#------------------------------------------------------------------------------ #$Date: 2024-02-17 05:12:43 +0200 (Sat, 17 Feb 2024) $ #$Revision: 289862 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/30/07/2300740.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2300740 loop_ _publ_author_name 'Shtender, Vitalii' 'Cedervall, Johan' 'Ek, Gustav' 'Zlotea, Claudia' 'Andersson, Mikael S.' 'Manuel, Pascal' 'Sahlberg, Martin' 'H\"aussermann, Ulrich' _publ_section_title ; Revisiting the hydrogenation behavior of NdGa and its hydride phases ; _journal_coeditor_code NB5371 _journal_issue 2 _journal_name_full 'Journal of Applied Crystallography' _journal_paper_doi 10.1107/S1600576724000554 _journal_volume 57 _journal_year 2024 _chemical_formula_sum 'Ga3 Nd3' _chemical_formula_weight 641.88 _space_group_crystal_system orthorhombic _space_group_IT_number 63 _space_group_name_Hall '-C 2c 2' _space_group_name_H-M_alt 'C m c m' _atom_sites_solution_primary 12 _audit_creation_method SHELXL-2019/1 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.332(2) _cell_length_b 12.264(2) _cell_length_c 4.1782(7) _cell_measurement_reflns_used 7329 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 39.415 _cell_measurement_theta_min 2.342 _cell_volume 631.91(18) _computing_structure_refinement 'SHELXL-2019/1 (Sheldrick, 2019)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.989 _diffrn_measurement_device_type 'Bruker D8' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0306 _diffrn_reflns_av_unetI/netI 0.0217 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.989 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 7 _diffrn_reflns_limit_l_min -7 _diffrn_reflns_number 7329 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.989 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 39.415 _diffrn_reflns_theta_min 2.342 _exptl_absorpt_coefficient_mu 36.650 _exptl_absorpt_correction_T_max 0.698 _exptl_absorpt_correction_T_min 0.641 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details SADABS _exptl_crystal_density_diffrn 6.747 _exptl_crystal_description needle _exptl_crystal_F_000 1092 _exptl_crystal_size_max 0.03 _exptl_crystal_size_mid 0.01 _exptl_crystal_size_min 0.01 _refine_diff_density_max 4.216 _refine_diff_density_min -3.410 _refine_diff_density_rms 0.521 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.080 _refine_ls_hydrogen_treatment undef _refine_ls_matrix_type full _refine_ls_number_parameters 21 _refine_ls_number_reflns 1070 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.080 _refine_ls_R_factor_all 0.0376 _refine_ls_R_factor_gt 0.0295 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0253P)^2^+17.8283P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0651 _refine_ls_wR_factor_ref 0.0683 _reflns_Friedel_coverage 0.000 _reflns_number_gt 919 _reflns_number_total 1070 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file nb5371sup1.cif _cod_data_source_block NdGaH1.6 _cod_original_cell_volume 631.93(19) _cod_database_code 2300740 _shelx_shelxl_version_number 2019/1 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; TITL NdGaHx_0ma_a.res in Cmcm NdGaHx_0ma.res created by SHELXL-2019/1 at 13:34:06 on 20-Sep-2021 CELL 0.71073 12.3323 12.2641 4.1782 90.000 90.000 90.000 ZERR 12.00 0.0020 0.0023 0.0007 0.000 0.000 0.000 LATT 7 SYMM x, -y, -z SYMM -x, y, -z+1/2 SYMM -x, -y, z+1/2 SFAC GA ND UNIT 12 12 LIST 4 TEMP 23.000 ACTA L.S. 4 FMAP 2 PLAN 12 BOND WGHT 0.025300 17.828299 FVAR 0.11928 ND1 2 0.330738 0.352880 0.250000 10.50000 0.00493 0.00808 = 0.00497 0.00000 0.00000 -0.00097 ND2 2 0.000000 0.336322 0.250000 10.25000 0.00459 0.00972 = 0.00465 0.00000 0.00000 0.00000 GA2 1 0.000000 0.059189 0.250000 10.25000 0.01022 0.00762 = 0.00562 0.00000 0.00000 0.00000 GA1 1 0.346749 0.058370 0.250000 10.50000 0.01495 0.00924 = 0.00551 0.00000 0.00000 -0.00143 HKLF 4 1 1 0 0 0 1 0 0 0 1 REM NdGaHx_0ma_a.res in Cmcm REM wR2 = 0.068349, GooF = S = 1.08013, Restrained GooF = 1.08013 for all data REM R1 = 0.029493 for 919 Fo > 4sig(Fo) and 0.037632 for all 1070 data REM 21 parameters refined using 0 restraints END WGHT 0.0253 17.8283 REM Highest difference peak 4.216, deepest hole -3.410, 1-sigma level 0.521 Q1 1 0.3003 0.0519 0.2500 10.50000 0.05 4.22 Q2 1 0.0000 0.3889 0.2500 10.25000 0.05 3.95 Q3 1 0.0000 0.3323 -0.2500 10.25000 0.05 3.18 Q4 1 0.3494 0.3196 0.2500 10.50000 0.05 2.60 Q5 1 0.1739 0.2574 0.2500 10.50000 0.05 2.32 Q6 1 0.1696 0.0419 0.2500 10.50000 0.05 2.30 Q7 1 0.3591 0.3801 0.2500 10.50000 0.05 2.26 Q8 1 0.3363 0.4362 0.2500 10.50000 0.05 2.20 Q9 1 0.4786 0.2508 0.2500 10.50000 0.05 2.09 Q10 1 0.0000 0.4573 0.2500 10.25000 0.05 2.00 Q11 1 0.3328 -0.0819 0.2500 10.50000 0.05 1.84 Q12 1 0.2095 0.0666 0.2500 10.50000 0.05 1.73 ; _shelx_res_checksum 56603 _shelx_hkl_file ; 0 -2 0 12.90 0.90 0 2 0 16.20 1.30 0 2 0 13.60 1.50 0 4 0 2454.65 45.60 0 -4 0 2418.56 44.50 0 4 0 2271.27 45.10 0 6 0 1053.19 21.90 0 -6 0 1036.30 20.50 0 -6 0 968.30 24.50 0 6 0 1029.30 21.30 0 -8 0 312.17 8.80 0 8 0 328.87 9.70 0 8 0 313.17 8.70 0 -8 0 325.17 12.60 0 -10 0 3756.22 71.39 0 -10 0 3666.53 77.89 0 10 0 3663.83 71.79 0 -12 0 82.49 5.70 0 -12 0 80.99 9.60 0 -14 0 656.83 24.40 0 -16 0 47.30 10.30 0 -18 0 60.19 11.90 0 -20 0 253.07 20.60 0 20 0 269.87 20.00 -1 -1 0 0.70 0.70 1 1 0 0.70 0.60 1 3 0 2.00 1.20 1 3 0 2.30 2.10 -1 3 0 1.30 0.70 -1 3 0 -0.20 0.90 -1 -3 0 2.60 1.00 1 -5 0 118.09 6.50 1 5 0 106.69 4.30 -1 5 0 101.89 3.70 -1 5 0 98.69 3.40 1 5 0 109.19 5.50 1 7 0 56.19 3.60 1 -7 0 53.89 6.10 1 7 0 58.69 5.20 -1 -7 0 54.59 2.90 -1 -7 0 48.70 3.50 -1 -7 0 56.49 6.00 1 -7 0 48.30 3.30 -1 7 0 50.49 2.80 -1 7 0 51.49 3.70 -1 9 0 83.99 3.70 -1 -9 0 91.19 5.00 1 9 0 97.79 6.40 -1 -9 0 97.09 8.00 1 -9 0 122.39 8.80 -1 -9 0 90.29 4.60 1 -9 0 89.69 4.60 -1 9 0 96.79 4.80 1 -11 0 203.08 12.20 1 -11 0 186.08 7.30 -1 -11 0 173.88 7.50 1 11 0 190.78 9.50 -1 -11 0 200.78 12.00 1 -13 0 5.30 3.10 -1 -13 0 11.80 6.10 1 -13 0 11.90 6.70 -1 -13 0 7.90 3.30 -1 -15 0 177.18 14.30 1 -15 0 186.58 15.00 -1 -17 0 104.89 13.40 1 -17 0 139.29 15.80 -1 19 0 18.10 8.90 1 -19 0 15.30 9.90 1 19 0 24.30 9.00 -1 -19 0 23.80 10.40 -1 -21 0 85.79 14.80 1 -21 0 98.29 15.80 1 21 0 117.69 15.60 -1 21 0 116.79 16.00 2 0 0 4.50 1.00 -2 0 0 4.60 1.10 2 2 0 4.40 1.40 -2 -2 0 4.70 1.60 2 4 0 57.69 4.70 -2 -4 0 54.49 3.10 2 4 0 53.19 3.30 -2 -6 0 4.90 2.80 -2 -6 0 2.90 1.80 2 6 0 3.50 3.00 2 6 0 4.90 1.70 2 -6 0 5.80 3.10 -2 -6 0 2.90 1.30 -2 -6 0 5.40 2.00 2 8 0 282.37 10.60 -2 -8 0 273.37 11.30 2 -8 0 264.37 7.80 -2 -8 0 265.57 8.40 -2 8 0 270.27 6.50 -2 -8 0 276.77 8.20 -2 -8 0 271.87 8.70 2 -8 0 283.97 11.90 -2 8 0 280.57 7.00 2 10 0 16.60 4.40 -2 -10 0 25.60 5.70 -2 -10 0 22.60 3.40 -2 -10 0 22.30 3.50 2 -10 0 21.20 3.10 2 -10 0 31.40 6.40 -2 -12 0 129.29 7.10 2 -12 0 127.99 12.00 2 -12 0 122.49 6.40 -2 -12 0 126.59 10.40 -2 -14 0 201.68 13.70 2 -14 0 180.08 14.00 2 -16 0 12.40 8.60 -2 -16 0 4.50 7.30 2 -18 0 240.88 18.50 -2 -18 0 207.08 17.70 -2 18 0 199.58 19.90 2 -20 0 51.49 12.70 -2 20 0 67.89 13.40 2 20 0 79.09 13.30 -2 -20 0 49.99 11.90 -3 -1 0 64.89 3.50 3 -1 0 69.49 2.60 3 1 0 67.49 3.20 -3 1 0 69.59 3.00 -3 -3 0 6254.87 115.09 3 3 0 6262.67 116.99 3 3 0 5989.00 115.09 3 -5 0 180.58 7.80 3 5 0 176.88 6.50 3 5 0 182.88 8.30 -3 -5 0 189.18 7.00 -3 -5 0 171.68 6.20 -3 -7 0 4988.20 96.09 -3 -7 0 5054.29 95.39 -3 -7 0 4861.21 97.79 3 -7 0 4975.30 99.09 3 -7 0 5006.50 93.89 -3 -7 0 5134.39 94.89 3 7 0 5161.78 98.59 3 9 0 52.59 6.20 3 -9 0 49.10 7.00 -3 -9 0 48.40 3.80 3 -9 0 45.60 3.70 -3 -9 0 51.29 4.90 -3 -9 0 53.39 4.70 -3 -9 0 46.80 6.00 3 -11 0 5.80 5.70 -3 -11 0 25.40 4.00 3 11 0 28.90 5.60 -3 -11 0 20.70 5.40 -3 -11 0 20.50 3.90 3 -11 0 13.10 3.00 3 -13 0 772.52 22.20 3 -13 0 757.72 26.40 -3 -13 0 726.73 19.70 -3 -13 0 740.23 24.10 -3 -15 0 195.28 14.30 3 -15 0 185.28 15.70 3 -17 0 778.52 31.10 -3 -17 0 724.13 28.20 3 -19 0 21.40 10.60 3 19 0 21.30 9.60 -3 19 0 25.20 10.40 -3 -19 0 21.60 10.30 3 -21 0 23.60 12.30 -3 21 0 9.60 9.80 4 0 0 12.50 1.70 -4 0 0 10.30 1.90 -4 -2 0 88.99 4.40 -4 2 0 87.89 3.40 4 -2 0 82.29 2.80 4 2 0 84.19 4.10 4 4 0 13.60 3.70 -4 -4 0 9.50 2.30 -4 -4 0 10.50 2.90 4 4 0 10.10 1.50 -4 -4 0 9.70 2.30 4 6 0 63.79 6.60 -4 -6 0 73.19 5.30 -4 -6 0 69.29 4.40 4 -6 0 68.59 3.70 -4 -6 0 75.29 4.50 4 -6 0 76.49 5.80 4 -8 0 67.69 4.00 -4 -8 0 69.79 5.40 4 -8 0 74.19 7.40 -4 -8 0 71.19 4.50 -4 -8 0 62.39 4.60 -4 -8 0 72.99 6.00 4 8 0 69.29 7.00 -4 -10 0 44.80 5.00 4 -10 0 46.50 6.90 -4 -10 0 47.20 6.50 4 10 0 41.00 6.60 4 -10 0 37.90 3.90 -4 -10 0 44.00 4.70 -4 -10 0 42.60 4.30 4 -12 0 179.98 12.50 4 -12 0 165.98 7.40 -4 -12 0 154.08 8.40 -4 -12 0 150.48 10.40 -4 -12 0 149.49 8.10 4 12 0 145.69 10.10 4 -14 0 144.59 14.20 -4 -14 0 157.88 12.10 4 -16 0 5.60 8.30 -4 -16 0 1.00 7.10 -4 -18 0 66.89 11.90 4 -18 0 74.89 13.00 -4 18 0 100.69 14.40 -4 20 0 76.09 14.40 4 -20 0 36.30 12.70 -5 -1 0 161.98 5.90 5 1 0 146.99 5.50 5 -1 0 138.99 4.70 5 1 0 136.59 4.90 -5 1 0 161.38 5.40 5 3 0 7.60 1.50 5 -3 0 5.00 1.00 -5 3 0 9.30 1.60 -5 -3 0 4.40 2.20 -5 -3 0 5.30 2.00 -5 -3 0 5.60 2.60 5 -3 0 5.90 1.60 5 3 0 5.20 3.40 -5 -5 0 147.29 6.30 -5 -5 0 132.29 5.80 5 5 0 120.59 4.50 5 5 0 137.09 8.70 5 -5 0 146.19 6.90 -5 -5 0 137.99 7.00 5 -5 0 135.89 4.90 5 -7 0 6.60 3.30 -5 -7 0 13.50 3.00 -5 -7 0 10.10 3.40 -5 -7 0 13.00 3.40 -5 -7 0 8.80 2.40 5 -7 0 8.60 2.10 5 7 0 9.30 4.20 -5 -9 0 8.20 3.40 5 -9 0 2.80 2.20 -5 -9 0 -1.10 1.80 5 -9 0 -2.20 3.90 -5 -9 0 1.90 3.30 -5 -9 0 5.70 2.90 5 9 0 -3.50 3.90 5 11 0 336.87 15.00 5 -11 0 375.66 16.50 -5 -11 0 343.57 13.90 -5 -11 0 360.26 12.30 5 -11 0 352.26 10.90 -5 -11 0 350.96 11.80 -5 -11 0 335.77 12.50 5 -13 0 18.20 7.10 -5 -13 0 17.00 5.90 -5 -13 0 18.00 4.70 -5 -13 0 14.80 4.60 5 -13 0 17.40 6.50 5 -15 0 265.17 17.80 -5 -15 0 249.78 15.20 5 -17 0 66.39 12.60 -5 17 0 81.79 12.90 5 -19 0 8.00 9.30 -5 19 0 6.60 8.50 5 -21 0 136.69 19.90 -5 21 0 134.79 19.40 6 0 0 8342.37 157.78 6 0 0 8686.03 156.98 -6 0 0 8487.45 158.08 6 -2 0 0.40 0.90 -6 2 0 1.60 1.40 -6 -2 0 0.60 2.50 6 2 0 1.50 1.20 6 2 0 0.10 2.90 6 -2 0 2.60 1.60 -6 -2 0 0.70 1.70 -6 -4 0 1653.23 35.30 6 -4 0 1700.83 33.10 -6 4 0 1661.03 32.00 -6 -4 0 1740.63 36.70 -6 -4 0 1643.04 34.60 6 -4 0 1650.93 33.20 6 -4 0 1625.54 34.80 6 -4 0 1590.44 31.70 6 4 0 1697.23 38.50 6 4 0 1661.53 33.00 6 -6 0 877.81 18.90 -6 -6 0 836.12 20.80 6 6 0 880.31 18.60 -6 -6 0 848.32 20.30 6 6 0 867.71 24.20 6 -6 0 811.52 21.40 -6 -6 0 829.32 22.00 -6 -8 0 166.38 7.80 6 8 0 158.88 5.80 6 -8 0 157.48 6.30 6 -8 0 161.28 9.20 -6 -8 0 150.68 7.60 -6 -8 0 158.88 7.60 6 8 0 156.58 10.70 -6 -8 0 155.48 8.70 -6 -10 0 2587.04 56.09 6 -10 0 2684.33 53.39 -6 -10 0 2687.43 56.79 -6 -10 0 2673.03 55.49 6 10 0 2636.34 59.89 -6 -10 0 2752.52 55.49 6 -10 0 2719.63 59.99 6 12 0 98.29 10.20 -6 -12 0 84.29 6.50 -6 -12 0 98.19 7.90 -6 -12 0 92.19 7.60 6 -12 0 92.79 6.20 6 -12 0 102.99 11.30 -6 -14 0 539.85 17.90 6 -14 0 537.65 23.60 -6 16 0 76.69 12.20 6 -16 0 51.19 11.60 -6 18 0 41.50 11.60 6 -18 0 29.40 11.30 -6 20 0 235.08 22.30 6 -20 0 177.88 19.40 7 1 0 49.99 5.80 -7 1 0 47.70 4.70 -7 -1 0 56.19 4.40 7 1 0 52.69 3.40 7 -1 0 52.29 5.20 7 -1 0 53.39 3.20 -7 1 0 58.19 4.00 7 -1 0 50.89 3.40 -7 -1 0 57.89 5.40 -7 -3 0 1.50 2.20 -7 -3 0 0.50 2.40 7 -3 0 3.60 1.70 7 3 0 4.10 3.50 -7 3 0 2.60 1.60 7 -3 0 0.70 2.20 7 3 0 3.30 1.50 7 -3 0 1.70 1.00 -7 -3 0 -2.70 2.20 7 -5 0 43.60 4.90 7 5 0 43.10 3.20 -7 -5 0 49.99 4.90 -7 -5 0 45.40 5.50 -7 -5 0 49.99 4.90 7 -5 0 43.90 2.30 7 -5 0 47.20 3.50 -7 5 0 44.50 2.20 7 -5 0 43.90 3.20 7 5 0 49.40 6.60 7 -7 0 53.69 6.30 -7 -7 0 49.10 5.10 7 7 0 48.10 3.60 7 -7 0 49.60 4.10 -7 -7 0 52.59 5.40 -7 -7 0 45.90 5.90 7 7 0 53.09 7.30 -7 -9 0 185.58 9.00 -7 -9 0 160.58 9.70 -7 -9 0 181.18 8.50 7 9 0 172.38 6.80 7 -9 0 231.58 11.50 7 -9 0 171.98 7.20 7 9 0 172.48 11.70 7 -11 0 65.39 5.30 7 -11 0 77.49 9.80 -7 -11 0 54.99 6.50 7 11 0 72.39 4.80 7 11 0 51.09 8.10 -7 -11 0 66.99 5.80 -7 -11 0 64.19 7.10 -7 -13 0 2.20 4.50 -7 -13 0 -4.60 4.20 7 13 0 3.10 2.70 7 -13 0 -1.50 6.50 -7 -15 0 63.69 7.90 -7 15 0 88.09 12.30 7 -15 0 93.79 13.00 -7 17 0 123.99 15.70 7 -17 0 90.89 14.30 7 -19 0 -8.40 9.10 -7 19 0 40.00 10.90 8 0 0 55.89 6.10 8 0 0 52.49 3.70 -8 0 0 52.79 4.10 -8 0 0 50.79 5.10 8 -2 0 31.30 3.30 8 2 0 29.50 3.10 -8 -2 0 35.00 4.10 -8 2 0 32.40 3.80 8 -2 0 33.30 4.40 -8 2 0 37.30 3.30 8 2 0 33.80 5.60 -8 -2 0 33.90 4.70 -8 4 0 86.79 3.80 8 -4 0 88.09 4.50 8 -4 0 78.79 3.50 -8 -4 0 68.59 6.50 8 -4 0 76.49 5.50 -8 -4 0 93.99 5.70 8 4 0 80.09 4.40 -8 4 0 84.49 5.30 8 -4 0 85.99 5.20 8 4 0 86.99 7.80 -8 -4 0 83.49 6.00 -8 -6 0 12.20 3.70 8 -6 0 17.00 4.20 -8 -6 0 18.30 3.80 -8 -6 0 8.30 3.90 8 6 0 12.90 2.60 8 -6 0 19.40 3.00 8 6 0 20.40 5.60 8 8 0 452.85 18.50 8 8 0 505.25 13.10 -8 -8 0 470.75 15.20 -8 -8 0 481.35 16.80 8 -8 0 469.35 13.20 -8 -8 0 505.65 15.30 8 -8 0 497.25 16.90 8 10 0 -1.60 2.00 8 -10 0 1.30 4.70 8 -10 0 3.30 2.80 -8 -10 0 -4.10 3.80 -8 -10 0 -1.10 2.40 8 10 0 6.50 5.10 -8 -10 0 10.30 4.30 8 -12 0 58.39 9.50 -8 -12 0 57.39 7.50 8 -12 0 71.29 6.30 -8 -12 0 59.79 7.20 8 12 0 70.29 5.40 -8 14 0 131.89 14.30 8 -14 0 146.79 14.70 -8 -14 0 153.28 10.90 -8 16 0 16.70 8.80 8 -16 0 7.60 9.10 -8 -16 0 11.40 6.10 8 16 0 27.00 6.50 -8 18 0 276.37 19.70 8 -18 0 275.37 21.00 -8 20 0 47.00 12.20 8 -20 0 21.50 11.70 9 -1 0 119.09 7.50 -9 -1 0 115.59 6.00 9 1 0 113.79 8.10 9 -1 0 119.69 5.60 9 1 0 123.59 5.60 -9 -1 0 112.79 7.00 -9 1 0 123.99 6.70 -9 1 0 125.69 5.70 -9 -3 0 3139.69 65.09 9 -3 0 3155.38 61.59 9 3 0 3267.37 67.59 -9 -3 0 3151.58 63.39 9 -3 0 3148.89 63.49 -9 3 0 3054.39 61.59 9 3 0 3129.49 61.39 -9 3 0 3129.89 60.89 9 -3 0 3239.98 61.59 -9 3 0 3085.39 61.49 9 5 0 80.79 4.80 9 -5 0 72.79 4.80 -9 -5 0 75.99 7.30 9 5 0 87.19 9.30 -9 5 0 69.69 5.50 -9 -5 0 84.79 6.00 -9 -5 0 81.89 7.10 9 -5 0 77.69 6.60 9 -7 0 2592.14 52.59 9 -7 0 2575.84 55.69 -9 -7 0 2699.73 57.39 -9 7 0 2581.14 56.29 9 7 0 2614.14 59.89 -9 -7 0 2616.34 55.19 9 7 0 2671.83 52.59 -9 -7 0 2605.34 54.99 9 -9 0 134.99 6.90 9 9 0 152.48 6.80 9 9 0 135.79 11.50 -9 9 0 136.59 9.90 -9 -9 0 124.99 8.20 -9 -9 0 109.09 8.40 9 -9 0 127.19 9.70 -9 -9 0 129.49 10.00 9 11 0 47.40 4.90 -9 -11 0 54.39 7.70 -9 -11 0 41.30 6.70 9 -11 0 47.60 5.40 -9 11 0 43.20 8.30 9 -11 0 27.20 7.20 9 -13 0 579.14 23.60 -9 -13 0 536.95 19.30 -9 -13 0 559.64 20.30 -9 13 0 556.44 23.00 9 13 0 567.34 16.00 -9 -15 0 120.69 11.10 9 -15 0 100.49 13.30 -9 15 0 141.79 16.00 -9 17 0 418.46 22.50 9 -17 0 426.96 24.10 -9 19 0 33.10 11.50 9 -19 0 -1.70 10.40 -10 0 0 5.30 3.20 -10 0 0 -0.70 1.90 10 0 0 4.00 2.40 10 0 0 3.90 3.60 10 -2 0 75.99 5.00 -10 -2 0 85.69 5.80 -10 2 0 76.09 4.60 10 2 0 78.19 5.10 -10 -2 0 69.99 6.80 -10 2 0 78.29 5.70 10 2 0 68.99 7.80 10 4 0 4.00 2.40 -10 -4 0 1.10 3.50 10 4 0 0.70 4.30 10 -4 0 -2.00 2.10 -10 -4 0 1.50 2.40 10 6 0 90.49 9.80 -10 -6 0 88.59 8.40 10 -6 0 84.89 5.60 10 -6 0 101.49 7.40 -10 6 0 76.09 6.30 -10 -6 0 94.19 6.80 10 6 0 94.99 5.70 10 -8 0 11.50 3.30 -10 8 0 12.90 5.00 -10 -8 0 12.10 4.90 10 -8 0 11.50 5.00 10 8 0 16.60 3.40 -10 -8 0 23.40 5.90 10 -10 0 28.70 6.90 -10 -10 0 36.10 6.70 10 -10 0 33.10 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1 4 41.70 6.20 5 -1 -4 48.70 4.70 -5 -1 4 45.30 7.30 5 1 4 39.80 6.00 -5 1 -4 41.90 6.80 5 1 -4 57.49 7.40 5 -1 4 45.00 6.20 -5 -1 -4 50.59 5.50 5 -1 4 51.69 6.50 -5 -1 -4 45.50 6.90 -5 1 4 45.90 7.60 -5 3 -4 7.80 5.00 5 -3 -4 3.80 4.10 -5 -3 4 5.00 4.80 5 -3 -4 1.90 2.60 5 3 4 -2.30 4.10 -5 3 4 -2.40 5.70 5 -3 4 7.00 4.00 5 -3 4 -2.40 2.90 -5 -3 -4 0.00 2.60 5 3 -4 11.20 4.90 -5 -3 -4 -6.60 4.00 -5 5 -4 72.09 8.20 5 -5 -4 59.69 6.20 5 5 4 75.09 7.90 5 -5 -4 60.39 7.10 -5 -5 4 54.59 7.80 -5 5 4 60.49 8.90 -5 -5 -4 55.69 8.20 -5 -5 -4 70.09 7.20 5 5 -4 71.29 8.70 5 -5 4 65.99 7.90 -5 -7 4 1.50 4.60 -5 7 -4 10.50 5.30 5 -7 -4 4.70 3.70 5 7 4 13.40 7.50 -5 -7 -4 9.00 5.60 -5 7 4 14.40 6.90 5 -7 4 8.00 5.00 -5 -7 -4 3.40 3.90 5 7 -4 4.10 5.10 -5 -9 4 -2.00 5.00 5 -9 -4 1.00 3.90 -5 9 -4 -2.50 5.00 -5 -9 -4 -1.40 5.30 -5 -9 -4 8.70 4.90 5 9 -4 -7.20 4.40 5 -9 4 -4.20 4.80 -5 9 4 -1.00 7.70 -5 -11 4 183.68 14.10 5 -11 -4 167.88 11.10 -5 -11 -4 197.68 12.30 -5 -11 -4 191.38 15.30 -5 11 4 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24.90 8.10 -9 -11 -4 13.90 8.80 9 11 -4 2.50 7.20 -9 11 4 38.20 11.60 9 -13 -4 293.77 16.20 9 -13 4 344.07 20.90 -9 13 4 330.77 22.70 -9 -13 -4 314.77 18.00 -9 -13 -4 310.97 20.30 9 13 -4 296.77 18.80 9 -15 -4 84.99 11.10 9 -15 4 52.89 12.30 -9 -15 -4 48.70 10.40 9 15 -4 42.60 11.50 -9 15 4 63.59 15.60 10 0 -4 1.20 3.70 -10 0 -4 2.60 5.50 -10 0 4 -5.30 5.30 10 0 -4 2.60 5.20 -10 -2 4 30.60 6.70 -10 2 -4 42.80 8.20 10 -2 -4 44.80 11.30 10 -2 -4 47.50 6.10 10 2 4 36.90 4.70 10 2 -4 42.90 8.00 -10 -2 -4 32.40 6.10 -10 2 4 37.50 8.40 -10 -2 -4 56.19 9.20 10 4 4 2.10 2.70 -10 4 -4 3.80 5.20 -10 -4 4 -0.60 4.90 10 -4 -4 0.40 3.60 -10 -4 -4 -5.20 5.60 -10 4 4 -8.50 6.30 10 4 -4 13.60 6.50 -10 -4 -4 -0.60 4.10 10 -6 -4 46.60 6.60 10 6 4 45.20 5.40 10 6 -4 55.69 9.90 -10 6 4 31.50 9.20 -10 -6 -4 38.20 7.10 -10 -6 -4 44.70 9.60 10 -8 -4 8.80 5.30 10 8 4 10.70 3.60 -10 -8 -4 11.10 6.10 10 8 -4 5.10 7.70 -10 -8 -4 9.30 8.00 -10 8 4 8.80 8.50 10 -10 -4 9.60 5.90 10 10 4 4.40 3.60 10 10 -4 -0.20 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637.44 27.90 -12 -10 -4 717.23 30.90 12 -12 -4 62.69 9.80 12 12 4 70.99 8.20 -12 -12 -4 62.29 11.00 -12 12 4 42.90 12.90 12 12 -4 54.39 13.70 -12 -12 -4 48.20 11.20 -12 -14 -4 178.08 21.60 13 -1 -4 24.10 5.90 -13 1 -4 21.80 8.20 -13 -1 -4 23.30 8.60 13 1 -4 21.90 8.10 13 -3 -4 3.80 4.70 13 3 4 5.70 3.60 -13 3 -4 14.00 7.40 13 3 -4 18.50 7.90 -13 -3 -4 11.70 8.20 13 5 4 6.80 3.80 13 -5 -4 17.10 6.10 -13 -5 -4 9.50 6.20 -13 -5 -4 7.00 8.40 13 5 -4 -4.80 7.60 13 7 4 4.20 3.40 13 -7 -4 8.30 5.50 13 7 -4 -6.80 8.60 -13 -7 -4 13.80 6.90 -13 7 4 0.60 8.50 -13 -7 -4 -1.30 7.70 13 9 4 59.79 7.40 13 -9 -4 58.59 9.00 -13 -9 -4 60.89 10.00 -13 -9 -4 43.80 11.10 -13 9 4 63.09 12.20 13 9 -4 50.89 12.40 13 -11 -4 16.60 7.00 13 11 4 16.40 5.30 -13 -11 -4 14.00 9.30 -13 11 4 4.60 10.00 13 11 -4 9.80 10.90 -13 -11 -4 25.00 8.80 -13 13 4 -12.10 10.40 -13 -13 -4 5.00 10.90 14 0 -4 15.10 5.80 -14 0 -4 29.90 9.30 14 -2 -4 21.60 6.30 14 2 4 18.10 4.70 -14 2 -4 17.20 8.40 -14 -2 -4 22.90 9.30 14 2 -4 13.00 8.20 14 -4 -4 25.60 6.80 14 4 4 31.70 5.70 14 4 -4 48.30 10.50 -14 -4 -4 18.50 8.80 14 6 4 20.90 5.40 14 -6 -4 22.50 7.00 -14 -6 -4 13.60 9.20 -14 -6 -4 15.60 7.70 14 6 -4 -5.60 8.60 14 8 4 220.68 11.80 14 -8 -4 235.68 14.00 14 8 -4 200.98 20.00 -14 -8 -4 177.88 18.10 -14 -8 -4 218.48 15.60 14 -10 -4 2.80 6.10 14 10 4 4.80 4.60 -14 -10 -4 11.20 7.80 14 10 -4 -23.50 8.80 -14 -10 -4 4.80 8.00 -14 12 4 5.40 13.00 -15 1 -4 117.19 14.60 15 -1 -4 126.09 11.40 -15 -1 -4 109.19 14.80 15 -3 -4 690.83 23.60 15 3 4 720.53 21.40 15 3 -4 685.83 27.30 -15 -3 -4 667.83 29.90 15 -5 -4 15.20 6.70 15 5 4 7.80 4.90 15 5 -4 12.30 9.40 -15 -5 -4 26.50 10.10 15 7 4 577.94 19.50 15 -7 -4 565.74 21.70 -15 -7 -4 569.24 23.80 15 7 -4 521.55 27.40 -15 -7 -4 592.54 28.00 15 -9 -4 121.59 12.60 15 9 4 110.09 10.20 15 9 -4 75.69 15.90 -15 -9 -4 96.49 14.40 -15 -9 -4 149.99 15.20 -16 0 -4 14.60 9.20 16 0 -4 -1.10 6.30 16 -2 -4 10.00 6.60 16 2 4 22.70 5.80 -16 -2 -4 25.90 10.30 16 -4 -4 -0.50 5.90 16 4 4 8.50 4.90 -16 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7.10 -11 -3 5 12.60 7.00 -11 3 -5 11.10 7.20 11 3 -5 -11.20 7.50 -11 -3 -5 18.90 8.10 -11 3 5 8.80 8.20 -11 5 -5 69.59 12.20 11 5 5 75.19 7.30 11 -5 -5 81.39 9.30 -11 -5 -5 70.09 12.00 11 5 -5 85.19 14.00 -11 5 5 94.29 13.30 -11 -5 -5 77.39 9.70 11 -7 -5 48.30 8.20 11 7 5 67.99 7.20 -11 -7 -5 67.79 9.90 -11 -7 -5 59.69 12.10 11 7 -5 56.79 13.00 -11 7 5 46.20 11.90 11 9 5 60.19 7.10 11 -9 -5 76.49 9.80 -11 -9 -5 79.99 11.40 11 9 -5 83.29 15.90 -11 9 5 54.39 13.10 -11 -9 -5 70.69 13.40 11 -11 -5 19.90 7.60 11 11 5 16.60 5.10 -11 -11 -5 15.00 9.50 11 11 -5 4.20 11.50 -11 11 5 11.50 10.90 -11 -11 -5 19.10 8.10 -12 0 -5 1.20 7.30 -12 2 -5 387.56 21.00 12 2 -5 395.06 21.90 -12 -2 -5 404.96 22.30 -12 2 5 424.46 20.10 -12 4 -5 494.05 23.40 12 -4 -5 484.55 18.90 12 4 -5 539.75 25.90 -12 -4 -5 531.15 25.80 -12 4 5 515.25 23.10 12 6 5 280.67 12.50 12 -6 -5 288.67 14.90 -12 -6 -5 297.27 20.90 -12 6 5 264.07 19.00 -12 -6 -5 292.87 16.20 12 6 -5 272.87 21.90 12 8 5 350.26 14.50 12 -8 -5 382.16 17.60 12 8 -5 400.66 25.60 -12 8 5 335.77 21.70 -12 -8 -5 376.26 24.00 -12 -8 -5 388.66 19.40 12 -10 -5 -0.60 5.70 12 10 5 2.10 3.80 -12 -10 -5 -2.00 8.60 12 10 -5 1.20 11.90 -12 -10 -5 -8.10 6.50 -12 10 5 -9.40 9.50 -13 1 -5 3.30 7.50 -13 -1 -5 0.60 7.30 -13 3 -5 3.50 7.50 13 3 -5 17.70 10.00 -13 -3 -5 11.20 8.80 13 -5 -5 29.20 6.90 -13 5 5 12.10 11.60 -13 -5 -5 26.00 10.10 13 5 -5 9.10 10.50 13 7 5 6.80 4.20 13 -7 -5 7.20 6.40 -13 -7 -5 6.60 7.10 -13 7 5 13.40 10.50 -13 -7 -5 -1.20 9.00 13 7 -5 0.00 11.60 13 -9 -5 5.80 6.70 13 9 5 -1.00 3.90 -13 9 5 -11.10 10.00 -13 -9 -5 4.60 7.10 -13 -9 -5 17.80 10.70 13 9 -5 -3.70 11.90 -14 0 -5 -6.40 7.10 -14 2 -5 65.29 12.40 14 2 -5 71.59 16.90 -14 -2 -5 61.29 12.40 14 -4 -5 63.79 9.70 -14 -4 -5 52.99 12.60 14 4 -5 35.40 12.00 14 -6 -5 0.00 5.80 14 6 5 -0.90 4.00 14 6 -5 0.20 11.00 -14 -6 -5 3.20 9.30 -14 -6 -5 6.40 7.10 14 8 5 6.40 4.90 14 -8 -5 6.90 9.70 -14 -8 -5 8.10 7.70 -15 1 -5 417.86 24.30 -15 -1 -5 410.36 24.40 -15 -3 -5 74.89 13.50 15 3 -5 71.79 16.90 15 -5 -5 319.17 16.90 -15 -5 -5 302.87 22.80 15 5 -5 282.47 23.60 -16 0 -5 2.70 9.10 -16 -2 -5 -0.80 10.50 0 0 -6 1846.12 49.40 0 0 6 1877.21 49.00 0 -2 6 -4.50 5.90 0 -2 -6 -2.00 6.40 0 2 6 2.30 6.90 0 2 -6 3.00 6.90 0 4 6 427.16 21.20 0 4 -6 433.16 20.90 0 -4 -6 422.16 20.80 0 -4 6 422.66 20.40 0 6 6 257.17 17.80 0 6 -6 236.78 17.30 0 -6 -6 250.07 17.00 0 -6 6 254.27 16.50 0 -8 6 39.80 10.10 0 -8 -6 47.80 8.20 0 8 -6 56.99 11.50 0 8 6 44.20 10.90 0 10 6 833.42 32.50 0 10 -6 881.41 31.90 0 -10 6 839.02 33.10 0 -10 -6 820.52 27.20 0 12 -6 23.80 9.90 0 -12 -6 31.60 8.00 0 12 6 26.60 12.10 0 -12 6 38.00 11.20 -1 -1 6 3.00 6.20 1 1 6 -1.60 6.00 -1 1 -6 -0.90 6.00 1 -1 -6 3.40 6.70 1 1 -6 0.30 6.60 1 -1 6 0.20 6.20 -1 -1 -6 -2.10 6.30 -1 1 6 -3.70 6.30 1 3 6 4.90 7.00 -1 -3 6 -0.50 5.50 -1 3 -6 4.10 7.00 1 -3 -6 -5.40 6.10 -1 -3 -6 6.80 7.30 1 3 -6 -2.80 6.70 1 -3 6 4.40 5.80 -1 3 6 -10.10 6.40 1 -5 -6 31.20 8.80 1 5 6 13.50 8.60 -1 5 -6 22.60 8.50 -1 -5 6 9.00 6.90 -1 -5 -6 16.70 7.90 1 -5 6 12.60 6.70 -1 5 6 35.10 9.90 1 5 -6 20.80 8.90 1 7 6 19.20 9.00 1 -7 -6 12.60 10.40 -1 -7 6 5.10 6.00 -1 7 -6 8.90 7.50 1 -7 6 13.60 7.10 -1 -7 -6 12.60 7.30 1 7 -6 14.60 9.10 -1 7 6 13.80 9.00 1 -9 -6 25.00 7.10 1 9 6 30.70 10.10 -1 9 -6 9.80 8.40 -1 -9 6 21.70 9.00 1 -9 6 22.80 8.80 1 9 -6 30.00 10.20 -1 9 6 15.90 11.10 -1 -9 -6 29.80 7.10 -1 11 -6 38.90 10.10 1 11 6 46.40 11.80 1 -11 -6 51.49 8.60 -1 -11 6 42.20 11.00 1 11 -6 47.90 11.20 1 -11 6 52.19 11.90 -1 11 6 66.39 14.00 -1 -11 -6 49.99 9.00 1 13 6 13.70 14.00 1 13 -6 4.00 12.60 2 0 6 2.00 6.10 2 0 -6 4.10 7.20 -2 0 -6 -1.20 6.10 -2 0 6 -3.70 6.10 2 -2 -6 -2.00 6.00 2 2 6 -4.00 5.90 -2 -2 6 0.30 6.50 -2 2 -6 -1.10 6.40 2 -2 6 1.70 5.90 -2 2 6 2.60 7.20 -2 -2 -6 4.40 6.90 2 2 -6 -8.50 5.90 2 4 6 20.80 7.90 -2 4 -6 -1.00 6.80 2 -4 -6 7.50 7.00 -2 -4 6 8.40 6.60 -2 4 6 7.90 8.70 2 4 -6 15.50 8.00 -2 -4 -6 6.80 7.30 2 -4 6 8.10 6.40 -2 6 -6 6.50 7.60 2 6 6 -8.50 7.40 2 -6 -6 3.10 6.50 -2 -6 6 8.40 7.00 2 -6 6 6.80 6.50 2 6 -6 2.10 7.70 -2 -6 -6 12.40 7.40 -2 6 6 14.30 9.00 -2 -8 6 57.69 11.20 2 -8 -6 56.19 8.50 2 8 6 59.99 11.70 -2 8 -6 58.89 11.20 -2 -8 -6 56.99 10.60 -2 8 6 41.30 12.00 -2 -8 -6 69.39 9.10 2 -8 6 57.09 10.80 2 8 -6 66.59 12.10 -2 -10 6 10.90 8.10 2 -10 -6 6.60 5.60 -2 10 -6 4.10 8.20 2 10 6 -1.70 8.50 2 10 -6 0.60 8.00 -2 10 6 -16.80 9.60 2 -10 6 2.80 6.90 -2 -10 -6 9.20 6.50 -2 -12 6 17.80 9.60 2 -12 -6 36.00 8.20 2 12 -6 32.70 10.60 2 -12 6 36.40 11.10 -2 12 6 41.10 14.00 -2 -12 -6 18.50 7.60 -3 -1 6 26.20 8.60 3 -1 -6 43.90 9.80 3 1 6 50.19 9.50 -3 1 -6 35.70 9.40 -3 1 6 57.59 10.80 3 -1 6 38.00 8.40 -3 -1 -6 27.80 8.60 3 1 -6 37.70 9.80 3 -3 -6 1109.39 34.30 -3 -3 6 1053.49 34.40 3 3 6 1051.89 33.10 -3 3 -6 1115.99 35.40 3 -3 6 1032.20 33.20 3 3 -6 1072.69 35.10 -3 3 6 1053.19 35.30 -3 -3 -6 1125.59 35.60 -3 5 -6 37.80 9.60 -3 -5 6 17.20 8.30 3 -5 -6 29.70 8.20 3 5 6 43.70 9.30 3 5 -6 26.40 9.30 3 -5 6 22.60 7.80 -3 -5 -6 48.00 10.00 -3 5 6 16.00 9.60 -3 -7 6 1007.30 34.30 3 7 6 956.90 32.30 -3 7 -6 987.00 33.80 -3 -7 -6 1015.00 34.10 3 7 -6 959.30 33.90 3 -7 6 963.40 33.60 -3 7 6 942.41 35.00 -3 9 -6 39.70 10.40 3 -9 -6 46.90 8.40 -3 -9 6 9.20 7.90 -3 -9 -6 29.50 7.50 3 9 -6 46.30 11.10 3 -9 6 30.00 9.60 -3 -9 -6 36.00 9.50 -3 9 6 29.80 12.30 -3 -11 6 16.80 9.10 3 -11 -6 5.30 6.20 -3 11 6 -6.60 11.40 -3 -11 -6 9.60 6.50 3 -11 6 0.50 8.10 3 11 -6 -5.10 7.90 -4 0 -6 0.90 6.60 4 0 6 -2.80 5.40 -4 0 6 -1.10 6.60 4 0 -6 -3.00 6.50 4 -2 -6 1.10 7.30 4 2 6 15.70 6.90 -4 2 -6 11.40 7.70 -4 -2 6 17.40 8.00 -4 -2 -6 15.70 8.00 4 2 -6 4.30 7.70 -4 2 6 12.20 8.40 4 -2 6 13.50 6.60 4 4 6 1.60 6.30 -4 4 -6 -7.40 6.40 -4 -4 6 4.40 6.90 4 -4 -6 2.70 6.90 -4 4 6 4.90 8.90 4 -4 6 4.70 5.70 -4 -4 -6 4.10 7.00 4 4 -6 -7.30 7.40 -4 6 -6 20.50 8.70 -4 -6 6 18.10 8.00 -4 -6 -6 12.60 7.80 4 -6 6 12.80 7.20 -4 6 6 19.10 9.40 4 6 -6 9.10 8.30 -4 8 -6 33.80 10.00 -4 -8 6 20.30 8.70 4 -8 -6 14.20 6.20 4 -8 6 25.50 8.20 4 8 -6 18.80 10.10 -4 8 6 6.40 11.20 -4 -8 -6 17.40 8.40 -4 -8 -6 8.40 5.80 -4 -10 6 9.50 8.50 -4 10 -6 19.20 14.10 4 -10 -6 8.70 6.10 -4 10 6 -4.00 11.40 4 10 -6 -1.30 8.70 -4 -10 -6 5.40 5.90 -4 -10 -6 18.10 9.30 4 -10 6 -0.30 6.70 -4 -12 6 60.29 14.60 4 -12 -6 57.89 10.60 -4 12 6 80.09 21.40 4 -12 6 39.30 13.90 -4 -12 -6 35.90 8.80 4 12 -6 25.20 12.30 -5 -1 6 24.80 8.70 5 -1 -6 10.10 7.70 5 1 6 21.00 7.20 -5 1 -6 20.20 8.50 5 1 -6 7.80 8.00 5 -1 6 14.20 6.30 -5 1 6 17.60 8.30 -5 -1 -6 25.60 8.70 -5 3 -6 3.10 6.90 -5 -3 6 2.50 6.60 5 -3 -6 7.40 7.30 -5 -3 -6 6.10 7.10 5 3 -6 -6.00 7.00 5 -3 6 10.70 6.50 -5 3 6 3.00 8.50 -5 -5 6 30.70 9.10 -5 5 -6 41.20 9.80 -5 5 6 28.20 11.00 -5 -5 -6 33.90 9.20 5 -5 6 18.10 7.30 5 5 -6 9.20 8.70 -5 7 -6 -6.80 6.90 -5 -7 6 -3.80 6.20 -5 7 6 10.00 10.30 5 7 -6 -11.40 7.70 5 -7 6 6.90 6.80 -5 -7 -6 -5.90 6.20 -5 -9 6 5.50 7.70 -5 9 -6 5.40 7.70 5 -9 -6 0.30 5.50 -5 9 6 -12.80 10.50 -5 -9 -6 -7.90 7.00 5 9 -6 6.20 9.30 -5 -9 -6 7.40 6.10 5 -9 6 7.70 7.00 5 -11 -6 83.69 10.80 -5 -11 6 83.39 13.40 5 -11 6 95.19 14.40 5 11 -6 92.09 14.30 -5 11 6 101.59 17.50 -5 -11 -6 90.29 11.50 -6 0 -6 1427.86 43.00 -6 0 6 1511.55 43.10 6 0 -6 1438.06 42.10 -6 2 -6 -6.30 6.30 6 -2 -6 6.40 6.90 -6 -2 6 7.70 7.00 -6 2 6 17.00 9.20 6 -2 6 1.70 5.20 -6 -2 -6 -3.50 6.20 6 2 -6 -2.40 7.60 -6 -4 6 362.36 19.50 -6 4 -6 382.46 20.50 -6 4 6 368.26 21.30 6 4 -6 349.87 20.70 -6 -4 -6 319.27 19.70 6 -4 6 350.16 18.40 -6 6 -6 235.88 17.40 -6 -6 6 253.87 16.80 -6 6 6 248.48 19.10 -6 -6 -6 238.48 17.80 6 6 -6 244.38 19.00 6 -6 6 244.28 16.10 6 -8 -6 30.60 7.10 -6 8 -6 29.50 9.80 -6 -8 6 32.20 9.60 6 -8 6 31.90 9.40 -6 8 6 27.20 12.70 -6 -8 -6 26.50 9.80 6 8 -6 40.00 11.90 6 -10 -6 681.53 24.50 -6 -10 6 738.03 29.60 -6 -10 -6 691.43 25.70 6 10 -6 668.53 29.90 -6 -10 -6 691.23 30.20 -6 10 6 686.23 32.90 6 -10 6 686.33 29.90 -7 -1 6 15.40 8.20 -7 1 -6 15.80 8.20 7 -1 -6 8.80 8.00 -7 1 6 7.60 8.30 -7 -1 -6 12.80 7.80 7 1 -6 17.30 8.70 -7 3 -6 -4.50 6.20 -7 -3 6 7.60 7.40 7 3 -6 -5.10 8.00 -7 3 6 -5.60 8.20 -7 -3 -6 -1.10 6.80 -7 5 -6 4.80 7.80 -7 -5 6 13.60 7.60 -7 5 6 24.60 10.20 -7 -5 -6 14.70 8.00 7 5 -6 12.30 8.60 -7 7 -6 -1.80 7.30 -7 -7 6 8.90 7.30 7 7 -6 1.70 9.30 -7 -7 -6 -0.20 7.60 -7 7 6 2.50 11.50 7 -7 6 10.70 7.20 -7 -9 6 34.10 9.10 7 -9 -6 40.30 8.20 7 -9 6 39.90 9.70 -7 -9 -6 52.09 12.00 7 9 -6 62.39 13.50 -7 9 6 27.70 13.10 -7 -9 -6 44.10 9.10 -7 -11 -6 23.00 12.60 7 -11 6 27.40 16.00 -8 0 6 11.20 7.80 -8 0 -6 2.30 7.50 8 0 -6 13.10 8.50 -8 2 -6 16.00 7.70 -8 -2 6 -0.20 6.80 8 -2 -6 13.40 9.50 -8 2 6 8.30 8.80 -8 -2 -6 2.40 7.20 8 2 -6 1.20 8.00 -8 4 -6 24.70 8.90 -8 -4 6 23.00 8.30 -8 -4 -6 8.40 7.80 -8 4 6 18.00 10.60 8 4 -6 27.90 10.50 -8 -6 6 8.10 6.90 -8 6 -6 1.80 7.70 -8 6 6 3.40 10.30 -8 -6 -6 3.20 7.70 8 6 -6 -3.50 9.90 -8 -8 6 112.99 13.20 8 -8 -6 106.09 11.00 -8 8 6 105.59 16.60 -8 -8 -6 93.29 14.50 8 8 -6 115.39 16.40 8 -10 -6 11.10 7.80 8 10 6 6.50 3.60 -8 -10 6 16.00 9.00 -8 -10 -6 2.90 10.20 -8 -10 -6 -2.00 6.40 -9 -1 6 76.69 11.70 -9 1 -6 49.80 10.60 9 -1 -6 48.00 10.60 -9 -1 -6 58.29 11.80 9 1 -6 54.99 11.30 -9 1 6 61.79 11.70 -9 3 -6 716.13 29.30 -9 -3 6 741.73 28.40 9 3 -6 812.12 31.50 -9 -3 -6 754.22 30.50 -9 3 6 784.22 30.20 -9 -5 6 32.10 8.60 -9 5 -6 8.40 7.70 -9 5 6 39.00 11.50 -9 -5 -6 27.10 9.90 9 5 -6 7.30 10.50 -9 -7 6 607.84 25.90 9 7 -6 680.23 30.80 -9 -7 -6 637.14 29.60 -9 7 6 677.13 29.80 9 -9 -6 64.39 9.50 -9 -9 6 62.79 11.70 9 9 6 71.29 7.90 -9 -9 -6 54.29 14.00 -9 -9 -6 39.70 9.40 -9 9 6 37.60 21.20 10 0 -6 -5.30 8.30 -10 0 6 14.00 7.90 -10 0 -6 2.40 7.30 -10 2 -6 23.20 9.10 -10 -2 6 27.40 8.60 -10 2 6 17.40 8.90 -10 -2 -6 18.50 8.90 10 2 -6 26.10 10.40 -10 -4 6 5.40 6.70 -10 4 -6 -8.90 6.40 -10 -4 -6 -1.60 7.50 10 4 -6 9.00 10.00 -10 4 6 -0.40 9.00 -10 -6 6 8.60 7.00 10 6 -6 13.20 11.70 -10 -6 -6 24.80 10.00 -10 6 6 18.10 11.30 10 -8 -6 0.70 5.90 -10 8 6 10.50 15.10 -11 1 -6 47.90 10.50 -11 -1 6 33.50 9.10 -11 1 6 47.60 10.60 -11 -1 -6 39.20 10.80 11 1 -6 52.49 12.00 -11 3 -6 14.90 8.60 -11 -3 6 22.50 7.80 -11 -3 -6 5.90 8.00 -11 3 6 4.60 9.20 11 3 -6 -2.70 9.60 -11 -5 -6 26.00 10.20 11 5 -6 26.80 12.20 -11 5 6 23.50 11.00 -12 0 -6 745.93 31.30 -12 2 -6 3.90 8.20 -12 2 6 31.10 10.00 12 2 -6 6.70 10.10 -12 -2 -6 14.60 9.10 -12 4 -6 290.07 21.70 -12 -4 -6 271.57 29.40 12 4 -6 298.97 24.70 -12 4 6 272.17 19.40 0 0 7 9.40 7.70 0 0 -7 15.80 8.60 0 -2 -7 248.68 18.80 0 -2 7 249.97 17.70 0 2 -7 278.97 20.10 0 2 7 268.07 18.30 0 4 -7 614.44 28.10 0 4 7 617.84 27.00 0 -4 -7 583.24 27.00 0 -4 7 603.84 26.70 0 6 -7 365.86 22.90 0 6 7 362.46 21.60 0 -6 7 351.86 20.70 0 -6 -7 307.87 20.10 -1 -1 7 1.20 7.20 -1 1 -7 6.40 8.30 1 1 7 10.70 7.60 1 -1 -7 3.90 7.80 1 1 -7 1.80 8.30 1 -1 7 4.10 6.80 -1 1 7 7.00 7.50 -1 -1 -7 13.30 8.90 -1 3 -7 2.10 8.30 1 -3 -7 10.50 8.10 -1 -3 7 15.60 8.60 1 3 7 11.80 8.30 -1 3 7 10.80 8.30 1 3 -7 1.10 8.90 -1 -3 -7 7.50 8.40 1 -3 7 9.90 7.50 1 -5 -7 -12.50 6.60 -1 5 -7 9.10 8.90 1 5 7 -0.70 7.30 -1 -5 7 4.30 7.30 1 -5 7 2.90 6.30 -1 -5 -7 5.00 7.70 -1 5 7 3.40 8.70 1 5 -7 5.00 8.30 1 7 7 22.50 10.30 -1 7 7 16.10 14.20 -1 -7 -7 22.20 9.40 2 0 7 -9.40 5.30 2 0 -7 -7.80 7.80 -2 0 7 3.20 8.10 -2 0 -7 -7.50 6.90 -2 -2 7 2.60 7.10 2 -2 -7 3.30 8.00 2 2 7 10.10 7.40 -2 2 -7 7.00 8.60 -2 -2 -7 4.00 8.40 -2 2 7 1.50 7.30 2 2 -7 -6.60 8.80 2 -2 7 14.60 7.70 -2 -4 7 5.90 7.50 -2 4 -7 7.00 8.60 2 -4 -7 14.90 8.40 2 4 7 19.80 8.10 -2 -4 -7 8.10 8.20 2 -4 7 19.20 8.00 -2 4 7 4.90 9.00 2 4 -7 22.50 10.00 2 6 7 6.10 8.00 -2 -6 7 15.40 8.40 -2 6 -7 25.40 10.20 -2 6 7 17.30 10.50 2 -6 7 13.20 8.40 2 6 -7 14.90 9.40 -2 -6 -7 19.60 8.90 3 1 7 569.34 24.30 3 -1 -7 483.25 24.90 -3 1 -7 590.84 27.00 -3 -1 7 506.65 25.40 3 -1 7 549.45 24.30 3 1 -7 512.15 25.90 -3 -1 -7 569.64 26.80 -3 1 7 551.44 25.90 3 -3 -7 225.08 17.40 -3 -3 7 237.48 17.80 -3 3 -7 220.88 18.60 3 3 7 221.28 16.50 3 -3 7 229.28 16.60 -3 -3 -7 236.08 18.40 -3 3 7 251.67 19.30 3 3 -7 249.97 19.20 -3 5 -7 241.58 21.20 3 5 7 198.98 18.10 -3 -5 7 215.08 20.00 -3 -5 -7 189.68 18.70 3 -5 7 200.18 16.50 -3 5 7 208.68 19.90 3 5 -7 203.68 19.50 -4 0 7 15.80 8.70 4 0 -7 -14.40 7.20 4 0 7 2.60 6.30 -4 0 -7 -8.10 7.40 4 -2 -7 14.30 8.40 -4 2 -7 1.20 7.90 -4 -2 7 0.60 6.50 4 2 7 9.60 7.50 -4 2 7 12.70 8.80 4 2 -7 -2.60 8.20 4 -2 7 8.60 6.50 -4 -2 -7 -8.30 6.70 -4 4 -7 12.20 8.40 -4 -4 7 -7.10 6.50 -4 4 7 -6.60 8.00 4 -4 7 1.40 5.90 4 4 -7 -3.40 8.80 -4 -4 -7 4.40 8.00 -4 -6 -7 17.80 13.40 4 -6 7 18.00 11.10 -5 -1 7 10.00 8.60 5 -1 -7 -12.10 7.40 -5 1 -7 2.40 7.90 -5 1 7 -8.10 7.60 5 1 -7 4.00 8.90 -5 -1 -7 3.70 7.80 5 -3 -7 4.50 9.10 -5 3 -7 -7.30 7.90 -5 -3 7 17.80 8.80 -5 -3 -7 6.20 8.20 -5 3 7 -1.00 8.60 5 3 -7 -3.20 9.10 5 -3 7 8.10 6.20 5 -5 7 12.40 7.50 -6 0 7 5.30 8.40 -6 0 -7 3.90 7.90 6 0 -7 -4.50 8.70 -6 -2 7 237.98 18.10 -6 2 -7 230.78 19.00 6 -2 -7 222.58 18.30 6 2 -7 266.37 22.20 -6 -2 -7 268.67 19.80 -6 2 7 239.98 21.60 7 -1 -7 -1.60 8.70 7 1 -7 -11.50 9.70 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 66794 loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, -z' '-x, y, -z+1/2' '-x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, -z+1/2' '-x+1/2, -y+1/2, z+1/2' '-x, -y, -z' '-x, y, z' 'x, -y, z-1/2' 'x, y, -z-1/2' '-x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z-1/2' 'x+1/2, y+1/2, -z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Nd1 Nd 0.33074(2) 0.35288(2) 0.250000 0.00599(7) Uani 1 2 d S T P . . Nd2 Nd 0.000000 0.33632(3) 0.250000 0.00632(8) Uani 1 4 d S T P . . Ga2 Ga 0.000000 0.05919(7) 0.250000 0.00782(15) Uani 1 4 d S T P . . Ga1 Ga 0.34675(6) 0.05837(6) 0.250000 0.00990(13) Uani 1 2 d S T P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Nd1 0.00493(11) 0.00808(12) 0.00497(12) 0.000 0.000 -0.00097(8) Nd2 0.00459(15) 0.00972(17) 0.00465(17) 0.000 0.000 0.000 Ga2 0.0102(4) 0.0076(3) 0.0056(4) 0.000 0.000 0.000 Ga1 0.0150(3) 0.0092(3) 0.0055(3) 0.000 0.000 -0.0014(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Ga2 Nd1 Ga2 83.285(17) 13_556 13 ? Ga2 Nd1 Ga1 140.13(2) 13_556 13 ? Ga2 Nd1 Ga1 84.499(17) 13 13 ? Ga2 Nd1 Ga1 84.499(17) 13_556 13_556 ? Ga2 Nd1 Ga1 140.13(2) 13 13_556 ? Ga1 Nd1 Ga1 81.04(2) 13 13_556 ? Ga2 Nd1 Ga2 46.599(18) 13_556 5 ? Ga2 Nd1 Ga2 46.599(18) 13 5 ? Ga1 Nd1 Ga2 99.909(19) 13 5 ? Ga1 Nd1 Ga2 99.909(19) 13_556 5 ? Ga2 Nd1 Ga1 100.16(2) 13_556 14 ? Ga2 Nd1 Ga1 100.16(2) 13 14 ? Ga1 Nd1 Ga1 45.420(16) 13 14 ? Ga1 Nd1 Ga1 45.420(16) 13_556 14 ? Ga2 Nd1 Ga1 80.50(2) 5 14 ? Ga2 Nd1 Nd2 102.270(16) 13_556 13 ? Ga2 Nd1 Nd2 58.22(2) 13 13 ? Ga1 Nd1 Nd2 103.065(15) 13 13 ? Ga1 Nd1 Nd2 161.590(17) 13_556 13 ? Ga2 Nd1 Nd2 97.058(16) 5 13 ? Ga1 Nd1 Nd2 146.191(7) 14 13 ? Ga2 Nd1 Nd2 58.22(2) 13_556 13_556 ? Ga2 Nd1 Nd2 102.270(16) 13 13_556 ? Ga1 Nd1 Nd2 161.590(17) 13 13_556 ? Ga1 Nd1 Nd2 103.065(15) 13_556 13_556 ? Ga2 Nd1 Nd2 97.058(16) 5 13_556 ? Ga1 Nd1 Nd2 146.191(7) 14 13_556 ? Nd2 Nd1 Nd2 67.593(13) 13 13_556 ? Ga2 Nd1 Nd1 158.86(2) 13_556 13 ? Ga2 Nd1 Nd1 102.037(15) 13 13 ? Ga1 Nd1 Nd1 61.001(17) 13 13 ? Ga1 Nd1 Nd1 102.900(19) 13_556 13 ? Ga2 Nd1 Nd1 146.960(8) 5 13 ? Ga1 Nd1 Nd1 98.996(19) 14 13 ? Nd2 Nd1 Nd1 65.097(13) 13 13 ? Nd2 Nd1 Nd1 100.669(17) 13_556 13 ? Ga2 Nd1 Nd1 102.037(15) 13_556 13_556 ? Ga2 Nd1 Nd1 158.86(2) 13 13_556 ? Ga1 Nd1 Nd1 102.900(19) 13 13_556 ? Ga1 Nd1 Nd1 61.001(17) 13_556 13_556 ? Ga2 Nd1 Nd1 146.960(8) 5 13_556 ? Ga1 Nd1 Nd1 98.996(19) 14 13_556 ? Nd2 Nd1 Nd1 100.669(17) 13 13_556 ? Nd2 Nd1 Nd1 65.097(13) 13_556 13_556 ? Nd1 Nd1 Nd1 66.039(14) 13 13_556 ? Ga2 Nd1 Nd2 132.857(9) 13_556 . ? Ga2 Nd1 Nd2 132.857(9) 13 . ? Ga1 Nd1 Nd2 48.469(13) 13 . ? Ga1 Nd1 Nd2 48.469(13) 13_556 . ? Ga2 Nd1 Nd2 132.373(15) 5 . ? Ga1 Nd1 Nd2 51.875(16) 14 . ? Nd2 Nd1 Nd2 121.626(8) 13 . ? Nd2 Nd1 Nd2 121.626(9) 13_556 . ? Nd1 Nd1 Nd2 56.529(10) 13 . ? Nd1 Nd1 Nd2 56.529(10) 13_556 . ? Ga1 Nd2 Ga1 130.74(3) 13_556 6_455 ? Ga1 Nd2 Ga1 75.16(3) 13_556 6_456 ? Ga1 Nd2 Ga1 84.77(2) 6_455 6_456 ? Ga1 Nd2 Ga1 84.77(2) 13_556 13 ? Ga1 Nd2 Ga1 75.16(3) 6_455 13 ? Ga1 Nd2 Ga1 130.74(3) 6_456 13 ? Ga1 Nd2 Ga1 46.365(15) 13_556 14 ? Ga1 Nd2 Ga1 90.31(2) 6_455 14 ? Ga1 Nd2 Ga1 90.31(2) 6_456 14 ? Ga1 Nd2 Ga1 46.365(15) 13 14 ? Ga1 Nd2 Ga1 90.31(2) 13_556 5_455 ? Ga1 Nd2 Ga1 46.365(15) 6_455 5_455 ? Ga1 Nd2 Ga1 46.365(15) 6_456 5_455 ? Ga1 Nd2 Ga1 90.31(2) 13 5_455 ? Ga1 Nd2 Ga1 69.52(3) 14 5_455 ? Ga1 Nd2 Ga2 114.629(15) 13_556 . ? Ga1 Nd2 Ga2 114.629(15) 6_455 . ? Ga1 Nd2 Ga2 114.629(15) 6_456 . ? Ga1 Nd2 Ga2 114.629(15) 13 . ? Ga1 Nd2 Ga2 145.239(15) 14 . ? Ga1 Nd2 Ga2 145.239(15) 5_455 . ? Ga1 Nd2 Nd1 166.257(18) 13_556 6_455 ? Ga1 Nd2 Nd1 62.843(17) 6_455 6_455 ? Ga1 Nd2 Nd1 107.067(17) 6_456 6_455 ? Ga1 Nd2 Nd1 102.794(15) 13 6_455 ? Ga1 Nd2 Nd1 145.533(8) 14 6_455 ? Ga1 Nd2 Nd1 100.993(16) 5_455 6_455 ? Ga2 Nd2 Nd1 51.843(9) . 6_455 ? Ga1 Nd2 Nd1 107.067(17) 13_556 13 ? Ga1 Nd2 Nd1 102.794(15) 6_455 13 ? Ga1 Nd2 Nd1 166.257(18) 6_456 13 ? Ga1 Nd2 Nd1 62.843(17) 13 13 ? Ga1 Nd2 Nd1 100.993(16) 14 13 ? Ga1 Nd2 Nd1 145.533(8) 5_455 13 ? Ga2 Nd2 Nd1 51.843(9) . 13 ? Nd1 Nd2 Nd1 67.530(15) 6_455 13 ? Ga1 Nd2 Nd1 102.794(15) 13_556 6_456 ? Ga1 Nd2 Nd1 107.067(17) 6_455 6_456 ? Ga1 Nd2 Nd1 62.843(17) 6_456 6_456 ? Ga1 Nd2 Nd1 166.257(18) 13 6_456 ? Ga1 Nd2 Nd1 145.533(8) 14 6_456 ? Ga1 Nd2 Nd1 100.993(16) 5_455 6_456 ? Ga2 Nd2 Nd1 51.843(9) . 6_456 ? Nd1 Nd2 Nd1 67.591(14) 6_455 6_456 ? Nd1 Nd2 Nd1 103.685(18) 13 6_456 ? Ga1 Nd2 Nd1 62.843(17) 13_556 13_556 ? Ga1 Nd2 Nd1 166.257(18) 6_455 13_556 ? Ga1 Nd2 Nd1 102.794(15) 6_456 13_556 ? Ga1 Nd2 Nd1 107.067(17) 13 13_556 ? Ga1 Nd2 Nd1 100.993(16) 14 13_556 ? Ga1 Nd2 Nd1 145.533(8) 5_455 13_556 ? Ga2 Nd2 Nd1 51.843(9) . 13_556 ? Nd1 Nd2 Nd1 103.685(18) 6_455 13_556 ? Nd1 Nd2 Nd1 67.591(13) 13 13_556 ? Nd1 Nd2 Nd1 67.530(14) 6_456 13_556 ? Ga1 Nd2 Nd1 126.041(15) 13_556 10 ? Ga1 Nd2 Nd1 50.963(13) 6_455 10 ? Ga1 Nd2 Nd1 50.963(13) 6_456 10 ? Ga1 Nd2 Nd1 126.041(15) 13 10 ? Ga1 Nd2 Nd1 121.910(18) 14 10 ? Ga1 Nd2 Nd1 52.388(14) 5_455 10 ? Ga2 Nd2 Nd1 92.851(7) . 10 ? Nd1 Nd2 Nd1 58.374(9) 6_455 10 ? Nd1 Nd2 Nd1 125.861(9) 13 10 ? Nd1 Nd2 Nd1 58.374(9) 6_456 10 ? Nd1 Nd2 Nd1 125.861(9) 13_556 10 ? Ga2 Ga2 Ga2 110.41(7) 9 9_556 ? Ga2 Ga2 Nd1 137.850(15) 9 13_556 ? Ga2 Ga2 Nd1 69.518(16) 9_556 13_556 ? Ga2 Ga2 Nd1 69.518(16) 9 6_455 ? Ga2 Ga2 Nd1 137.850(15) 9_556 6_455 ? Nd1 Ga2 Nd1 139.88(3) 13_556 6_455 ? Ga2 Ga2 Nd1 137.850(15) 9 6_456 ? Ga2 Ga2 Nd1 69.518(16) 9_556 6_456 ? Nd1 Ga2 Nd1 83.203(18) 13_556 6_456 ? Nd1 Ga2 Nd1 83.284(17) 6_455 6_456 ? Ga2 Ga2 Nd1 69.518(15) 9 13 ? Ga2 Ga2 Nd1 137.850(15) 9_556 13 ? Nd1 Ga2 Nd1 83.284(17) 13_556 13 ? Nd1 Ga2 Nd1 83.203(18) 6_455 13 ? Nd1 Ga2 Nd1 139.88(3) 6_456 13 ? Ga2 Ga2 Nd1 63.88(3) 9 5_445 ? Ga2 Ga2 Nd1 63.88(3) 9_556 5_445 ? Nd1 Ga2 Nd1 133.401(18) 13_556 5_445 ? Nd1 Ga2 Nd1 80.912(15) 6_455 5_445 ? Nd1 Ga2 Nd1 80.912(15) 6_456 5_445 ? Nd1 Ga2 Nd1 133.401(18) 13 5_445 ? Ga2 Ga2 Nd1 63.88(3) 9 14_545 ? Ga2 Ga2 Nd1 63.88(3) 9_556 14_545 ? Nd1 Ga2 Nd1 80.912(15) 13_556 14_545 ? Nd1 Ga2 Nd1 133.401(18) 6_455 14_545 ? Nd1 Ga2 Nd1 133.401(18) 6_456 14_545 ? Nd1 Ga2 Nd1 80.912(15) 13 14_545 ? Nd1 Ga2 Nd1 79.05(3) 5_445 14_545 ? Ga2 Ga2 Nd2 124.80(3) 9 . ? Ga2 Ga2 Nd2 124.80(3) 9_556 . ? Nd1 Ga2 Nd2 69.941(17) 13_556 . ? Nd1 Ga2 Nd2 69.941(17) 6_455 . ? Nd1 Ga2 Nd2 69.941(17) 6_456 . ? Nd1 Ga2 Nd2 69.941(17) 13 . ? Nd1 Ga2 Nd2 140.477(13) 5_445 . ? Nd1 Ga2 Nd2 140.477(13) 14_545 . ? Ga1 Ga1 Ga1 111.15(5) 2 2_556 ? Ga1 Ga1 Nd2 142.340(14) 2 13_556 ? Ga1 Ga1 Nd2 71.310(16) 2_556 13_556 ? Ga1 Ga1 Nd2 71.310(16) 2 13 ? Ga1 Ga1 Nd2 142.340(14) 2_556 13 ? Nd2 Ga1 Nd2 84.77(2) 13_556 13 ? Ga1 Ga1 Nd1 69.845(14) 2 13 ? Ga1 Ga1 Nd1 136.657(15) 2_556 13 ? Nd2 Ga1 Nd1 135.40(3) 13_556 13 ? Nd2 Ga1 Nd1 80.566(15) 13 13 ? Ga1 Ga1 Nd1 136.657(15) 2 13_556 ? Ga1 Ga1 Nd1 69.845(14) 2_556 13_556 ? Nd2 Ga1 Nd1 80.566(15) 13_556 13_556 ? Nd2 Ga1 Nd1 135.40(3) 13 13_556 ? Nd1 Ga1 Nd1 81.04(2) 13 13_556 ? Ga1 Ga1 Nd2 62.33(2) 2 5_545 ? Ga1 Ga1 Nd2 62.33(2) 2_556 5_545 ? Nd2 Ga1 Nd2 89.70(2) 13_556 5_545 ? Nd2 Ga1 Nd2 89.70(2) 13 5_545 ? Nd1 Ga1 Nd2 131.772(15) 13 5_545 ? Nd1 Ga1 Nd2 131.772(15) 13_556 5_545 ? Ga1 Ga1 Nd1 64.73(2) 2 14_545 ? Ga1 Ga1 Nd1 64.73(2) 2_556 14_545 ? Nd2 Ga1 Nd1 135.605(13) 13_556 14_545 ? Nd2 Ga1 Nd1 135.605(13) 13 14_545 ? Nd1 Ga1 Nd1 79.00(2) 13 14_545 ? Nd1 Ga1 Nd1 79.00(2) 13_556 14_545 ? Nd2 Ga1 Nd1 75.74(2) 5_545 14_545 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Nd1 Ga2 3.1440(5) 13_556 ? Nd1 Ga2 3.1440(5) 13 ? Nd1 Ga1 3.2156(7) 13 ? Nd1 Ga1 3.2156(7) 13_556 ? Nd1 Ga2 3.2801(9) 5 ? Nd1 Ga1 3.3380(9) 14 ? Nd1 Nd2 3.7557(5) 13 ? Nd1 Nd2 3.7557(5) 13_556 ? Nd1 Nd1 3.8338(6) 13 ? Nd1 Nd1 3.8338(6) 13_556 ? Nd1 Nd2 4.0838(7) . ? Nd2 Ga1 3.0991(6) 13_556 ? Nd2 Ga1 3.0991(6) 6_455 ? Nd2 Ga1 3.0991(6) 6_456 ? Nd2 Ga1 3.0991(6) 13 ? Nd2 Ga1 3.3148(9) 14 ? Nd2 Ga1 3.3148(9) 5_455 ? Nd2 Ga2 3.3988(12) . ? Ga2 Ga2 2.5440(11) 9 ? Ga2 Ga2 2.5440(11) 9_556 ? Ga1 Ga1 2.5326(9) 2 ? Ga1 Ga1 2.5326(9) 2_556 ? _cod_database_fobs_code 2300740