#------------------------------------------------------------------------------ #$Date: 2021-03-05 20:41:49 +0200 (Fri, 05 Mar 2021) $ #$Revision: 262764 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/23/2022312.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_2022312 loop_ _publ_author_name 'Tobash, Paul' 'Bobev, Svilen' _publ_section_title ; The structure of Ce~2~Al~3~Ge~4~ refined for the first time from single-crystal X-ray diffraction data ; _journal_coeditor_code OV3145 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 81 _journal_page_last 83 _journal_paper_doi 10.1107/S2053229621000383 _journal_volume 77 _journal_year 2021 _chemical_formula_iupac 'Ce2 Al3 Ge4' _chemical_formula_moiety 'Al3 Ce2 Ge4' _chemical_formula_sum 'Al3 Ce2 Ge4' _chemical_formula_weight 651.54 _chemical_name_systematic ; Dicerium trialuminium tetragermanide ; _space_group_IT_number 64 _space_group_name_Hall '-C 2ac 2' _space_group_name_H-M_alt 'C m c e' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall '-C 2ac 2' _symmetry_space_group_name_H-M 'C m c e' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 6.0581(17) _cell_length_b 15.045(4) _cell_length_c 7.940(2) _cell_measurement_reflns_used 402 _cell_measurement_temperature 120(2) _cell_measurement_theta_max 26.33 _cell_measurement_theta_min 2.71 _cell_volume 723.7(3) _computing_cell_refinement ; SAINT (Bruker, 2002) ; _computing_data_collection ; SMART (Bruker, 2002) ; _computing_data_reduction ; SAINT (Bruker, 2002) ; _computing_molecular_graphics ; XP in SHELXTL (Bruker, 2002) ; _computing_publication_material ; SHELXTL (Bruker, 2002) ; _computing_structure_refinement ; SHELXTL (Bruker, 2002) ; _computing_structure_solution ; SHELXTL (Bruker, 2002) ; _diffrn_ambient_temperature 120(2) _diffrn_measured_fraction_theta_full 0.990 _diffrn_measured_fraction_theta_max 0.990 _diffrn_measurement_device_type 'Bruker SMART CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0312 _diffrn_reflns_av_sigmaI/netI 0.0258 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_number 1830 _diffrn_reflns_theta_full 26.33 _diffrn_reflns_theta_max 26.33 _diffrn_reflns_theta_min 2.71 _exptl_absorpt_coefficient_mu 28.966 _exptl_absorpt_correction_T_max 0.3156 _exptl_absorpt_correction_T_min 0.2586 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Sheldrick, 2003) ; _exptl_crystal_colour silver _exptl_crystal_density_diffrn 5.980 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 1132 _exptl_crystal_size_max 0.05 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.04 _refine_diff_density_max 1.000 _refine_diff_density_min -0.990 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.071 _refine_ls_matrix_type full _refine_ls_number_parameters 27 _refine_ls_number_reflns 402 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.071 _refine_ls_R_factor_all 0.0245 _refine_ls_R_factor_gt 0.0219 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0260P)^2^+1.7964P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0492 _refine_ls_wR_factor_ref 0.0500 _reflns_number_gt 371 _reflns_number_total 402 _reflns_threshold_expression >2sigma(I) _cod_data_source_file ov3145sup1.cif _cod_data_source_block I _cod_depositor_comments 'Adding full bibliography for 2022312.cif.' _cod_original_cell_volume 723.7(4) _cod_original_sg_symbol_Hall '-C 2bc 2' _cod_database_code 2022312 _cod_database_fobs_code 2022312 _shelx_res_file ; TITL sad in Cmce CELL 0.71073 6.0581 15.0447 7.9403 90.000 90.000 90.000 ZERR 4.00 0.0017 0.0043 0.0023 0.000 0.000 0.000 LATT 7 SYMM -X, 0.5-Y, 0.5+Z SYMM -X, 0.5+Y, 0.5-Z SYMM X, -Y, -Z SFAC AL GE CE UNIT 12 16 8 TEMP -153 SIZE 0.05 0.05 0.04 L.S. 10 BOND ACTA FMAP -2 PLAN 20 WGHT 0.027000 WGHT 0.0260 1.7964 FVAR 0.04622 CE 3 0.000000 0.113845 0.417166 10.50000 0.00782 0.00946 = 0.00975 0.00013 0.00000 0.00000 GE1 2 0.000000 0.186542 0.052648 10.50000 0.00844 0.01009 = 0.01034 0.00026 0.00000 0.00000 GE2 2 0.250000 0.451227 0.250000 10.50000 0.01254 0.01023 = 0.01099 0.00000 -0.00123 0.00000 AL1 1 0.250000 0.283829 0.250000 10.50000 0.00874 0.00509 = 0.00868 0.00000 -0.00450 0.00000 AL2 1 0.000000 0.000000 0.000000 10.25000 0.00615 0.02326 = 0.01352 0.00842 0.00000 0.00000 HKLF 4 REM sad in Cmce REM R1 = 0.0217 for 371 Fo > 4sig(Fo) and 0.0243 for all 402 data REM 28 parameters refined using 0 restraints END WGHT 0.0260 1.7964 REM Highest difference peak 0.934, deepest hole -0.869, 1-sigma level 0.244 Q1 1 0.2500 0.1502 0.2500 10.50000 0.05 0.93 Q2 1 0.3343 0.3419 0.2256 11.00000 0.05 -0.87 Q3 1 -0.0907 0.1535 0.3908 11.00000 0.05 0.86 Q4 1 0.5000 0.2207 0.2066 10.50000 0.05 0.85 Q5 1 0.2500 0.1056 0.2500 10.50000 0.05 -0.81 ; _shelx_res_checksum 36671 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y+1/2, z+1/2' '-x, y+1/2, -z+1/2' 'x, -y, -z' 'x+1/2, y+1/2, z' '-x+1/2, -y+1, z+1/2' '-x+1/2, y+1, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x, y-1/2, -z-1/2' 'x, -y-1/2, z-1/2' '-x, y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, y, -z-1/2' 'x+1/2, -y, z-1/2' '-x+1/2, y+1/2, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_disorder_assembly _atom_site_disorder_group Ce Ce 0.0000 0.11385(3) 0.41715(6) 0.00871(17) Uani d S 1 2 . . Ge Ge1 0.0000 0.18655(5) 0.05260(11) 0.0093(2) Uani d S 1 2 . . Ge Ge2 0.2500 0.45123(5) 0.2500 0.0109(2) Uani d S 1 2 . . Al Al1 0.2500 0.28384(14) 0.2500 0.0074(5) Uani d S 1 2 . . Al Al2 0.0000 0.0000 0.0000 0.0140(8) Uani d S 1 4 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ce 0.0076(3) 0.0091(2) 0.0094(3) 0.000 0.000 0.00012(15) Ge1 0.0082(5) 0.0097(4) 0.0100(4) 0.000 0.000 0.0003(3) Ge2 0.0122(5) 0.0099(4) 0.0107(5) 0.000 -0.0012(4) 0.000 Al1 0.0090(13) 0.0045(10) 0.0087(12) 0.000 -0.0047(10) 0.000 Al2 0.0065(18) 0.0226(18) 0.0129(19) 0.000 0.000 0.0083(14) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ce Ce -0.2486 2.6331 '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_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag Ge1 Ce Ge2 . 5_445 83.17(2) ? Ge1 Ce Ge2 . 10_556 83.17(2) ? Ge2 Ce Ge2 5_445 10_556 57.10(2) ? Ge1 Ce Ge1 . 2 89.01(2) ? Ge2 Ce Ge1 5_445 2 150.240(13) ? Ge2 Ce Ge1 10_556 2 150.240(13) ? Ge1 Ce Ge2 . 13_556 151.745(10) ? Ge2 Ce Ge2 5_445 13_556 109.63(2) ? Ge2 Ce Ge2 10_556 13_556 83.309(19) ? Ge1 Ce Ge2 2 13_556 90.55(3) ? Ge1 Ce Ge2 . 2 151.745(10) ? Ge2 Ce Ge2 5_445 2 83.309(19) ? Ge2 Ce Ge2 10_556 2 109.63(2) ? Ge1 Ce Ge2 2 2 90.55(3) ? Ge2 Ce Ge2 13_556 2 56.50(2) ? Ge1 Ce Ge1 . 14_556 87.12(2) ? Ge2 Ce Ge1 5_445 14_556 137.811(18) ? Ge2 Ce Ge1 10_556 14_556 81.05(2) ? Ge1 Ce Ge1 2 14_556 69.884(17) ? Ge2 Ce Ge1 13_556 14_556 66.311(19) ? Ge2 Ce Ge1 2 14_556 119.09(2) ? Ge1 Ce Ge1 . 14_456 87.12(2) ? Ge2 Ce Ge1 5_445 14_456 81.05(2) ? Ge2 Ce Ge1 10_556 14_456 137.811(18) ? Ge1 Ce Ge1 2 14_456 69.884(17) ? Ge2 Ce Ge1 13_556 14_456 119.09(2) ? Ge2 Ce Ge1 2 14_456 66.311(19) ? Ge1 Ce Ge1 14_556 14_456 139.42(3) ? Ge1 Ce Al1 . 14_456 48.766(16) ? Ge2 Ce Al1 5_445 14_456 102.32(3) ? Ge2 Ce Al1 10_556 14_456 131.16(3) ? Ge1 Ce Al1 2 14_456 52.97(3) ? Ge2 Ce Al1 13_556 14_456 142.89(3) ? Ge2 Ce Al1 2 14_456 110.914(18) ? Ge1 Ce Al1 14_556 14_456 101.57(3) ? Ge1 Ce Al1 14_456 14_456 47.764(18) ? Ge1 Ce Al1 . . 48.766(16) ? Ge2 Ce Al1 5_445 . 131.16(3) ? Ge2 Ce Al1 10_556 . 102.32(3) ? Ge1 Ce Al1 2 . 52.97(3) ? Ge2 Ce Al1 13_556 . 110.914(18) ? Ge2 Ce Al1 2 . 142.89(3) ? Ge1 Ce Al1 14_556 . 47.764(18) ? Ge1 Ce Al1 14_456 . 101.57(3) ? Al1 Ce Al1 14_456 . 55.46(4) ? Ge1 Ce Al1 . 13_556 124.40(4) ? Ge2 Ce Al1 5_445 13_556 152.21(3) ? Ge2 Ce Al1 10_556 13_556 117.42(3) ? Ge1 Ce Al1 2 13_556 46.71(3) ? Ge2 Ce Al1 13_556 13_556 44.63(4) ? Ge2 Ce Al1 2 13_556 73.05(3) ? Ge1 Ce Al1 14_556 13_556 51.203(17) ? Ge1 Ce Al1 14_456 13_556 101.88(3) ? Al1 Ce Al1 14_456 13_556 99.66(2) ? Al1 Ce Al1 . 13_556 75.81(2) ? Ge1 Ce Al1 . 2 124.40(4) ? Ge2 Ce Al1 5_445 2 117.42(3) ? Ge2 Ce Al1 10_556 2 152.21(3) ? Ge1 Ce Al1 2 2 46.71(3) ? Ge2 Ce Al1 13_556 2 73.05(3) ? Ge2 Ce Al1 2 2 44.63(4) ? Ge1 Ce Al1 14_556 2 101.88(3) ? Ge1 Ce Al1 14_456 2 51.203(17) ? Al1 Ce Al1 14_456 2 75.81(2) ? Al1 Ce Al1 . 2 99.66(2) ? Al1 Ce Al1 13_556 2 52.69(2) ? Al1 Ge1 Al1 14_456 . 70.46(5) ? Al1 Ge1 Al2 14_456 . 129.74(5) ? Al1 Ge1 Al2 . . 129.74(5) ? Al1 Ge1 Al1 14_456 2_554 96.24(3) ? Al1 Ge1 Al1 . 2_554 135.76(3) ? Al2 Ge1 Al1 . 2_554 91.73(5) ? Al1 Ge1 Al1 14_456 13 135.76(3) ? Al1 Ge1 Al1 . 13 96.24(3) ? Al2 Ge1 Al1 . 13 91.73(5) ? Al1 Ge1 Al1 2_554 13 63.58(3) ? Al1 Ge1 Ce 14_456 . 68.81(4) ? Al1 Ge1 Ce . . 68.81(4) ? Al2 Ge1 Ce . . 77.76(2) ? Al1 Ge1 Ce 2_554 . 146.78(2) ? Al1 Ge1 Ce 13 . 146.78(2) ? Al1 Ge1 Ce 14_456 2_554 71.12(4) ? Al1 Ge1 Ce . 2_554 71.12(4) ? Al2 Ge1 Ce . 2_554 151.83(3) ? Al1 Ge1 Ce 2_554 2_554 64.68(4) ? Al1 Ge1 Ce 13 2_554 64.68(4) ? Ce Ge1 Ce . 2_554 130.41(3) ? Al1 Ge1 Ce 14_456 14_456 66.63(3) ? Al1 Ge1 Ce . 14_456 133.28(3) ? Al2 Ge1 Ce . 14_456 71.091(17) ? Al1 Ge1 Ce 2_554 14_456 67.70(2) ? Al1 Ge1 Ce 13 14_456 127.50(3) ? Ce Ge1 Ce . 14_456 79.089(18) ? Ce Ge1 Ce 2_554 14_456 110.117(17) ? Al1 Ge1 Ce 14_456 14_556 133.28(3) ? Al1 Ge1 Ce . 14_556 66.63(3) ? Al2 Ge1 Ce . 14_556 71.091(16) ? Al1 Ge1 Ce 2_554 14_556 127.50(3) ? Al1 Ge1 Ce 13 14_556 67.70(2) ? Ce Ge1 Ce . 14_556 79.089(18) ? Ce Ge1 Ce 2_554 14_556 110.117(17) ? Ce Ge1 Ce 14_456 14_556 139.42(3) ? Al1 Ge2 Al2 . 2 106.377(17) ? Al1 Ge2 Al2 . 5 106.377(17) ? Al2 Ge2 Al2 2 5 147.25(3) ? Al1 Ge2 Ce . 5 140.542(15) ? Al2 Ge2 Ce 2 5 74.99(2) ? Al2 Ge2 Ce 5 5 79.84(2) ? Al1 Ge2 Ce . 10_566 140.542(14) ? Al2 Ge2 Ce 2 10_566 79.84(2) ? Al2 Ge2 Ce 5 10_566 74.99(2) ? Ce Ge2 Ce 5 10_566 78.92(3) ? Al1 Ge2 Ce . 2_554 72.182(16) ? Al2 Ge2 Ce 2 2_554 116.16(2) ? Al2 Ge2 Ce 5 2_554 74.44(2) ? Ce Ge2 Ce 5 2_554 143.95(2) ? Ce Ge2 Ce 10_566 2_554 70.37(2) ? Al1 Ge2 Ce . 13_556 72.182(16) ? Al2 Ge2 Ce 2 13_556 74.44(2) ? Al2 Ge2 Ce 5 13_556 116.16(2) ? Ce Ge2 Ce 5 13_556 70.37(2) ? Ce Ge2 Ce 10_566 13_556 143.95(2) ? Ce Ge2 Ce 2_554 13_556 144.36(3) ? Ge2 Al1 Ge1 . . 123.88(4) ? Ge2 Al1 Ge1 . 14_556 123.88(4) ? Ge1 Al1 Ge1 . 14_556 112.23(9) ? Ge2 Al1 Ge1 . 2 81.09(4) ? Ge1 Al1 Ge1 . 2 106.35(3) ? Ge1 Al1 Ge1 14_556 2 83.76(3) ? Ge2 Al1 Ge1 . 13 81.09(4) ? Ge1 Al1 Ge1 . 13 83.76(3) ? Ge1 Al1 Ge1 14_556 13 106.35(3) ? Ge1 Al1 Ge1 2 13 162.17(9) ? Ge2 Al1 Ce . 14_556 141.78(3) ? Ge1 Al1 Ce . 14_556 65.61(4) ? Ge1 Al1 Ce 14_556 14_556 62.42(4) ? Ge1 Al1 Ce 2 14_556 135.04(6) ? Ge1 Al1 Ce 13 14_556 62.35(3) ? Ge2 Al1 Ce . . 141.78(3) ? Ge1 Al1 Ce . . 62.42(4) ? Ge1 Al1 Ce 14_556 . 65.60(4) ? Ge1 Al1 Ce 2 . 62.35(3) ? Ge1 Al1 Ce 13 . 135.04(6) ? Ce Al1 Ce 14_556 . 76.44(5) ? Ge2 Al1 Ce . 13_556 63.19(3) ? Ge1 Al1 Ce . 13_556 165.87(4) ? Ge1 Al1 Ce 14_556 13_556 62.17(3) ? Ge1 Al1 Ce 2 13_556 61.10(3) ? Ge1 Al1 Ce 13 13_556 110.09(4) ? Ce Al1 Ce 14_556 13_556 117.62(3) ? Ce Al1 Ce . 13_556 104.19(2) ? Ge2 Al1 Ce . 2_554 63.19(3) ? Ge1 Al1 Ce . 2_554 62.17(3) ? Ge1 Al1 Ce 14_556 2_554 165.87(4) ? Ge1 Al1 Ce 2 2_554 110.09(4) ? Ge1 Al1 Ce 13 2_554 61.10(3) ? Ce Al1 Ce 14_556 2_554 104.19(2) ? Ce Al1 Ce . 2_554 117.62(3) ? Ce Al1 Ce 13_556 2_554 126.38(7) ? Ge2 Al2 Ge2 10_556 2_554 180.00(3) ? Ge2 Al2 Ge2 10_556 13 108.82(2) ? Ge2 Al2 Ge2 2_554 13 71.18(2) ? Ge2 Al2 Ge2 10_556 5_445 71.18(2) ? Ge2 Al2 Ge2 2_554 5_445 108.82(2) ? Ge2 Al2 Ge2 13 5_445 180.00(3) ? Ge2 Al2 Ge1 10_556 9 80.41(2) ? Ge2 Al2 Ge1 2_554 9 99.59(2) ? Ge2 Al2 Ge1 13 9 99.59(2) ? Ge2 Al2 Ge1 5_445 9 80.41(2) ? Ge2 Al2 Ge1 10_556 . 99.59(2) ? Ge2 Al2 Ge1 2_554 . 80.41(2) ? Ge2 Al2 Ge1 13 . 80.41(2) ? Ge2 Al2 Ge1 5_445 . 99.59(2) ? Ge1 Al2 Ge1 9 . 180.0 ? Ge2 Al2 Ce 10_556 14_556 59.797(18) ? Ge2 Al2 Ce 2_554 14_556 120.203(19) ? Ge2 Al2 Ce 13 14_556 60.498(18) ? Ge2 Al2 Ce 5_445 14_556 119.502(18) ? Ge1 Al2 Ce 9 14_556 120.380(11) ? Ge1 Al2 Ce . 14_556 59.620(11) ? Ge2 Al2 Ce 10_556 6_444 120.203(19) ? Ge2 Al2 Ce 2_554 6_444 59.797(18) ? Ge2 Al2 Ce 13 6_444 119.502(18) ? Ge2 Al2 Ce 5_445 6_444 60.498(18) ? Ge1 Al2 Ce 9 6_444 59.620(11) ? Ge1 Al2 Ce . 6_444 120.380(11) ? Ce Al2 Ce 14_556 6_444 180.000(11) ? Ge2 Al2 Ce 10_556 14_456 119.502(18) ? Ge2 Al2 Ce 2_554 14_456 60.498(18) ? Ge2 Al2 Ce 13 14_456 120.203(18) ? Ge2 Al2 Ce 5_445 14_456 59.797(18) ? Ge1 Al2 Ce 9 14_456 120.380(11) ? Ge1 Al2 Ce . 14_456 59.620(11) ? Ce Al2 Ce 14_556 14_456 117.59(2) ? Ce Al2 Ce 6_444 14_456 62.41(2) ? Ge2 Al2 Ce 10_556 6_544 60.498(18) ? Ge2 Al2 Ce 2_554 6_544 119.502(18) ? Ge2 Al2 Ce 13 6_544 59.797(18) ? Ge2 Al2 Ce 5_445 6_544 120.203(18) ? Ge1 Al2 Ce 9 6_544 59.620(11) ? Ge1 Al2 Ce . 6_544 120.380(11) ? Ce Al2 Ce 14_556 6_544 62.41(2) ? Ce Al2 Ce 6_444 6_544 117.59(2) ? Ce Al2 Ce 14_456 6_544 180.0 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ce Ge1 . 3.0944(12) ? Ce Ge2 5_445 3.1688(9) ? Ce Ge2 10_556 3.1688(9) ? Ce Ge1 2 3.1897(12) ? Ce Ge2 13_556 3.1996(8) ? Ce Ge2 2 3.1996(8) ? Ce Ge1 14_556 3.2294(9) ? Ce Ge1 14_456 3.2294(9) ? Ce Al1 14_456 3.2551(18) ? Ce Al1 . 3.2551(18) ? Ce Al1 13_556 3.4129(12) ? Ce Al1 2 3.4129(12) ? Ge1 Al1 14_456 2.6254(14) ? Ge1 Al1 . 2.6254(14) ? Ge1 Al2 . 2.8375(11) ? Ge1 Al1 2_554 2.8750(10) ? Ge1 Al1 13 2.8750(10) ? Ge1 Ce 2_554 3.1897(12) ? Ge1 Ce 14_456 3.2294(9) ? Ge1 Ce 14_556 3.2294(9) ? Ge2 Al1 . 2.518(2) ? Ge2 Al2 2 2.6025(5) ? Ge2 Al2 5 2.6025(6) ? Ge2 Ce 5 3.1688(9) ? Ge2 Ce 10_566 3.1688(9) ? Ge2 Ce 2_554 3.1996(8) ? Ge2 Ce 13_556 3.1996(8) ? Al1 Ge1 14_556 2.6254(14) ? Al1 Ge1 2 2.8750(10) ? Al1 Ge1 13 2.8750(10) ? Al1 Ce 14_556 3.2551(18) ? Al1 Ce 13_556 3.4129(12) ? Al1 Ce 2_554 3.4129(12) ? Al2 Ge2 10_556 2.6025(5) ? Al2 Ge2 2_554 2.6025(5) ? Al2 Ge2 13 2.6025(5) ? Al2 Ge2 5_445 2.6025(5) ? Al2 Ge1 9 2.8375(11) ? Al2 Ce 14_556 3.5414(8) ? Al2 Ce 6_444 3.5414(8) ? Al2 Ce 14_456 3.5414(8) ? Al2 Ce 6_544 3.5414(8) ?