#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/14/2221443.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_2221443
loop_
_publ_author_name
'Misra, Sumohan'
'Miller, Gordon J.'
_publ_section_title
;
 Gadolinium scandium germanide, Gd₂Sc₃Ge₄
;
_journal_coeditor_code           MG2062
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i25
_journal_paper_doi               10.1107/S1600536809007211
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'Gd2 Sc3 Ge4'
_chemical_formula_moiety         'Gd2 Ge4 Sc3'
_chemical_formula_sum            'Gd2 Ge4 Sc3'
_chemical_formula_weight         739.74
_chemical_name_common            'gadolinium scandium germanide (2/3/4)'
_chemical_name_systematic
;
Diadolinium triscandium tetragermanide
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2445(13)
_cell_length_b                   14.101(3)
_cell_length_c                   7.4930(14)
_cell_measurement_reflns_used    6182
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.82
_cell_measurement_theta_min      3.08
_cell_volume                     765.4(3)
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0701
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6182
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.20
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    34.909
_exptl_absorpt_correction_T_max  0.705
_exptl_absorpt_correction_T_min  0.127
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    6.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.059
_exptl_crystal_size_mid          0.049
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.204
_refine_diff_density_min         -1.442
_refine_ls_extinction_coef       0.00245(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Bruker, 2002)'
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_reflns         958
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0171P)²+3.8343P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0656
_reflns_number_gt                816
_reflns_number_total             958
_reflns_threshold_expression     I>2s(I)
_cod_data_source_file            mg2062.cif
_cod_data_source_block           I
_cod_original_cell_volume        765.4(2)
_cod_database_code               2221443
_cod_database_fobs_code          2221443
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
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_disorder_assembly
_atom_site_disorder_group
Gd Gd1 0.99788(5) 0.40395(3) 0.17641(5) 0.00746(16) Uani d P 0.967(4) . .
Sc Sc1 0.99788(5) 0.40395(3) 0.17641(5) 0.00746(16) Uani d P 0.033(4) . .
Gd Gd2 0.6602(2) 0.37594(9) 0.83229(17) 0.0081(5) Uani d P 0.031(3) . .
Sc Sc2 0.6602(2) 0.37594(9) 0.83229(17) 0.0081(5) Uani d P 0.969(3) . .
Sc Sc3 0.1761(3) 0.7500 0.5005(3) 0.0072(4) Uani d S 1 . .
Ge Ge1 0.82216(12) 0.45888(6) 0.54068(11) 0.0091(2) Uani d . 1 . .
Ge Ge2 0.03997(16) 0.7500 0.12561(16) 0.0081(3) Uani d S 1 . .
Ge Ge3 0.30680(16) 0.7500 0.86322(15) 0.0081(3) Uani d S 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Sc Sc 0.2519 0.3716 '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'
Gd Gd -0.1653 3.9035 '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
Ge3 Gd1 Ge1 2_664 6_656 94.17(3) ?
Ge3 Gd1 Ge1 2_664 . 87.88(3) ?
Ge1 Gd1 Ge1 6_656 . 137.90(3) ?
Ge3 Gd1 Ge3 2_664 5_666 82.64(2) ?
Ge1 Gd1 Ge3 6_656 5_666 133.89(3) ?
Ge1 Gd1 Ge3 . 5_666 88.12(3) ?
Ge3 Gd1 Ge2 2_664 5_665 82.83(3) ?
Ge1 Gd1 Ge2 6_656 5_665 81.64(3) ?
Ge1 Gd1 Ge2 . 5_665 140.09(3) ?
Ge3 Gd1 Ge2 5_666 5_665 52.28(3) ?
Ge3 Gd1 Ge1 2_664 5_766 86.21(3) ?
Ge1 Gd1 Ge1 6_656 5_766 83.153(17) ?
Ge1 Gd1 Ge1 . 5_766 54.98(3) ?
Ge3 Gd1 Ge1 5_666 5_766 141.82(3) ?
Ge2 Gd1 Ge1 5_665 5_766 160.52(3) ?
Ge3 Gd1 Ge1 2_664 2_664 161.59(3) ?
Ge1 Gd1 Ge1 6_656 2_664 104.08(3) ?
Ge1 Gd1 Ge1 . 2_664 80.275(17) ?
Ge3 Gd1 Ge1 5_666 2_664 82.92(3) ?
Ge2 Gd1 Ge1 5_665 2_664 97.23(3) ?
Ge1 Gd1 Ge1 5_766 2_664 98.23(3) ?
Ge3 Gd1 Sc3 2_664 2_664 52.57(4) ?
Ge1 Gd1 Sc3 6_656 2_664 54.16(3) ?
Ge1 Gd1 Sc3 . 2_664 140.20(4) ?
Ge3 Gd1 Sc3 5_666 2_664 90.58(3) ?
Ge2 Gd1 Sc3 5_665 2_664 49.79(4) ?
Ge1 Gd1 Sc3 5_766 2_664 110.99(4) ?
Ge1 Gd1 Sc3 2_664 2_664 138.95(4) ?
Ge3 Gd1 Sc3 2_664 5_666 52.04(4) ?
Ge1 Gd1 Sc3 6_656 5_666 146.21(4) ?
Ge1 Gd1 Sc3 . 5_666 52.97(3) ?
Ge3 Gd1 Sc3 5_666 5_666 51.34(4) ?
Ge2 Gd1 Sc3 5_665 5_666 92.20(3) ?
Ge1 Gd1 Sc3 5_766 5_666 93.70(4) ?
Ge1 Gd1 Sc3 2_664 5_666 109.66(4) ?
Sc3 Gd1 Sc3 2_664 5_666 96.92(4) ?
Ge3 Gd1 Sc2 2_664 2_664 130.59(3) ?
Ge1 Gd1 Sc2 6_656 2_664 102.15(3) ?
Ge1 Gd1 Sc2 . 2_664 49.75(3) ?
Ge3 Gd1 Sc2 5_666 2_664 114.68(3) ?
Ge2 Gd1 Sc2 5_665 2_664 145.18(3) ?
Ge1 Gd1 Sc2 5_766 2_664 50.82(3) ?
Ge1 Gd1 Sc2 2_664 2_664 48.06(3) ?
Sc3 Gd1 Sc2 2_664 2_664 154.50(3) ?
Sc3 Gd1 Sc2 5_666 2_664 101.62(3) ?
Ge3 Gd1 Gd2 2_664 2_664 130.59(3) ?
Ge1 Gd1 Gd2 6_656 2_664 102.15(3) ?
Ge1 Gd1 Gd2 . 2_664 49.75(3) ?
Ge3 Gd1 Gd2 5_666 2_664 114.68(3) ?
Ge2 Gd1 Gd2 5_665 2_664 145.18(3) ?
Ge1 Gd1 Gd2 5_766 2_664 50.82(3) ?
Ge1 Gd1 Gd2 2_664 2_664 48.06(3) ?
Sc3 Gd1 Gd2 2_664 2_664 154.50(3) ?
Sc3 Gd1 Gd2 5_666 2_664 101.62(3) ?
Sc2 Gd1 Gd2 2_664 2_664 0.00(4) ?
Ge3 Gd1 Gd2 2_664 1_554 126.15(3) ?
Ge1 Gd1 Gd2 6_656 1_554 100.11(3) ?
Ge1 Gd1 Gd2 . 1_554 112.35(3) ?
Ge3 Gd1 Gd2 5_666 1_554 50.84(3) ?
Ge2 Gd1 Gd2 5_665 1_554 49.15(3) ?
Ge1 Gd1 Gd2 5_766 1_554 146.68(3) ?
Ge1 Gd1 Gd2 2_664 1_554 48.63(3) ?
Sc3 Gd1 Gd2 2_664 1_554 97.04(4) ?
Sc3 Gd1 Gd2 5_666 1_554 100.63(4) ?
Sc2 Gd1 Gd2 2_664 1_554 96.57(3) ?
Gd2 Gd1 Gd2 2_664 1_554 96.57(3) ?
Ge1 Gd2 Ge2 . 2_565 92.98(5) ?
Ge1 Gd2 Ge1 . 2_665 94.01(4) ?
Ge2 Gd2 Ge1 2_565 2_665 150.21(6) ?
Ge1 Gd2 Ge2 . 5_666 91.61(5) ?
Ge2 Gd2 Ge2 2_565 5_666 93.56(4) ?
Ge1 Gd2 Ge2 2_665 5_666 115.13(5) ?
Ge1 Gd2 Ge1 . 6_557 117.05(5) ?
Ge2 Gd2 Ge1 2_565 6_557 90.00(5) ?
Ge1 Gd2 Ge1 2_665 6_557 61.14(4) ?
Ge2 Gd2 Ge1 5_666 6_557 150.92(6) ?
Ge1 Gd2 Ge3 . 5_667 148.48(6) ?
Ge2 Gd2 Ge3 2_565 5_667 95.19(5) ?
Ge1 Gd2 Ge3 2_665 5_667 93.83(5) ?
Ge2 Gd2 Ge3 5_666 5_667 57.57(4) ?
Ge1 Gd2 Ge3 6_557 5_667 93.37(5) ?
Ge1 Gd2 Sc3 . 2_565 149.10(6) ?
Ge2 Gd2 Sc3 2_565 2_565 58.41(5) ?
Ge1 Gd2 Sc3 2_665 2_565 105.69(5) ?
Ge2 Gd2 Sc3 5_666 2_565 100.88(5) ?
Ge1 Gd2 Sc3 6_557 2_565 57.21(4) ?
Ge3 Gd2 Sc3 5_667 2_565 54.94(5) ?
Ge1 Gd2 Sc3 . 5_666 58.06(4) ?
Ge2 Gd2 Sc3 2_565 5_666 54.33(5) ?
Ge1 Gd2 Sc3 2_665 5_666 148.75(6) ?
Ge2 Gd2 Sc3 5_666 5_666 57.77(5) ?
Ge1 Gd2 Sc3 6_557 5_666 141.16(6) ?
Ge3 Gd2 Sc3 5_667 5_666 103.67(5) ?
Sc3 Gd2 Sc3 2_565 5_666 105.56(5) ?
Ge1 Gd2 Gd1 . 2_665 59.81(3) ?
Ge2 Gd2 Gd1 2_565 2_665 102.14(4) ?
Ge1 Gd2 Gd1 2_665 2_665 57.73(3) ?
Ge2 Gd2 Gd1 5_666 2_665 147.65(5) ?
Ge1 Gd2 Gd1 6_557 2_665 58.16(3) ?
Ge3 Gd2 Gd1 5_667 2_665 146.13(5) ?
Sc3 Gd2 Gd1 2_565 2_665 111.45(5) ?
Sc3 Gd2 Gd1 5_666 2_665 110.10(4) ?
Ge1 Gd2 Sc1 . 2_665 59.81(3) ?
Ge2 Gd2 Sc1 2_565 2_665 102.14(4) ?
Ge1 Gd2 Sc1 2_665 2_665 57.73(3) ?
Ge2 Gd2 Sc1 5_666 2_665 147.65(5) ?
Ge1 Gd2 Sc1 6_557 2_665 58.16(3) ?
Ge3 Gd2 Sc1 5_667 2_665 146.13(5) ?
Sc3 Gd2 Sc1 2_565 2_665 111.45(5) ?
Sc3 Gd2 Sc1 5_666 2_665 110.10(4) ?
Gd1 Gd2 Sc1 2_665 2_665 0.000(12) ?
Ge1 Gd2 Sc2 . 7_565 115.24(3) ?
Ge2 Gd2 Sc2 2_565 7_565 50.07(3) ?
Ge1 Gd2 Sc2 2_665 7_565 146.07(3) ?
Ge2 Gd2 Sc2 5_666 7_565 51.02(3) ?
Ge1 Gd2 Sc2 6_557 7_565 113.99(3) ?
Ge3 Gd2 Sc2 5_667 7_565 52.25(3) ?
Sc3 Gd2 Sc2 2_565 7_565 57.08(3) ?
Sc3 Gd2 Sc2 5_666 7_565 57.25(3) ?
Gd1 Gd2 Sc2 2_665 7_565 152.21(2) ?
Sc1 Gd2 Sc2 2_665 7_565 152.21(2) ?
Ge1 Gd2 Gd2 . 7_565 115.24(3) ?
Ge2 Gd2 Gd2 2_565 7_565 50.07(3) ?
Ge1 Gd2 Gd2 2_665 7_565 146.07(3) ?
Ge2 Gd2 Gd2 5_666 7_565 51.02(3) ?
Ge1 Gd2 Gd2 6_557 7_565 113.99(3) ?
Ge3 Gd2 Gd2 5_667 7_565 52.25(3) ?
Sc3 Gd2 Gd2 2_565 7_565 57.08(3) ?
Sc3 Gd2 Gd2 5_666 7_565 57.25(3) ?
Gd1 Gd2 Gd2 2_665 7_565 152.21(2) ?
Sc1 Gd2 Gd2 2_665 7_565 152.21(2) ?
Sc2 Gd2 Gd2 7_565 7_565 0.00(6) ?
Ge2 Sc3 Ge3 6_656 6_557 178.82(9) ?
Ge2 Sc3 Ge3 6_656 . 90.52(7) ?
Ge3 Sc3 Ge3 6_557 . 88.30(6) ?
Ge2 Sc3 Ge1 6_656 3_656 87.76(4) ?
Ge3 Sc3 Ge1 6_557 3_656 92.35(4) ?
Ge3 Sc3 Ge1 . 3_656 95.56(4) ?
Ge2 Sc3 Ge1 6_656 5_666 87.76(4) ?
Ge3 Sc3 Ge1 6_557 5_666 92.35(4) ?
Ge3 Sc3 Ge1 . 5_666 95.56(4) ?
Ge1 Sc3 Ge1 3_656 5_666 168.04(8) ?
Ge2 Sc3 Ge2 6_656 . 89.64(6) ?
Ge3 Sc3 Ge2 6_557 . 91.54(7) ?
Ge3 Sc3 Ge2 . . 179.85(9) ?
Ge1 Sc3 Ge2 3_656 . 84.44(4) ?
Ge1 Sc3 Ge2 5_666 . 84.44(4) ?
Ge2 Sc3 Sc2 6_656 2_564 124.88(6) ?
Ge3 Sc3 Sc2 6_557 2_564 56.01(5) ?
Ge3 Sc3 Sc2 . 2_564 127.54(6) ?
Ge1 Sc3 Sc2 3_656 2_564 120.23(7) ?
Ge1 Sc3 Sc2 5_666 2_564 54.72(4) ?
Ge2 Sc3 Sc2 . 2_564 52.35(4) ?
Ge2 Sc3 Gd2 6_656 2_564 124.88(6) ?
Ge3 Sc3 Gd2 6_557 2_564 56.01(5) ?
Ge3 Sc3 Gd2 . 2_564 127.54(6) ?
Ge1 Sc3 Gd2 3_656 2_564 120.23(7) ?
Ge1 Sc3 Gd2 5_666 2_564 54.72(4) ?
Ge2 Sc3 Gd2 . 2_564 52.35(4) ?
Sc2 Sc3 Gd2 2_564 2_564 0.00(3) ?
Ge2 Sc3 Sc2 6_656 8_665 124.88(6) ?
Ge3 Sc3 Sc2 6_557 8_665 56.01(5) ?
Ge3 Sc3 Sc2 . 8_665 127.54(6) ?
Ge1 Sc3 Sc2 3_656 8_665 54.72(4) ?
Ge1 Sc3 Sc2 5_666 8_665 120.23(7) ?
Ge2 Sc3 Sc2 . 8_665 52.35(4) ?
Sc2 Sc3 Sc2 2_564 8_665 65.84(6) ?
Gd2 Sc3 Sc2 2_564 8_665 65.84(6) ?
Ge2 Sc3 Gd2 6_656 8_665 124.88(6) ?
Ge3 Sc3 Gd2 6_557 8_665 56.01(5) ?
Ge3 Sc3 Gd2 . 8_665 127.54(6) ?
Ge1 Sc3 Gd2 3_656 8_665 54.72(4) ?
Ge1 Sc3 Gd2 5_666 8_665 120.23(7) ?
Ge2 Sc3 Gd2 . 8_665 52.35(4) ?
Sc2 Sc3 Gd2 2_564 8_665 65.84(6) ?
Gd2 Sc3 Gd2 2_564 8_665 65.84(6) ?
Sc2 Sc3 Gd2 8_665 8_665 0.00(3) ?
Ge2 Sc3 Sc2 6_656 3_656 53.40(4) ?
Ge3 Sc3 Sc2 6_557 3_656 127.47(6) ?
Ge3 Sc3 Sc2 . 3_656 126.76(6) ?
Ge1 Sc3 Sc2 3_656 3_656 51.79(3) ?
Ge1 Sc3 Sc2 5_666 3_656 117.23(7) ?
Ge2 Sc3 Sc2 . 3_656 53.35(4) ?
Sc2 Sc3 Sc2 2_564 3_656 105.69(6) ?
Gd2 Sc3 Sc2 2_564 3_656 105.69(6) ?
Sc2 Sc3 Sc2 8_665 3_656 71.49(4) ?
Gd2 Sc3 Sc2 8_665 3_656 71.49(4) ?
Ge2 Sc3 Gd2 6_656 5_666 53.40(4) ?
Ge3 Sc3 Gd2 6_557 5_666 127.47(6) ?
Ge3 Sc3 Gd2 . 5_666 126.76(6) ?
Ge1 Sc3 Gd2 3_656 5_666 117.23(7) ?
Ge1 Sc3 Gd2 5_666 5_666 51.79(3) ?
Ge2 Sc3 Gd2 . 5_666 53.35(4) ?
Sc2 Sc3 Gd2 2_564 5_666 71.49(4) ?
Gd2 Sc3 Gd2 2_564 5_666 71.49(4) ?
Sc2 Sc3 Gd2 8_665 5_666 105.69(6) ?
Gd2 Sc3 Gd2 8_665 5_666 105.69(6) ?
Sc2 Sc3 Gd2 3_656 5_666 65.50(6) ?
Gd2 Ge1 Sc2 . 2_664 144.75(4) ?
Gd2 Ge1 Gd2 . 2_664 144.75(4) ?
Sc2 Ge1 Gd2 2_664 2_664 0.00(5) ?
Gd2 Ge1 Sc2 . 6_657 85.83(4) ?
Sc2 Ge1 Sc2 2_664 6_657 118.86(4) ?
Gd2 Ge1 Sc2 2_664 6_657 118.86(4) ?
Gd2 Ge1 Gd2 . 6_657 85.83(4) ?
Sc2 Ge1 Gd2 2_664 6_657 118.86(4) ?
Gd2 Ge1 Gd2 2_664 6_657 118.86(4) ?
Sc2 Ge1 Gd2 6_657 6_657 0.00(7) ?
Gd2 Ge1 Ge1 . 5_766 136.10(5) ?
Sc2 Ge1 Ge1 2_664 5_766 60.61(4) ?
Gd2 Ge1 Ge1 2_664 5_766 60.61(4) ?
Sc2 Ge1 Ge1 6_657 5_766 58.26(4) ?
Gd2 Ge1 Ge1 6_657 5_766 58.26(4) ?
Gd2 Ge1 Gd1 . 6_556 89.24(4) ?
Sc2 Ge1 Gd1 2_664 6_556 86.99(4) ?
Gd2 Ge1 Gd1 2_664 6_556 86.99(4) ?
Sc2 Ge1 Gd1 6_657 6_556 138.69(4) ?
Gd2 Ge1 Gd1 6_657 6_556 138.69(4) ?
Ge1 Ge1 Gd1 5_766 6_556 134.14(5) ?
Gd2 Ge1 Sc1 . 6_556 89.24(4) ?
Sc2 Ge1 Sc1 2_664 6_556 86.99(4) ?
Gd2 Ge1 Sc1 2_664 6_556 86.99(4) ?
Sc2 Ge1 Sc1 6_657 6_556 138.69(4) ?
Gd2 Ge1 Sc1 6_657 6_556 138.69(4) ?
Ge1 Ge1 Sc1 5_766 6_556 134.14(5) ?
Gd1 Ge1 Sc1 6_556 6_556 0.000(17) ?
Gd2 Ge1 Sc3 . 5_666 70.16(5) ?
Sc2 Ge1 Sc3 2_664 5_666 140.10(6) ?
Gd2 Ge1 Sc3 2_664 5_666 140.10(6) ?
Sc2 Ge1 Sc3 6_657 5_666 68.07(5) ?
Gd2 Ge1 Sc3 6_657 5_666 68.07(5) ?
Ge1 Ge1 Sc3 5_766 5_666 111.92(6) ?
Gd1 Ge1 Sc3 6_556 5_666 71.70(5) ?
Sc1 Ge1 Sc3 6_556 5_666 71.70(5) ?
Gd2 Ge1 Gd1 . . 140.21(4) ?
Sc2 Ge1 Gd1 2_664 . 72.53(3) ?
Gd2 Ge1 Gd1 2_664 . 72.53(3) ?
Sc2 Ge1 Gd1 6_657 . 80.83(4) ?
Gd2 Ge1 Gd1 6_657 . 80.83(4) ?
Ge1 Ge1 Gd1 5_766 . 63.25(3) ?
Gd1 Ge1 Gd1 6_556 . 77.14(2) ?
Sc1 Ge1 Gd1 6_556 . 77.14(2) ?
Sc3 Ge1 Gd1 5_666 . 70.08(4) ?
Ge3 Ge2 Sc2 1_554 8_665 140.05(3) ?
Ge3 Ge2 Gd2 1_554 8_665 140.05(3) ?
Sc2 Ge2 Gd2 8_665 8_665 0.00(5) ?
Ge3 Ge2 Sc2 1_554 2_564 140.05(3) ?
Sc2 Ge2 Sc2 8_665 2_564 79.86(7) ?
Gd2 Ge2 Sc2 8_665 2_564 79.86(7) ?
Ge3 Ge2 Gd2 1_554 2_564 140.05(3) ?
Sc2 Ge2 Gd2 8_665 2_564 79.86(7) ?
Gd2 Ge2 Gd2 8_665 2_564 79.86(7) ?
Sc2 Ge2 Gd2 2_564 2_564 0.00(5) ?
Ge3 Ge2 Sc3 1_554 6_556 114.80(6) ?
Sc2 Ge2 Sc3 8_665 6_556 72.27(5) ?
Gd2 Ge2 Sc3 8_665 6_556 72.27(5) ?
Sc2 Ge2 Sc3 2_564 6_556 72.27(5) ?
Gd2 Ge2 Sc3 2_564 6_556 72.27(5) ?
Ge3 Ge2 Sc2 1_554 3_656 62.63(4) ?
Sc2 Ge2 Sc2 8_665 3_656 86.39(4) ?
Gd2 Ge2 Sc2 8_665 3_656 86.39(4) ?
Sc2 Ge2 Sc2 2_564 3_656 138.11(5) ?
Gd2 Ge2 Sc2 2_564 3_656 138.11(5) ?
Sc3 Ge2 Sc2 6_556 3_656 139.64(4) ?
Ge3 Ge2 Gd2 1_554 3_656 62.63(4) ?
Sc2 Ge2 Gd2 8_665 3_656 86.39(4) ?
Gd2 Ge2 Gd2 8_665 3_656 86.39(4) ?
Sc2 Ge2 Gd2 2_564 3_656 138.11(5) ?
Gd2 Ge2 Gd2 2_564 3_656 138.11(5) ?
Sc3 Ge2 Gd2 6_556 3_656 139.64(4) ?
Sc2 Ge2 Gd2 3_656 3_656 0.00(7) ?
Ge3 Ge2 Gd2 1_554 5_666 62.63(4) ?
Sc2 Ge2 Gd2 8_665 5_666 138.11(5) ?
Gd2 Ge2 Gd2 8_665 5_666 138.11(5) ?
Sc2 Ge2 Gd2 2_564 5_666 86.39(4) ?
Gd2 Ge2 Gd2 2_564 5_666 86.39(4) ?
Sc3 Ge2 Gd2 6_556 5_666 139.64(4) ?
Sc2 Ge2 Gd2 3_656 5_666 77.95(6) ?
Gd2 Ge2 Gd2 3_656 5_666 77.95(6) ?
Ge3 Ge2 Sc2 1_554 5_666 62.63(4) ?
Sc2 Ge2 Sc2 8_665 5_666 138.11(5) ?
Gd2 Ge2 Sc2 8_665 5_666 138.11(5) ?
Sc2 Ge2 Sc2 2_564 5_666 86.39(4) ?
Gd2 Ge2 Sc2 2_564 5_666 86.39(4) ?
Sc3 Ge2 Sc2 6_556 5_666 139.64(4) ?
Sc2 Ge2 Sc2 3_656 5_666 77.95(6) ?
Gd2 Ge2 Sc2 3_656 5_666 77.95(6) ?
Gd2 Ge2 Sc2 5_666 5_666 0.00(7) ?
Ge3 Ge2 Sc3 1_554 . 116.13(6) ?
Sc2 Ge2 Sc3 8_665 . 69.24(5) ?
Gd2 Ge2 Sc3 8_665 . 69.24(5) ?
Sc2 Ge2 Sc3 2_564 . 69.24(5) ?
Gd2 Ge2 Sc3 2_564 . 69.24(5) ?
Sc3 Ge2 Sc3 6_556 . 129.07(7) ?
Sc2 Ge2 Sc3 3_656 . 68.88(5) ?
Gd2 Ge2 Sc3 3_656 . 68.88(5) ?
Gd2 Ge2 Sc3 5_666 . 68.88(5) ?
Sc2 Ge2 Sc3 5_666 . 68.88(5) ?
Ge3 Ge2 Sc1 1_554 5_665 63.16(3) ?
Sc2 Ge2 Sc1 8_665 5_665 143.07(5) ?
Gd2 Ge2 Sc1 8_665 5_665 143.07(5) ?
Sc2 Ge2 Sc1 2_564 5_665 85.07(3) ?
Gd2 Ge2 Sc1 2_564 5_665 85.07(3) ?
Sc3 Ge2 Sc1 6_556 5_665 71.06(4) ?
Sc2 Ge2 Sc1 3_656 5_665 125.53(5) ?
Gd2 Ge2 Sc1 3_656 5_665 125.53(5) ?
Gd2 Ge2 Sc1 5_666 5_665 73.36(3) ?
Sc2 Ge2 Sc1 5_666 5_665 73.36(3) ?
Sc3 Ge2 Sc1 . 5_665 135.00(2) ?
Ge2 Ge3 Sc3 1_556 6_657 113.62(6) ?
Ge2 Ge3 Sc3 1_556 . 116.29(7) ?
Sc3 Ge3 Sc3 6_657 . 130.10(7) ?
Ge2 Ge3 Sc2 1_556 3_657 59.80(4) ?
Sc3 Ge3 Sc2 6_657 3_657 69.05(5) ?
Sc3 Ge3 Sc2 . 3_657 140.34(4) ?
Ge2 Ge3 Gd2 1_556 3_657 59.80(4) ?
Sc3 Ge3 Gd2 6_657 3_657 69.05(5) ?
Sc3 Ge3 Gd2 . 3_657 140.34(4) ?
Sc2 Ge3 Gd2 3_657 3_657 0.00(3) ?
Ge2 Ge3 Sc2 1_556 5_667 59.80(4) ?
Sc3 Ge3 Sc2 6_657 5_667 69.05(5) ?
Sc3 Ge3 Sc2 . 5_667 140.34(4) ?
Sc2 Ge3 Sc2 3_657 5_667 75.49(6) ?
Gd2 Ge3 Sc2 3_657 5_667 75.49(6) ?
Ge2 Ge3 Gd2 1_556 5_667 59.80(4) ?
Sc3 Ge3 Gd2 6_657 5_667 69.05(5) ?
Sc3 Ge3 Gd2 . 5_667 140.34(4) ?
Sc2 Ge3 Gd2 3_657 5_667 75.49(6) ?
Gd2 Ge3 Gd2 3_657 5_667 75.49(6) ?
Sc2 Ge3 Gd2 5_667 5_667 0.00(4) ?
Ge2 Ge3 Gd1 1_556 8_766 132.513(19) ?
Sc3 Ge3 Gd1 6_657 8_766 73.78(4) ?
Sc3 Ge3 Gd1 . 8_766 73.09(4) ?
Sc2 Ge3 Gd1 3_657 8_766 83.28(3) ?
Gd2 Ge3 Gd1 3_657 8_766 83.28(3) ?
Sc2 Ge3 Gd1 5_667 8_766 141.76(5) ?
Gd2 Ge3 Gd1 5_667 8_766 141.76(5) ?
Ge2 Ge3 Sc1 1_556 8_766 132.513(19) ?
Sc3 Ge3 Sc1 6_657 8_766 73.78(4) ?
Sc3 Ge3 Sc1 . 8_766 73.09(4) ?
Sc2 Ge3 Sc1 3_657 8_766 83.28(3) ?
Gd2 Ge3 Sc1 3_657 8_766 83.28(3) ?
Sc2 Ge3 Sc1 5_667 8_766 141.76(5) ?
Gd2 Ge3 Sc1 5_667 8_766 141.76(5) ?
Gd1 Ge3 Sc1 8_766 8_766 0.000(17) ?
Ge2 Ge3 Gd1 1_556 2_665 132.513(19) ?
Sc3 Ge3 Gd1 6_657 2_665 73.78(4) ?
Sc3 Ge3 Gd1 . 2_665 73.09(4) ?
Sc2 Ge3 Gd1 3_657 2_665 141.76(5) ?
Gd2 Ge3 Gd1 3_657 2_665 141.76(5) ?
Sc2 Ge3 Gd1 5_667 2_665 83.28(3) ?
Gd2 Ge3 Gd1 5_667 2_665 83.28(3) ?
Gd1 Ge3 Gd1 8_766 2_665 94.96(4) ?
Sc1 Ge3 Gd1 8_766 2_665 94.96(4) ?
Ge2 Ge3 Sc1 1_556 2_665 132.513(19) ?
Sc3 Ge3 Sc1 6_657 2_665 73.78(4) ?
Sc3 Ge3 Sc1 . 2_665 73.09(4) ?
Sc2 Ge3 Sc1 3_657 2_665 141.76(5) ?
Gd2 Ge3 Sc1 3_657 2_665 141.76(5) ?
Sc2 Ge3 Sc1 5_667 2_665 83.28(3) ?
Gd2 Ge3 Sc1 5_667 2_665 83.28(3) ?
Gd1 Ge3 Sc1 8_766 2_665 94.96(4) ?
Sc1 Ge3 Sc1 8_766 2_665 94.96(4) ?
Gd1 Ge3 Sc1 2_665 2_665 0.000(17) ?
Ge2 Ge3 Gd1 1_556 5_666 64.56(3) ?
Sc3 Ge3 Gd1 6_657 5_666 134.19(2) ?
Sc3 Ge3 Gd1 . 5_666 71.12(4) ?
Sc2 Ge3 Gd1 3_657 5_666 124.12(5) ?
Gd2 Ge3 Gd1 3_657 5_666 124.12(5) ?
Sc2 Ge3 Gd1 5_667 5_666 72.92(3) ?
Gd2 Ge3 Gd1 5_667 5_666 72.92(3) ?
Gd1 Ge3 Gd1 8_766 5_666 144.10(4) ?
Sc1 Ge3 Gd1 8_766 5_666 144.10(4) ?
Gd1 Ge3 Gd1 2_665 5_666 77.357(18) ?
Sc1 Ge3 Gd1 2_665 5_666 77.357(18) ?
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
Gd1 Ge3 2_664 2.9452(9) ?
Gd1 Ge1 6_656 2.9605(10) ?
Gd1 Ge1 . 3.1097(10) ?
Gd1 Ge3 5_666 3.1101(10) ?
Gd1 Ge2 5_665 3.1478(10) ?
Gd1 Ge1 5_766 3.1519(10) ?
Gd1 Ge1 2_664 3.1861(10) ?
Gd1 Sc3 2_664 3.4681(17) ?
Gd1 Sc3 5_666 3.4877(17) ?
Gd1 Sc2 2_664 3.5083(15) ?
Gd1 Gd2 2_664 3.5083(15) ?
Gd1 Gd2 1_554 3.5762(15) ?
Gd2 Ge1 . 2.7421(15) ?
Gd2 Ge2 2_565 2.7668(16) ?
Gd2 Ge1 2_665 2.8070(16) ?
Gd2 Ge2 5_666 2.8234(17) ?
Gd2 Ge1 6_557 2.8759(17) ?
Gd2 Ge3 5_667 2.9010(16) ?
Gd2 Sc3 2_565 3.268(2) ?
Gd2 Sc3 5_666 3.283(2) ?
Gd2 Gd1 2_665 3.5083(15) ?
Gd2 Sc1 2_665 3.5083(15) ?
Gd2 Sc2 7_565 3.552(3) ?
Gd2 Gd2 7_565 3.552(3) ?
Sc3 Ge2 6_656 2.800(2) ?
Sc3 Ge3 6_557 2.864(2) ?
Sc3 Ge3 . 2.878(2) ?
Sc3 Ge1 3_656 2.9614(10) ?
Sc3 Ge1 5_666 2.9614(10) ?
Sc3 Ge2 . 2.977(2) ?
Sc3 Sc2 2_564 3.268(2) ?
Sc3 Gd2 2_564 3.268(2) ?
Sc3 Sc2 8_665 3.268(2) ?
Sc3 Gd2 8_665 3.268(2) ?
Sc3 Sc2 3_656 3.283(2) ?
Sc3 Gd2 5_666 3.283(2) ?
Ge1 Sc2 2_664 2.8070(16) ?
Ge1 Gd2 2_664 2.8070(16) ?
Ge1 Sc2 6_657 2.8759(17) ?
Ge1 Gd2 6_657 2.8759(17) ?
Ge1 Ge1 5_766 2.8907(17) ?
Ge1 Gd1 6_556 2.9605(10) ?
Ge1 Sc1 6_556 2.9605(10) ?
Ge1 Sc3 5_666 2.9614(10) ?
Ge2 Ge3 1_554 2.7572(17) ?
Ge2 Sc2 8_665 2.7668(16) ?
Ge2 Gd2 8_665 2.7668(16) ?
Ge2 Sc2 2_564 2.7668(16) ?
Ge2 Gd2 2_564 2.7668(16) ?
Ge2 Sc3 6_556 2.800(2) ?
Ge2 Sc2 3_656 2.8234(17) ?
Ge2 Gd2 3_656 2.8234(17) ?
Ge2 Gd2 5_666 2.8234(17) ?
Ge2 Sc2 5_666 2.8234(17) ?
Ge2 Sc1 5_665 3.1478(10) ?
Ge3 Ge2 1_556 2.7572(17) ?
Ge3 Sc3 6_657 2.864(2) ?
Ge3 Sc2 3_657 2.9010(16) ?
Ge3 Gd2 3_657 2.9010(16) ?
Ge3 Sc2 5_667 2.9010(16) ?
Ge3 Gd2 5_667 2.9010(16) ?
Ge3 Gd1 8_766 2.9452(9) ?
Ge3 Sc1 8_766 2.9452(9) ?
Ge3 Gd1 2_665 2.9452(9) ?
Ge3 Sc1 2_665 2.9452(9) ?
Ge3 Gd1 5_666 3.1101(10) ?
