#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/77/4327757.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4327757
loop_
_publ_author_name
'Pavlo Solokha'
'Serena De Negri'
'Monika Skrobanska'
'Adriana Saccone'
'Volodymyr Pavlyuk'
'Davide M. Proserpio'
_publ_section_title
;
 New Ternary Germanides La4Mg5Ge6 and La4Mg7Ge6: Crystal Structure and
 Chemical Bonding
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              207
_journal_page_last               214
_journal_paper_doi               10.1021/ic2014732
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         '2(Ge3 La2 Mg3), Mg'
_chemical_formula_sum            'Ge6 La4 Mg7'
_chemical_formula_weight         1161.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 122.25(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.878(3)
_cell_length_b                   4.4702(9)
_cell_length_c                   12.660(3)
_cell_measurement_temperature    296(2)
_cell_volume                     807.8(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0174
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9817
_diffrn_reflns_theta_full        31.77
_diffrn_reflns_theta_max         31.77
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    21.550
_exptl_crystal_density_diffrn    4.775
_exptl_crystal_F_000             1008
_refine_diff_density_max         1.169
_refine_diff_density_min         -1.009
_refine_diff_density_rms         0.188
_refine_ls_extinction_coef       0.00085(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_matrix_type           full
_refine_ls_number_parameters     54
_refine_ls_number_reflns         1466
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.0208
_refine_ls_R_factor_gt           0.0186
_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)+(0.0124P)²+4.7007P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0375
_refine_ls_wR_factor_ref         0.0381
_reflns_number_gt                1372
_reflns_number_total             1466
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2014732_si_002.cif
_cod_data_source_block           la4mg7ge6
_cod_original_cell_volume        807.7(3)
_cod_original_sg_symbol_Hall     '-C 2y '
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4327757
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
La1 La 0.370030(16) 0.0000 0.15966(2) 0.00940(6) Uani 1 2 d S
La2 La 0.266274(16) 0.0000 0.38746(2) 0.00939(6) Uani 1 2 d S
Ge1 Ge 0.14871(3) 0.0000 0.02819(4) 0.00979(9) Uani 1 2 d S
Ge2 Ge 0.11938(3) 0.0000 0.64961(4) 0.00956(9) Uani 1 2 d S
Ge3 Ge 0.60600(3) 0.0000 0.30955(4) 0.01060(9) Uani 1 2 d S
Mg1 Mg 0.06030(10) 0.0000 0.39472(14) 0.0116(3) Uani 1 2 d S
Mg2 Mg 0.68866(11) 0.0000 0.15461(14) 0.0142(3) Uani 1 2 d S
Mg3 Mg 0.03826(11) 0.0000 0.13742(14) 0.0151(3) Uani 1 2 d S
Mg4 Mg 0.0000 0.5000 0.5000 0.0134(4) Uani 1 4 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 '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'
La La -0.2871 2.4523 '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
Ge1 La1 Ge1 90.25(2) 7_545 7
Ge1 La1 Ge1 89.33(3) 7_545 .
Ge1 La1 Ge1 89.33(3) 7 .
Ge1 La1 Ge2 177.417(13) 7_545 7_556
Ge1 La1 Ge2 90.951(19) 7 7_556
Ge1 La1 Ge2 88.40(3) . 7_556
Ge1 La1 Ge2 90.951(19) 7_545 7_546
Ge1 La1 Ge2 177.417(13) 7 7_546
Ge1 La1 Ge2 88.40(3) . 7_546
Ge2 La1 Ge2 87.76(2) 7_556 7_546
Ge1 La1 Ge3 92.14(3) 7_545 .
Ge1 La1 Ge3 92.14(3) 7 .
Ge1 La1 Ge3 177.920(13) . .
Ge2 La1 Ge3 90.10(3) 7_556 .
Ge2 La1 Ge3 90.10(3) 7_546 .
Ge1 La1 Mg2 45.517(11) 7_545 5_655
Ge1 La1 Mg2 45.517(11) 7 5_655
Ge1 La1 Mg2 82.30(4) . 5_655
Ge2 La1 Mg2 135.236(12) 7_556 5_655
Ge2 La1 Mg2 135.236(12) 7_546 5_655
Ge3 La1 Mg2 99.78(4) . 5_655
Ge1 La1 Mg4 130.252(12) 7_545 3_545
Ge1 La1 Mg4 130.252(12) 7 3_545
Ge1 La1 Mg4 114.64(3) . 3_545
Ge2 La1 Mg4 49.983(12) 7_556 3_545
Ge2 La1 Mg4 49.983(12) 7_546 3_545
Ge3 La1 Mg4 63.28(3) . 3_545
Mg2 La1 Mg4 163.06(3) 5_655 3_545
Ge1 La1 Mg1 136.23(3) 7_545 3
Ge1 La1 Mg1 82.78(3) 7 3
Ge1 La1 Mg1 133.46(3) . 3
Ge2 La1 Mg1 46.24(3) 7_556 3
Ge2 La1 Mg1 97.91(3) 7_546 3
Ge3 La1 Mg1 45.39(3) . 3
Mg2 La1 Mg1 119.98(4) 5_655 3
Mg4 La1 Mg1 48.66(3) 3_545 3
Ge1 La1 Mg1 82.78(3) 7_545 3_545
Ge1 La1 Mg1 136.23(3) 7 3_545
Ge1 La1 Mg1 133.46(3) . 3_545
Ge2 La1 Mg1 97.91(3) 7_556 3_545
Ge2 La1 Mg1 46.24(3) 7_546 3_545
Ge3 La1 Mg1 45.39(3) . 3_545
Mg2 La1 Mg1 119.98(4) 5_655 3_545
Mg4 La1 Mg1 48.66(3) 3_545 3_545
Mg1 La1 Mg1 73.47(4) 3 3_545
Ge1 La1 Mg3 98.13(3) 7_545 3
Ge1 La1 Mg3 45.13(3) 7 3
Ge1 La1 Mg3 133.50(2) . 3
Ge2 La1 Mg3 84.33(3) 7_556 3
Ge2 La1 Mg3 136.86(3) 7_546 3
Ge3 La1 Mg3 47.71(2) . 3
Mg2 La1 Mg3 71.62(4) 5_655 3
Mg4 La1 Mg3 94.98(3) 3_545 3
Mg1 La1 Mg3 48.57(3) 3 3
Mg1 La1 Mg3 93.05(3) 3_545 3
Ge1 La1 Mg3 45.13(3) 7_545 3_545
Ge1 La1 Mg3 98.13(3) 7 3_545
Ge1 La1 Mg3 133.50(2) . 3_545
Ge2 La1 Mg3 136.86(3) 7_556 3_545
Ge2 La1 Mg3 84.33(3) 7_546 3_545
Ge3 La1 Mg3 47.71(2) . 3_545
Mg2 La1 Mg3 71.62(4) 5_655 3_545
Mg4 La1 Mg3 94.98(3) 3_545 3_545
Mg1 La1 Mg3 93.05(3) 3 3_545
Mg1 La1 Mg3 48.57(3) 3_545 3_545
Mg3 La1 Mg3 73.39(3) 3 3_545
Ge2 La2 Ge2 90.49(2) 7_556 7_546
Ge2 La2 Ge3 157.792(16) 7_556 3_445
Ge2 La2 Ge3 86.751(18) 7_546 3_445
Ge2 La2 Ge3 86.751(18) 7_556 3_455
Ge2 La2 Ge3 157.792(16) 7_546 3_455
Ge3 La2 Ge3 87.55(2) 3_445 3_455
Ge2 La2 Ge3 95.90(2) 7_556 5_656
Ge2 La2 Ge3 95.90(2) 7_546 5_656
Ge3 La2 Ge3 106.30(3) 3_445 5_656
Ge3 La2 Ge3 106.30(3) 3_455 5_656
Ge2 La2 Mg2 108.94(3) 7_556 3_445
Ge2 La2 Mg2 51.65(4) 7_546 3_445
Ge3 La2 Mg2 53.19(3) 3_445 3_445
Ge3 La2 Mg2 108.76(4) 3_455 3_445
Ge3 La2 Mg2 137.67(2) 5_656 3_445
Ge2 La2 Mg2 51.65(4) 7_556 3_455
Ge2 La2 Mg2 108.94(3) 7_546 3_455
Ge3 La2 Mg2 108.76(4) 3_445 3_455
Ge3 La2 Mg2 53.19(3) 3_455 3_455
Ge3 La2 Mg2 137.67(2) 5_656 3_455
Mg2 La2 Mg2 83.44(4) 3_445 3_455
Ge2 La2 Mg4 52.896(12) 7_556 3_545
Ge2 La2 Mg4 52.896(12) 7_546 3_545
Ge3 La2 Mg4 136.226(12) 3_445 3_545
Ge3 La2 Mg4 136.226(12) 3_455 3_545
Ge3 La2 Mg4 67.36(3) 5_656 3_545
Mg2 La2 Mg4 100.91(4) 3_445 3_545
Mg2 La2 Mg4 100.91(4) 3_455 3_545
Ge2 La2 Mg3 109.68(2) 7_556 .
Ge2 La2 Mg3 109.68(2) 7_546 .
Ge3 La2 Mg3 51.37(2) 3_445 .
Ge3 La2 Mg3 51.368(19) 3_455 .
Ge3 La2 Mg3 143.03(4) 5_656 .
Mg2 La2 Mg3 58.09(4) 3_445 .
Mg2 La2 Mg3 58.09(4) 3_455 .
Mg4 La2 Mg3 149.61(3) 3_545 .
Ge2 La2 Mg1 134.053(11) 7_556 .
Ge2 La2 Mg1 134.053(11) 7_546 .
Ge3 La2 Mg1 48.049(15) 3_445 .
Ge3 La2 Mg1 48.049(15) 3_455 .
Ge3 La2 Mg1 90.66(4) 5_656 .
Mg2 La2 Mg1 95.44(4) 3_445 .
Mg2 La2 Mg1 95.44(4) 3_455 .
Mg4 La2 Mg1 158.01(3) 3_545 .
Mg3 La2 Mg1 52.38(4) . .
Ge2 La2 Mg1 49.49(3) 7_556 7_556
Ge2 La2 Mg1 104.27(3) 7_546 7_556
Ge3 La2 Mg1 152.06(3) 3_445 7_556
Ge3 La2 Mg1 90.60(3) 3_455 7_556
Ge3 La2 Mg1 47.81(3) 5_656 7_556
Mg2 La2 Mg1 151.19(4) 3_445 7_556
Mg2 La2 Mg1 92.09(4) 3_455 7_556
Mg4 La2 Mg1 51.89(3) 3_545 7_556
Mg3 La2 Mg1 140.38(2) . 7_556
Mg1 La2 Mg1 113.34(3) . 7_556
Ge2 La2 Mg1 104.27(3) 7_556 7_546
Ge2 La2 Mg1 49.49(3) 7_546 7_546
Ge3 La2 Mg1 90.60(3) 3_445 7_546
Ge3 La2 Mg1 152.06(3) 3_455 7_546
Ge3 La2 Mg1 47.81(3) 5_656 7_546
Mg2 La2 Mg1 92.09(4) 3_445 7_546
Mg2 La2 Mg1 151.19(4) 3_455 7_546
Mg4 La2 Mg1 51.89(3) 3_545 7_546
Mg3 La2 Mg1 140.38(2) . 7_546
Mg1 La2 Mg1 113.34(3) . 7_546
Mg1 La2 Mg1 78.23(4) 7_556 7_546
Mg2 Ge1 Mg2 117.16(6) 3_455 3_445
Mg2 Ge1 Mg3 106.71(4) 3_455 5
Mg2 Ge1 Mg3 106.71(4) 3_445 5
Mg2 Ge1 Mg3 74.07(4) 3_455 .
Mg2 Ge1 Mg3 74.07(4) 3_445 .
Mg3 Ge1 Mg3 65.24(6) 5 .
Mg2 Ge1 La1 162.74(4) 3_455 7_545
Mg2 Ge1 La1 75.26(3) 3_445 7_545
Mg3 Ge1 La1 79.00(3) 5 7_545
Mg3 Ge1 La1 122.47(2) . 7_545
Mg2 Ge1 La1 75.26(3) 3_455 7
Mg2 Ge1 La1 162.74(4) 3_445 7
Mg3 Ge1 La1 79.00(3) 5 7
Mg3 Ge1 La1 122.47(2) . 7
La1 Ge1 La1 90.25(2) 7_545 7
Mg2 Ge1 La1 80.36(4) 3_455 .
Mg2 Ge1 La1 80.36(4) 3_445 .
Mg3 Ge1 La1 165.26(4) 5 .
Mg3 Ge1 La1 129.50(4) . .
La1 Ge1 La1 90.67(3) 7_545 .
La1 Ge1 La1 90.67(3) 7 .
Mg1 Ge2 Mg1 95.03(6) 5_556 .
Mg1 Ge2 Mg2 142.30(5) 5_556 5_656
Mg1 Ge2 Mg2 122.68(5) . 5_656
Mg1 Ge2 Mg4 64.44(3) 5_556 1_545
Mg1 Ge2 Mg4 63.85(3) . 1_545
Mg2 Ge2 Mg4 129.438(18) 5_656 1_545
Mg1 Ge2 Mg4 64.44(3) 5_556 .
Mg1 Ge2 Mg4 63.85(3) . .
Mg2 Ge2 Mg4 129.438(18) 5_656 .
Mg4 Ge2 Mg4 99.55(3) 1_545 .
Mg1 Ge2 La2 131.371(16) 5_556 7_556
Mg1 Ge2 La2 72.56(3) . 7_556
Mg2 Ge2 La2 68.01(3) 5_656 7_556
Mg4 Ge2 La2 135.296(19) 1_545 7_556
Mg4 Ge2 La2 68.06(2) . 7_556
Mg1 Ge2 La2 131.371(16) 5_556 7_546
Mg1 Ge2 La2 72.56(3) . 7_546
Mg2 Ge2 La2 68.01(3) 5_656 7_546
Mg4 Ge2 La2 68.06(2) 1_545 7_546
Mg4 Ge2 La2 135.296(19) . 7_546
La2 Ge2 La2 90.49(2) 7_556 7_546
Mg1 Ge2 La1 76.66(3) 5_556 7_556
Mg1 Ge2 La1 134.462(13) . 7_556
Mg2 Ge2 La1 76.41(3) 5_656 7_556
Mg4 Ge2 La1 139.262(19) 1_545 7_556
Mg4 Ge2 La1 72.50(2) . 7_556
La2 Ge2 La1 79.985(18) 7_556 7_556
La2 Ge2 La1 144.15(2) 7_546 7_556
Mg1 Ge2 La1 76.66(3) 5_556 7_546
Mg1 Ge2 La1 134.462(13) . 7_546
Mg2 Ge2 La1 76.41(3) 5_656 7_546
Mg4 Ge2 La1 72.50(2) 1_545 7_546
Mg4 Ge2 La1 139.262(19) . 7_546
La2 Ge2 La1 144.15(2) 7_556 7_546
La2 Ge2 La1 79.985(18) 7_546 7_546
La1 Ge2 La1 87.76(2) 7_556 7_546
Mg1 Ge3 Mg1 107.92(5) 3 3_545
Mg1 Ge3 Mg3 146.83(5) 3 3_545
Mg1 Ge3 Mg3 65.75(4) 3_545 3_545
Mg1 Ge3 Mg3 65.75(4) 3 3
Mg1 Ge3 Mg3 146.83(5) 3_545 3
Mg3 Ge3 Mg3 100.99(5) 3_545 3
Mg1 Ge3 Mg2 126.04(3) 3 .
Mg1 Ge3 Mg2 126.04(3) 3_545 .
Mg3 Ge3 Mg2 68.71(4) 3_545 .
Mg3 Ge3 Mg2 68.71(4) 3 .
Mg1 Ge3 La2 71.58(3) 3 3
Mg1 Ge3 La2 143.39(4) 3_545 3
Mg3 Ge3 La2 133.90(4) 3_545 3
Mg3 Ge3 La2 68.03(4) 3 3
Mg2 Ge3 La2 65.62(3) . 3
Mg1 Ge3 La2 143.39(4) 3 3_545
Mg1 Ge3 La2 71.58(3) 3_545 3_545
Mg3 Ge3 La2 68.03(4) 3_545 3_545
Mg3 Ge3 La2 133.90(4) 3 3_545
Mg2 Ge3 La2 65.62(3) . 3_545
La2 Ge3 La2 87.55(2) 3 3_545
Mg1 Ge3 La2 71.74(3) 3 5_656
Mg1 Ge3 La2 71.74(3) 3_545 5_656
Mg3 Ge3 La2 129.46(3) 3_545 5_656
Mg3 Ge3 La2 129.46(3) 3 5_656
Mg2 Ge3 La2 122.27(4) . 5_656
La2 Ge3 La2 73.70(3) 3 5_656
La2 Ge3 La2 73.70(3) 3_545 5_656
Mg1 Ge3 La1 74.23(3) 3 .
Mg1 Ge3 La1 74.23(3) 3_545 .
Mg3 Ge3 La1 72.76(4) 3_545 .
Mg3 Ge3 La1 72.76(4) 3 .
Mg2 Ge3 La1 117.43(4) . .
La2 Ge3 La1 135.726(13) 3 .
La2 Ge3 La1 135.726(13) 3_545 .
La2 Ge3 La1 120.30(3) 5_656 .
Ge3 Mg1 Ge3 107.92(5) 3_445 3_455
Ge3 Mg1 Ge2 115.06(4) 3_445 5_556
Ge3 Mg1 Ge2 115.06(4) 3_455 5_556
Ge3 Mg1 Ge2 116.35(4) 3_445 .
Ge3 Mg1 Ge2 116.35(4) 3_455 .
Ge2 Mg1 Ge2 84.97(6) 5_556 .
Ge3 Mg1 Mg4 78.759(18) 3_445 1_545
Ge3 Mg1 Mg4 173.29(5) 3_455 1_545
Ge2 Mg1 Mg4 60.23(3) 5_556 1_545
Ge2 Mg1 Mg4 59.73(3) . 1_545
Ge3 Mg1 Mg4 173.29(5) 3_445 .
Ge3 Mg1 Mg4 78.759(18) 3_455 .
Ge2 Mg1 Mg4 60.23(3) 5_556 .
Ge2 Mg1 Mg4 59.73(3) . .
Mg4 Mg1 Mg4 94.56(4) 1_545 .
Ge3 Mg1 Mg3 59.20(3) 3_445 .
Ge3 Mg1 Mg3 59.20(3) 3_455 .
Ge2 Mg1 Mg3 106.53(7) 5_556 .
Ge2 Mg1 Mg3 168.49(7) . .
Mg4 Mg1 Mg3 125.77(3) 1_545 .
Mg4 Mg1 Mg3 125.77(3) . .
Ge3 Mg1 La2 60.37(3) 3_445 .
Ge3 Mg1 La2 60.37(3) 3_455 .
Ge2 Mg1 La2 168.89(6) 5_556 .
Ge2 Mg1 La2 106.14(6) . .
Mg4 Mg1 La2 125.19(3) 1_545 .
Mg4 Mg1 La2 125.19(3) . .
Mg3 Mg1 La2 62.35(5) . .
Ge3 Mg1 La2 121.81(5) 3_445 7_556
Ge3 Mg1 La2 60.45(3) 3_455 7_556
Ge2 Mg1 La2 121.15(4) 5_556 7_556
Ge2 Mg1 La2 57.95(3) . 7_556
Mg4 Mg1 La2 116.94(5) 1_545 7_556
Mg4 Mg1 La2 61.71(2) . 7_556
Mg3 Mg1 La2 114.02(5) . 7_556
La2 Mg1 La2 66.66(3) . 7_556
Ge3 Mg1 La2 60.45(3) 3_445 7_546
Ge3 Mg1 La2 121.81(5) 3_455 7_546
Ge2 Mg1 La2 121.15(4) 5_556 7_546
Ge2 Mg1 La2 57.95(3) . 7_546
Mg4 Mg1 La2 61.71(2) 1_545 7_546
Mg4 Mg1 La2 116.94(5) . 7_546
Mg3 Mg1 La2 114.02(5) . 7_546
La2 Mg1 La2 66.66(3) . 7_546
La2 Mg1 La2 78.23(4) 7_556 7_546
Ge3 Mg1 La1 60.38(3) 3_445 3_445
Ge3 Mg1 La1 118.24(5) 3_455 3_445
Ge2 Mg1 La1 57.10(3) 5_556 3_445
Ge2 Mg1 La1 122.64(4) . 3_445
Mg4 Mg1 La1 64.10(2) 1_545 3_445
Mg4 Mg1 La1 116.24(5) . 3_445
Mg3 Mg1 La1 65.78(4) . 3_445
La2 Mg1 La1 114.80(4) . 3_445
La2 Mg1 La1 177.53(3) 7_556 3_445
La2 Mg1 La1 104.15(3) 7_546 3_445
Ge3 Mg1 La1 118.24(5) 3_445 3_455
Ge3 Mg1 La1 60.38(3) 3_455 3_455
Ge2 Mg1 La1 57.10(3) 5_556 3_455
Ge2 Mg1 La1 122.64(4) . 3_455
Mg4 Mg1 La1 116.24(5) 1_545 3_455
Mg4 Mg1 La1 64.10(2) . 3_455
Mg3 Mg1 La1 65.78(4) . 3_455
La2 Mg1 La1 114.80(4) . 3_455
La2 Mg1 La1 104.15(3) 7_556 3_455
La2 Mg1 La1 177.53(3) 7_546 3_455
La1 Mg1 La1 73.47(4) 3_445 3_455
Ge1 Mg2 Ge1 117.16(6) 3_545 3
Ge1 Mg2 Ge2 109.57(4) 3_545 5_656
Ge1 Mg2 Ge2 109.57(4) 3 5_656
Ge1 Mg2 Ge3 110.31(4) 3_545 .
Ge1 Mg2 Ge3 110.31(4) 3 .
Ge2 Mg2 Ge3 98.26(5) 5_656 .
Ge1 Mg2 Mg3 56.21(3) 3_545 3_545
Ge1 Mg2 Mg3 126.83(7) 3 3_545
Ge2 Mg2 Mg3 122.44(4) 5_656 3_545
Ge3 Mg2 Mg3 54.85(4) . 3_545
Ge1 Mg2 Mg3 126.83(7) 3_545 3
Ge1 Mg2 Mg3 56.21(3) 3 3
Ge2 Mg2 Mg3 122.44(4) 5_656 3
Ge3 Mg2 Mg3 54.85(4) . 3
Mg3 Mg2 Mg3 85.23(6) 3_545 3
Ge1 Mg2 La2 163.11(5) 3_545 3
Ge1 Mg2 La2 79.69(3) 3 3
Ge2 Mg2 La2 60.34(3) 5_656 3
Ge3 Mg2 La2 61.19(3) . 3
Mg3 Mg2 La2 115.75(6) 3_545 3
Mg3 Mg2 La2 62.18(4) 3 3
Ge1 Mg2 La2 79.69(3) 3_545 3_545
Ge1 Mg2 La2 163.11(5) 3 3_545
Ge2 Mg2 La2 60.34(3) 5_656 3_545
Ge3 Mg2 La2 61.19(3) . 3_545
Mg3 Mg2 La2 62.18(4) 3_545 3_545
Mg3 Mg2 La2 115.75(6) 3 3_545
La2 Mg2 La2 83.44(4) 3 3_545
Ge1 Mg2 La1 59.23(3) 3_545 5_655
Ge1 Mg2 La1 59.23(3) 3 5_655
Ge2 Mg2 La1 118.95(6) 5_656 5_655
Ge3 Mg2 La1 142.79(6) . 5_655
Mg3 Mg2 La1 100.45(5) 3_545 5_655
Mg3 Mg2 La1 100.45(5) 3 5_655
La2 Mg2 La1 136.76(2) 3 5_655
La2 Mg2 La1 136.76(2) 3_545 5_655
Ge1 Mg2 La1 117.32(5) 3_545 3
Ge1 Mg2 La1 56.31(3) 3 3
Ge2 Mg2 La1 56.40(3) 5_656 3
Ge3 Mg2 La1 131.10(4) . 3
Mg3 Mg2 La1 173.31(4) 3_545 3
Mg3 Mg2 La1 100.89(3) 3 3
La2 Mg2 La1 69.95(3) 3 3
La2 Mg2 La1 116.60(5) 3_545 3
La1 Mg2 La1 75.93(4) 5_655 3
Ge1 Mg2 La1 56.31(3) 3_545 3_545
Ge1 Mg2 La1 117.32(5) 3 3_545
Ge2 Mg2 La1 56.40(3) 5_656 3_545
Ge3 Mg2 La1 131.10(4) . 3_545
Mg3 Mg2 La1 100.89(3) 3_545 3_545
Mg3 Mg2 La1 173.31(4) 3 3_545
La2 Mg2 La1 116.60(5) 3 3_545
La2 Mg2 La1 69.95(3) 3_545 3_545
La1 Mg2 La1 75.93(4) 5_655 3_545
La1 Mg2 La1 72.88(3) 3 3_545
Ge1 Mg3 Ge1 114.76(6) 5 .
Ge1 Mg3 Ge3 114.37(4) 5 3_455
Ge1 Mg3 Ge3 105.48(4) . 3_455
Ge1 Mg3 Ge3 114.37(4) 5 3_445
Ge1 Mg3 Ge3 105.48(4) . 3_445
Ge3 Mg3 Ge3 100.99(5) 3_455 3_445
Ge1 Mg3 Mg3 59.84(6) 5 5
Ge1 Mg3 Mg3 54.92(6) . 5
Ge3 Mg3 Mg3 128.75(3) 3_455 5
Ge3 Mg3 Mg3 128.75(3) 3_445 5
Ge1 Mg3 Mg1 104.66(7) 5 .
Ge1 Mg3 Mg1 140.58(7) . .
Ge3 Mg3 Mg1 55.05(3) 3_455 .
Ge3 Mg3 Mg1 55.05(3) 3_445 .
Mg3 Mg3 Mg1 164.50(9) 5 .
Ge1 Mg3 Mg2 126.16(4) 5 3_455
Ge1 Mg3 Mg2 49.72(3) . 3_455
Ge3 Mg3 Mg2 56.44(3) 3_455 3_455
Ge3 Mg3 Mg2 119.47(6) 3_445 3_455
Mg3 Mg3 Mg2 85.20(6) 5 3_455
Mg1 Mg3 Mg2 106.03(5) . 3_455
Ge1 Mg3 Mg2 126.16(4) 5 3_445
Ge1 Mg3 Mg2 49.72(3) . 3_445
Ge3 Mg3 Mg2 119.47(6) 3_455 3_445
Ge3 Mg3 Mg2 56.44(3) 3_445 3_445
Mg3 Mg3 Mg2 85.20(6) 5 3_445
Mg1 Mg3 Mg2 106.03(5) . 3_445
Mg2 Mg3 Mg2 85.23(6) 3_455 3_445
Ge1 Mg3 La2 169.93(6) 5 .
Ge1 Mg3 La2 75.31(4) . .
Ge3 Mg3 La2 60.60(3) 3_455 .
Ge3 Mg3 La2 60.60(3) 3_445 .
Mg3 Mg3 La2 130.23(8) 5 .
Mg1 Mg3 La2 65.27(5) . .
Mg2 Mg3 La2 59.73(4) 3_455 .
Mg2 Mg3 La2 59.73(4) 3_445 .
Ge1 Mg3 La1 55.87(3) 5 3_445
Ge1 Mg3 La1 139.04(3) . 3_445
Ge3 Mg3 La1 114.53(5) 3_455 3_445
Ge3 Mg3 La1 59.54(3) 3_445 3_445
Mg3 Mg3 La1 102.32(6) 5 3_445
Mg1 Mg3 La1 65.66(4) . 3_445
Mg2 Mg3 La1 170.96(5) 3_455 3_445
Mg2 Mg3 La1 100.27(3) 3_445 3_445
La2 Mg3 La1 116.89(4) . 3_445
Ge1 Mg3 La1 55.87(3) 5 3_455
Ge1 Mg3 La1 139.04(3) . 3_455
Ge3 Mg3 La1 59.54(3) 3_455 3_455
Ge3 Mg3 La1 114.53(5) 3_445 3_455
Mg3 Mg3 La1 102.32(6) 5 3_455
Mg1 Mg3 La1 65.66(4) . 3_455
Mg2 Mg3 La1 100.27(3) 3_455 3_455
Mg2 Mg3 La1 170.96(5) 3_445 3_455
La2 Mg3 La1 116.89(4) . 3_455
La1 Mg3 La1 73.39(3) 3_445 3_455
Ge2 Mg4 Ge2 180.0 1_565 5_556
Ge2 Mg4 Ge2 99.55(3) 1_565 .
Ge2 Mg4 Ge2 80.45(3) 5_556 .
Ge2 Mg4 Ge2 80.45(3) 1_565 5_566
Ge2 Mg4 Ge2 99.55(3) 5_556 5_566
Ge2 Mg4 Ge2 180.0 . 5_566
Ge2 Mg4 Mg1 124.66(3) 1_565 .
Ge2 Mg4 Mg1 55.34(3) 5_556 .
Ge2 Mg4 Mg1 56.42(3) . .
Ge2 Mg4 Mg1 123.58(3) 5_566 .
Ge2 Mg4 Mg1 55.34(3) 1_565 5_566
Ge2 Mg4 Mg1 124.66(3) 5_556 5_566
Ge2 Mg4 Mg1 123.58(3) . 5_566
Ge2 Mg4 Mg1 56.42(3) 5_566 5_566
Mg1 Mg4 Mg1 180.0 . 5_566
Ge2 Mg4 Mg1 123.58(3) 1_565 5_556
Ge2 Mg4 Mg1 56.42(3) 5_556 5_556
Ge2 Mg4 Mg1 55.34(3) . 5_556
Ge2 Mg4 Mg1 124.66(3) 5_566 5_556
Mg1 Mg4 Mg1 85.44(4) . 5_556
Mg1 Mg4 Mg1 94.56(4) 5_566 5_556
Ge2 Mg4 Mg1 56.42(3) 1_565 1_565
Ge2 Mg4 Mg1 123.58(3) 5_556 1_565
Ge2 Mg4 Mg1 124.66(3) . 1_565
Ge2 Mg4 Mg1 55.34(3) 5_566 1_565
Mg1 Mg4 Mg1 94.56(4) . 1_565
Mg1 Mg4 Mg1 85.44(4) 5_566 1_565
Mg1 Mg4 Mg1 180.0 5_556 1_565
Ge2 Mg4 La2 120.958(19) 1_565 3_455
Ge2 Mg4 La2 59.042(19) 5_556 3_455
Ge2 Mg4 La2 120.958(19) . 3_455
Ge2 Mg4 La2 59.042(19) 5_566 3_455
Mg1 Mg4 La2 113.61(3) . 3_455
Mg1 Mg4 La2 66.39(3) 5_566 3_455
Mg1 Mg4 La2 66.39(3) 5_556 3_455
Mg1 Mg4 La2 113.61(3) 1_565 3_455
Ge2 Mg4 La2 59.042(19) 1_565 7_556
Ge2 Mg4 La2 120.958(19) 5_556 7_556
Ge2 Mg4 La2 59.042(19) . 7_556
Ge2 Mg4 La2 120.958(19) 5_566 7_556
Mg1 Mg4 La2 66.39(3) . 7_556
Mg1 Mg4 La2 113.61(3) 5_566 7_556
Mg1 Mg4 La2 113.61(3) 5_556 7_556
Mg1 Mg4 La2 66.39(3) 1_565 7_556
La2 Mg4 La2 180.000(8) 3_455 7_556
Ge2 Mg4 La1 57.52(2) 1_565 7_556
Ge2 Mg4 La1 122.48(2) 5_556 7_556
Ge2 Mg4 La1 57.52(2) . 7_556
Ge2 Mg4 La1 122.48(2) 5_566 7_556
Mg1 Mg4 La1 112.76(3) . 7_556
Mg1 Mg4 La1 67.24(3) 5_566 7_556
Mg1 Mg4 La1 67.24(3) 5_556 7_556
Mg1 Mg4 La1 112.76(3) 1_565 7_556
La2 Mg4 La1 109.06(3) 3_455 7_556
La2 Mg4 La1 70.94(3) 7_556 7_556
Ge2 Mg4 La1 122.48(2) 1_565 3_455
Ge2 Mg4 La1 57.52(2) 5_556 3_455
Ge2 Mg4 La1 122.48(2) . 3_455
Ge2 Mg4 La1 57.52(2) 5_566 3_455
Mg1 Mg4 La1 67.24(3) . 3_455
Mg1 Mg4 La1 112.76(3) 5_566 3_455
Mg1 Mg4 La1 112.76(3) 5_556 3_455
Mg1 Mg4 La1 67.24(3) 1_565 3_455
La2 Mg4 La1 70.94(3) 3_455 3_455
La2 Mg4 La1 109.06(3) 7_556 3_455
La1 Mg4 La1 180.0 7_556 3_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 Ge1 3.1541(6) 7_545
La1 Ge1 3.1541(6) 7
La1 Ge1 3.1760(12) .
La1 Ge2 3.2245(6) 7_556
La1 Ge2 3.2245(6) 7_546
La1 Ge3 3.3756(13) .
La1 Mg2 3.5502(18) 5_655
La1 Mg4 3.6453(14) 3_545
La1 Mg1 3.7368(17) 3
La1 Mg1 3.7368(17) 3_545
La1 Mg3 3.7402(14) 3
La1 Mg3 3.7402(14) 3_545
La2 Ge2 3.1476(6) 7_556
La2 Ge2 3.1476(6) 7_546
La2 Ge3 3.2308(7) 3_445
La2 Ge3 3.2308(7) 3_455
La2 Ge3 3.2457(14) 5_656
La2 Mg2 3.3586(13) 3_445
La2 Mg2 3.3586(13) 3_455
La2 Mg4 3.4047(11) 3_545
La2 Mg3 3.439(2) .
La2 Mg1 3.5262(17) .
La2 Mg1 3.5429(16) 7_556
La2 Mg1 3.5429(16) 7_546
Ge1 Mg2 2.6191(9) 3_455
Ge1 Mg2 2.6191(9) 3_445
Ge1 Mg3 2.700(2) 5
Ge1 Mg3 2.8529(17) .
Ge1 La1 3.1541(6) 7_545
Ge1 La1 3.1541(6) 7
Ge2 Mg1 2.7739(17) 5_556
Ge2 Mg1 2.8237(17) .
Ge2 Mg2 2.840(2) 5_656
Ge2 Mg4 2.9274(8) 1_545
Ge2 Mg4 2.9274(8) .
Ge2 La2 3.1476(6) 7_556
Ge2 La2 3.1476(6) 7_546
Ge2 La1 3.2245(6) 7_556
Ge2 La1 3.2245(6) 7_546
Ge3 Mg1 2.7642(10) 3
Ge3 Mg1 2.7642(10) 3_545
Ge3 Mg3 2.8969(12) 3_545
Ge3 Mg3 2.8969(12) 3
Ge3 Mg2 2.9522(18) .
Ge3 La2 3.2308(7) 3
Ge3 La2 3.2308(7) 3_545
Ge3 La2 3.2457(14) 5_656
Mg1 Ge3 2.7642(10) 3_445
Mg1 Ge3 2.7642(10) 3_455
Mg1 Ge2 2.7739(17) 5_556
Mg1 Mg4 3.0423(11) 1_545
Mg1 Mg4 3.0423(11) .
Mg1 Mg3 3.075(2) .
Mg1 La2 3.5429(16) 7_556
Mg1 La2 3.5429(16) 7_546
Mg1 La1 3.7368(17) 3_445
Mg1 La1 3.7368(17) 3_455
Mg2 Ge1 2.6191(9) 3_545
Mg2 Ge1 2.6191(9) 3
Mg2 Ge2 2.840(2) 5_656
Mg2 Mg3 3.3011(18) 3_545
Mg2 Mg3 3.3011(18) 3
Mg2 La2 3.3586(13) 3
Mg2 La2 3.3586(13) 3_545
Mg2 La1 3.5502(18) 5_655
Mg2 La1 3.7631(15) 3
Mg2 La1 3.7631(15) 3_545
Mg3 Ge1 2.700(2) 5
Mg3 Ge3 2.8969(12) 3_455
Mg3 Ge3 2.8969(12) 3_445
Mg3 Mg3 2.996(3) 5
Mg3 Mg2 3.3011(18) 3_455
Mg3 Mg2 3.3011(18) 3_445
Mg3 La1 3.7402(14) 3_445
Mg3 La1 3.7402(14) 3_455
Mg4 Ge2 2.9274(8) 1_565
Mg4 Ge2 2.9274(8) 5_556
Mg4 Ge2 2.9274(8) 5_566
Mg4 Mg1 3.0423(11) 5_566
Mg4 Mg1 3.0423(11) 5_556
Mg4 Mg1 3.0423(11) 1_565
Mg4 La2 3.4047(11) 3_455
Mg4 La2 3.4047(11) 7_556
Mg4 La1 3.6453(14) 7_556
Mg4 La1 3.6454(14) 3_455
