#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:52:11 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179397 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/94/4329497.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_4329497
loop_
_publ_author_name
'Sheng-Ping Guo'
'Tae-Soo You'
'Ya-Ho Jung'
'Svilen Bobev'
_publ_section_title
;
 Synthesis, Crystal Chemistry, and Magnetic Properties of RE7Li8Ge10 and
 RE11Li12Ge16 (RE= La-Nd, Sm): New Members of the [REGe2]n[RELi2Ge]m
 Homologous Series
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6821
_journal_page_last               6829
_journal_paper_doi               10.1021/ic300566x
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         La7Li8Ge10
_chemical_formula_sum            'Ge10 La7 Li8'
_chemical_formula_weight         1753.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_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            2
_cell_length_a                   6.9752(19)
_cell_length_b                   34.029(9)
_cell_length_c                   4.5172(12)
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.83
_cell_measurement_theta_min      2.39
_cell_volume                     1072.2(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  '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  0.0491
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            4783
_diffrn_reflns_theta_full        27.83
_diffrn_reflns_theta_max         27.83
_diffrn_reflns_theta_min         2.39
_exptl_absorpt_coefficient_mu    27.349
_exptl_absorpt_correction_T_max  0.4076
_exptl_absorpt_correction_T_min  0.2505
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    5.432
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1486
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.969
_refine_diff_density_min         -1.286
_refine_diff_density_rms         0.270
_refine_ls_extinction_coef       0.00079(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         780
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0240
_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/[σ²(Fo²)+(0.0176P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0500
_reflns_number_gt                609
_reflns_number_total             780
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300566x_si_002_1.cif
_cod_data_source_block           I
_cod_database_code               4329497
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -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 0.0000 0.160143(18) 0.5000 0.00929(18) Uani 1 4 d S
La2 La 0.0000 0.278971(17) 0.5000 0.00778(17) Uani 1 4 d S
La3 La 0.0000 0.441659(18) 0.0000 0.00919(17) Uani 1 4 d S
La4 La 0.0000 0.0000 0.0000 0.0085(2) Uani 1 8 d S
Ge1 Ge 0.17994(11) 0.21616(2) 0.0000 0.0095(2) Uani 1 2 d S
Ge2 Ge 0.0000 0.37293(3) 0.5000 0.0107(3) Uani 1 4 d S
Ge3 Ge 0.0000 0.09393(3) 0.0000 0.0104(3) Uani 1 4 d S
Ge4 Ge 0.31853(16) 0.0000 0.5000 0.0093(3) Uani 1 4 d S
Li1 Li 0.1879(19) 0.0739(4) 0.5000 0.011(3) Uiso 1 2 d S
Li2 Li 0.3122(19) 0.1440(4) 0.0000 0.016(3) Uiso 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 '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
Li2 La1 Li2 86.3(4) . 3
Li2 La1 Li2 90.3(3) . 1_556
Li2 La1 Li2 160.1(5) 3 1_556
Li2 La1 Li2 160.1(5) . 3_556
Li2 La1 Li2 90.3(3) 3 3_556
Li2 La1 Li2 86.3(4) 1_556 3_556
Li2 La1 Ge3 112.3(2) . 1_556
Li2 La1 Ge3 112.3(2) 3 1_556
Li2 La1 Ge3 51.4(2) 1_556 1_556
Li2 La1 Ge3 51.4(2) 3_556 1_556
Li2 La1 Ge3 51.4(2) . .
Li2 La1 Ge3 51.4(2) 3 .
Li2 La1 Ge3 112.3(2) 1_556 .
Li2 La1 Ge3 112.3(2) 3_556 .
Ge3 La1 Ge3 90.14(4) 1_556 .
Li2 La1 Ge1 109.5(2) . 1_556
Li2 La1 Ge1 150.3(2) 3 1_556
Li2 La1 Ge1 48.4(2) 1_556 1_556
Li2 La1 Ge1 82.58(19) 3_556 1_556
Ge3 La1 Ge1 85.49(3) 1_556 1_556
Ge3 La1 Ge1 156.529(17) . 1_556
Li2 La1 Ge1 150.3(2) . 3_556
Li2 La1 Ge1 109.5(2) 3 3_556
Li2 La1 Ge1 82.58(19) 1_556 3_556
Li2 La1 Ge1 48.4(2) 3_556 3_556
Ge3 La1 Ge1 85.49(3) 1_556 3_556
Ge3 La1 Ge1 156.529(17) . 3_556
Ge1 La1 Ge1 46.02(3) 1_556 3_556
Li2 La1 Ge1 82.58(19) . 3
Li2 La1 Ge1 48.4(2) 3 3
Li2 La1 Ge1 150.3(2) 1_556 3
Li2 La1 Ge1 109.5(2) 3_556 3
Ge3 La1 Ge1 156.529(17) 1_556 3
Ge3 La1 Ge1 85.49(3) . 3
Ge1 La1 Ge1 107.16(4) 1_556 3
Ge1 La1 Ge1 89.40(3) 3_556 3
Li2 La1 Ge1 48.4(2) . .
Li2 La1 Ge1 82.58(19) 3 .
Li2 La1 Ge1 109.5(2) 1_556 .
Li2 La1 Ge1 150.3(2) 3_556 .
Ge3 La1 Ge1 156.529(17) 1_556 .
Ge3 La1 Ge1 85.49(3) . .
Ge1 La1 Ge1 89.40(3) 1_556 .
Ge1 La1 Ge1 107.16(4) 3_556 .
Ge1 La1 Ge1 46.02(3) 3 .
Li2 La1 Li1 97.0(3) . 3_556
Li2 La1 Li1 64.1(3) 3 3_556
Li2 La1 Li1 97.0(3) 1_556 3_556
Li2 La1 Li1 64.1(3) 3_556 3_556
Ge3 La1 Li1 49.84(9) 1_556 3_556
Ge3 La1 Li1 49.84(9) . 3_556
Ge1 La1 Li1 134.54(4) 1_556 3_556
Ge1 La1 Li1 112.50(15) 3_556 3_556
Ge1 La1 Li1 112.50(15) 3 3_556
Ge1 La1 Li1 134.54(4) . 3_556
Li2 La1 Li1 64.1(3) . .
Li2 La1 Li1 97.0(3) 3 .
Li2 La1 Li1 64.1(3) 1_556 .
Li2 La1 Li1 97.0(3) 3_556 .
Ge3 La1 Li1 49.84(9) 1_556 .
Ge3 La1 Li1 49.84(9) . .
Ge1 La1 Li1 112.50(15) 1_556 .
Ge1 La1 Li1 134.54(4) 3_556 .
Ge1 La1 Li1 134.54(4) 3 .
Ge1 La1 Li1 112.50(15) . .
Li1 La1 Li1 48.1(5) 3_556 .
Ge1 La2 Ge1 174.03(4) 15_455 13_556
Ge1 La2 Ge1 90.51(3) 15_455 15_456
Ge1 La2 Ge1 89.18(3) 13_556 15_456
Ge1 La2 Ge1 89.18(3) 15_455 13
Ge1 La2 Ge1 90.51(3) 13_556 13
Ge1 La2 Ge1 174.03(4) 15_456 13
Ge1 La2 Ge2 87.015(18) 15_455 .
Ge1 La2 Ge2 87.015(18) 13_556 .
Ge1 La2 Ge2 87.015(18) 15_456 .
Ge1 La2 Ge2 87.015(18) 13 .
Ge1 La2 Ge1 79.49(2) 15_455 .
Ge1 La2 Ge1 104.41(2) 13_556 .
Ge1 La2 Ge1 140.74(2) 15_456 .
Ge1 La2 Ge1 44.93(3) 13 .
Ge2 La2 Ge1 129.596(17) . .
Ge1 La2 Ge1 44.93(3) 15_455 3
Ge1 La2 Ge1 140.74(2) 13_556 3
Ge1 La2 Ge1 104.41(2) 15_456 3
Ge1 La2 Ge1 79.49(2) 13 3
Ge2 La2 Ge1 129.596(16) . 3
Ge1 La2 Ge1 43.96(3) . 3
Ge1 La2 Ge1 104.41(2) 15_455 3_556
Ge1 La2 Ge1 79.49(2) 13_556 3_556
Ge1 La2 Ge1 44.93(3) 15_456 3_556
Ge1 La2 Ge1 140.74(2) 13 3_556
Ge2 La2 Ge1 129.596(17) . 3_556
Ge1 La2 Ge1 100.81(3) . 3_556
Ge1 La2 Ge1 84.68(3) 3 3_556
Ge1 La2 Ge1 140.74(2) 15_455 1_556
Ge1 La2 Ge1 44.93(3) 13_556 1_556
Ge1 La2 Ge1 79.49(2) 15_456 1_556
Ge1 La2 Ge1 104.41(2) 13 1_556
Ge2 La2 Ge1 129.596(17) . 1_556
Ge1 La2 Ge1 84.68(3) . 1_556
Ge1 La2 Ge1 100.81(3) 3 1_556
Ge1 La2 Ge1 43.96(3) 3_556 1_556
Ge1 La2 Li2 130.18(19) 15_455 13_556
Ge1 La2 Li2 44.03(19) 13_556 13_556
Ge1 La2 Li2 77.18(17) 15_456 13_556
Ge1 La2 Li2 98.52(17) 13 13_556
Ge2 La2 Li2 44.89(17) . 13_556
Ge1 La2 Li2 136.9(2) . 13_556
Ge1 La2 Li2 174.43(15) 3 13_556
Ge1 La2 Li2 99.96(13) 3_556 13_556
Ge1 La2 Li2 84.72(17) 1_556 13_556
Ge1 La2 Li2 98.52(17) 15_455 15_456
Ge1 La2 Li2 77.18(17) 13_556 15_456
Ge1 La2 Li2 44.03(19) 15_456 15_456
Ge1 La2 Li2 130.18(19) 13 15_456
Ge2 La2 Li2 44.89(17) . 15_456
Ge1 La2 Li2 174.43(15) . 15_456
Ge1 La2 Li2 136.9(2) 3 15_456
Ge1 La2 Li2 84.72(17) 3_556 15_456
Ge1 La2 Li2 99.96(13) 1_556 15_456
Li2 La2 Li2 41.5(4) 13_556 15_456
Ge1 La2 Li2 77.18(17) 15_455 13
Ge1 La2 Li2 98.52(17) 13_556 13
Ge1 La2 Li2 130.18(19) 15_456 13
Ge1 La2 Li2 44.03(19) 13 13
Ge2 La2 Li2 44.89(17) . 13
Ge1 La2 Li2 84.72(17) . 13
Ge1 La2 Li2 99.96(13) 3 13
Ge1 La2 Li2 174.43(15) 3_556 13
Ge1 La2 Li2 136.9(2) 1_556 13
Li2 La2 Li2 75.2(3) 13_556 13
Li2 La2 Li2 89.8(3) 15_456 13
Li1 La3 Li1 160.8(5) 15_454 13_556
Li1 La3 Li1 90.5(3) 15_454 15_455
Li1 La3 Li1 86.4(4) 13_556 15_455
Li1 La3 Li1 86.4(4) 15_454 13
Li1 La3 Li1 90.5(3) 13_556 13
Li1 La3 Li1 160.8(5) 15_455 13
Li1 La3 Li2 64.4(3) 15_454 15_455
Li1 La3 Li2 97.4(3) 13_556 15_455
Li1 La3 Li2 64.4(3) 15_455 15_455
Li1 La3 Li2 97.4(3) 13 15_455
Li1 La3 Li2 97.4(3) 15_454 13
Li1 La3 Li2 64.4(3) 13_556 13
Li1 La3 Li2 97.4(3) 15_455 13
Li1 La3 Li2 64.4(3) 13 13
Li2 La3 Li2 48.4(5) 15_455 13
Li1 La3 Ge2 111.9(2) 15_454 .
Li1 La3 Ge2 52.2(2) 13_556 .
Li1 La3 Ge2 52.2(2) 15_455 .
Li1 La3 Ge2 111.9(2) 13 .
Li2 La3 Ge2 48.99(10) 15_455 .
Li2 La3 Ge2 48.99(10) 13 .
Li1 La3 Ge2 52.2(2) 15_454 1_554
Li1 La3 Ge2 111.9(2) 13_556 1_554
Li1 La3 Ge2 111.9(2) 15_455 1_554
Li1 La3 Ge2 52.2(2) 13 1_554
Li2 La3 Ge2 48.99(10) 15_455 1_554
Li2 La3 Ge2 48.99(10) 13 1_554
Ge2 La3 Ge2 88.00(4) . 1_554
Li1 La3 Ge4 149.1(2) 15_454 13_556
Li1 La3 Ge4 49.0(2) 13_556 13_556
Li1 La3 Ge4 82.84(19) 15_455 13_556
Li1 La3 Ge4 109.1(2) 13 13_556
Li2 La3 Ge4 135.57(4) 15_455 13_556
Li2 La3 Ge4 113.33(16) 13 13_556
Ge2 La3 Ge4 87.53(2) . 13_556
Ge2 La3 Ge4 156.72(2) 1_554 13_556
Li1 La3 Ge4 109.1(2) 15_454 5_455
Li1 La3 Ge4 82.84(19) 13_556 5_455
Li1 La3 Ge4 49.0(2) 15_455 5_455
Li1 La3 Ge4 149.1(2) 13 5_455
Li2 La3 Ge4 113.33(16) 15_455 5_455
Li2 La3 Ge4 135.57(4) 13 5_455
Ge2 La3 Ge4 87.53(2) . 5_455
Ge2 La3 Ge4 156.72(2) 1_554 5_455
Ge4 La3 Ge4 45.66(4) 13_556 5_455
Li1 La3 Ge4 49.0(2) 15_454 5_454
Li1 La3 Ge4 149.1(2) 13_556 5_454
Li1 La3 Ge4 109.1(2) 15_455 5_454
Li1 La3 Ge4 82.84(19) 13 5_454
Li2 La3 Ge4 113.33(16) 15_455 5_454
Li2 La3 Ge4 135.57(4) 13 5_454
Ge2 La3 Ge4 156.72(2) . 5_454
Ge2 La3 Ge4 87.53(2) 1_554 5_454
Ge4 La3 Ge4 105.04(3) 13_556 5_454
Ge4 La3 Ge4 87.62(3) 5_455 5_454
Li1 La3 Ge4 82.84(19) 15_454 13
Li1 La3 Ge4 109.1(2) 13_556 13
Li1 La3 Ge4 149.1(2) 15_455 13
Li1 La3 Ge4 49.0(2) 13 13
Li2 La3 Ge4 135.57(4) 15_455 13
Li2 La3 Ge4 113.33(16) 13 13
Ge2 La3 Ge4 156.72(2) . 13
Ge2 La3 Ge4 87.53(2) 1_554 13
Ge4 La3 Ge4 87.62(3) 13_556 13
Ge4 La3 Ge4 105.04(3) 5_455 13
Ge4 La3 Ge4 45.66(4) 5_454 13
Ge4 La4 Ge4 90.94(4) 9 9_556
Ge4 La4 Ge4 89.06(4) 9 1_554
Ge4 La4 Ge4 180.0 9_556 1_554
Ge4 La4 Ge4 180.0 9 .
Ge4 La4 Ge4 89.06(4) 9_556 .
Ge4 La4 Ge4 90.94(4) 1_554 .
Ge4 La4 Ge3 90.0 9 .
Ge4 La4 Ge3 90.0 9_556 .
Ge4 La4 Ge3 90.0 1_554 .
Ge4 La4 Ge3 90.0 . .
Ge4 La4 Ge3 90.0 9 9
Ge4 La4 Ge3 90.0 9_556 9
Ge4 La4 Ge3 90.0 1_554 9
Ge4 La4 Ge3 90.0 . 9
Ge3 La4 Ge3 180.0 . 9
Ge4 La4 Li1 134.24(19) 9 .
Ge4 La4 Li1 79.01(16) 9_556 .
Ge4 La4 Li1 100.99(16) 1_554 .
Ge4 La4 Li1 45.76(19) . .
Ge3 La4 Li1 46.08(17) . .
Ge3 La4 Li1 133.92(17) 9 .
Ge4 La4 Li1 45.77(19) 9 9
Ge4 La4 Li1 100.99(16) 9_556 9
Ge4 La4 Li1 79.01(16) 1_554 9
Ge4 La4 Li1 134.23(19) . 9
Ge3 La4 Li1 133.92(17) . 9
Ge3 La4 Li1 46.08(17) 9 9
Li1 La4 Li1 179.999(1) . 9
Ge4 La4 Li1 79.01(16) 9 11_554
Ge4 La4 Li1 134.23(19) 9_556 11_554
Ge4 La4 Li1 45.77(19) 1_554 11_554
Ge4 La4 Li1 100.99(16) . 11_554
Ge3 La4 Li1 133.92(17) . 11_554
Ge3 La4 Li1 46.08(17) 9 11_554
Li1 La4 Li1 137.6(4) . 11_554
Li1 La4 Li1 42.4(4) 9 11_554
Ge4 La4 Li1 100.99(16) 9 3_556
Ge4 La4 Li1 45.77(19) 9_556 3_556
Ge4 La4 Li1 134.23(19) 1_554 3_556
Ge4 La4 Li1 79.01(16) . 3_556
Ge3 La4 Li1 46.08(17) . 3_556
Ge3 La4 Li1 133.92(17) 9 3_556
Li1 La4 Li1 42.4(4) . 3_556
Li1 La4 Li1 137.6(4) 9 3_556
Li1 La4 Li1 180.0(5) 11_554 3_556
Ge4 La4 Li1 134.23(19) 9 11
Ge4 La4 Li1 79.01(16) 9_556 11
Ge4 La4 Li1 100.99(16) 1_554 11
Ge4 La4 Li1 45.77(19) . 11
Ge3 La4 Li1 133.92(17) . 11
Ge3 La4 Li1 46.08(17) 9 11
Li1 La4 Li1 87.8(3) . 11
Li1 La4 Li1 92.2(3) 9 11
Li1 La4 Li1 77.1(3) 11_554 11
Li1 La4 Li1 102.9(3) 3_556 11
Ge4 La4 Li1 45.77(19) 9 3
Ge4 La4 Li1 100.99(16) 9_556 3
Ge4 La4 Li1 79.01(16) 1_554 3
Ge4 La4 Li1 134.23(19) . 3
Ge3 La4 Li1 46.08(17) . 3
Ge3 La4 Li1 133.92(17) 9 3
Li1 La4 Li1 92.2(3) . 3
Li1 La4 Li1 87.8(3) 9 3
Li1 La4 Li1 102.9(3) 11_554 3
Li1 La4 Li1 77.1(3) 3_556 3
Li1 La4 Li1 180.0(3) 11 3
Ge1 Ge1 Ge1 113.00(4) 13 3
Ge1 Ge1 Li2 136.4(3) 13 .
Ge1 Ge1 Li2 110.6(3) 3 .
Ge1 Ge1 La2 71.20(3) 13 13_556
Ge1 Ge1 La2 134.590(15) 3 13_556
Li2 Ge1 La2 78.6(2) . 13_556
Ge1 Ge1 La2 71.20(3) 13 13
Ge1 Ge1 La2 134.590(15) 3 13
Li2 Ge1 La2 78.6(2) . 13
La2 Ge1 La2 90.51(3) 13_556 13
Ge1 Ge1 La1 134.363(18) 13 .
Ge1 Ge1 La1 66.991(15) 3 .
Li2 Ge1 La1 65.27(19) . .
La2 Ge1 La1 78.80(2) 13_556 .
La2 Ge1 La1 143.60(3) 13 .
Ge1 Ge1 La1 134.364(18) 13 1_554
Ge1 Ge1 La1 66.991(15) 3 1_554
Li2 Ge1 La1 65.27(19) . 1_554
La2 Ge1 La1 143.60(3) 13_556 1_554
La2 Ge1 La1 78.80(2) 13 1_554
La1 Ge1 La1 89.40(3) . 1_554
Ge1 Ge1 La2 63.87(3) 13 1_554
Ge1 Ge1 La2 68.020(15) 3 1_554
Li2 Ge1 La2 136.74(6) . 1_554
La2 Ge1 La2 135.07(3) 13_556 1_554
La2 Ge1 La2 75.59(2) 13 1_554
La1 Ge1 La2 134.90(3) . 1_554
La1 Ge1 La2 76.01(2) 1_554 1_554
Ge1 Ge1 La2 63.87(3) 13 .
Ge1 Ge1 La2 68.020(15) 3 .
Li2 Ge1 La2 136.74(6) . .
La2 Ge1 La2 75.59(2) 13_556 .
La2 Ge1 La2 135.07(3) 13 .
La1 Ge1 La2 76.01(2) . .
La1 Ge1 La2 134.90(3) 1_554 .
La2 Ge1 La2 84.68(3) 1_554 .
Li2 Ge2 Li2 155.1(6) 15_455 13_556
Li2 Ge2 Li2 58.7(5) 15_455 13
Li2 Ge2 Li2 115.3(5) 13_556 13
Li2 Ge2 Li2 115.3(5) 15_455 15_456
Li2 Ge2 Li2 58.7(5) 13_556 15_456
Li2 Ge2 Li2 155.1(6) 13 15_456
Li2 Ge2 Li1 121.0(3) 15_455 13_556
Li2 Ge2 Li1 76.2(3) 13_556 13_556
Li2 Ge2 Li1 76.2(3) 13 13_556
Li2 Ge2 Li1 121.0(3) 15_456 13_556
Li2 Ge2 Li1 76.2(3) 15_455 15_455
Li2 Ge2 Li1 121.0(3) 13_556 15_455
Li2 Ge2 Li1 121.0(3) 13 15_455
Li2 Ge2 Li1 76.2(3) 15_456 15_455
Li1 Ge2 Li1 100.5(5) 13_556 15_455
Li2 Ge2 La2 77.6(3) 15_455 .
Li2 Ge2 La2 77.6(3) 13_556 .
Li2 Ge2 La2 77.6(3) 13 .
Li2 Ge2 La2 77.6(3) 15_456 .
Li1 Ge2 La2 129.7(3) 13_556 .
Li1 Ge2 La2 129.7(3) 15_455 .
Li2 Ge2 La3 137.9(3) 15_455 1_556
Li2 Ge2 La3 64.4(3) 13_556 1_556
Li2 Ge2 La3 137.9(3) 13 1_556
Li2 Ge2 La3 64.4(3) 15_456 1_556
Li1 Ge2 La3 62.63(17) 13_556 1_556
Li1 Ge2 La3 62.63(17) 15_455 1_556
La2 Ge2 La3 136.001(19) . 1_556
Li2 Ge2 La3 64.4(3) 15_455 .
Li2 Ge2 La3 137.9(3) 13_556 .
Li2 Ge2 La3 64.4(3) 13 .
Li2 Ge2 La3 137.9(3) 15_456 .
Li1 Ge2 La3 62.63(17) 13_556 .
Li1 Ge2 La3 62.63(17) 15_455 .
La2 Ge2 La3 136.001(19) . .
La3 Ge2 La3 88.00(4) 1_556 .
Li1 Ge3 Li1 58.1(5) 3 1_554
Li1 Ge3 Li1 113.6(5) 3 3_556
Li1 Ge3 Li1 150.7(5) 1_554 3_556
Li1 Ge3 Li1 150.7(5) 3 .
Li1 Ge3 Li1 113.6(5) 1_554 .
Li1 Ge3 Li1 58.1(5) 3_556 .
Li1 Ge3 Li2 76.9(3) 3 3
Li1 Ge3 Li2 122.5(2) 1_554 3
Li1 Ge3 Li2 76.9(3) 3_556 3
Li1 Ge3 Li2 122.6(2) . 3
Li1 Ge3 Li2 122.5(2) 3 .
Li1 Ge3 Li2 76.9(3) 1_554 .
Li1 Ge3 Li2 122.5(2) 3_556 .
Li1 Ge3 Li2 76.9(3) . .
Li2 Ge3 Li2 103.9(6) 3 .
Li1 Ge3 La1 65.5(3) 3 1_554
Li1 Ge3 La1 65.5(3) 1_554 1_554
Li1 Ge3 La1 140.4(3) 3_556 1_554
Li1 Ge3 La1 140.4(3) . 1_554
Li2 Ge3 La1 64.21(18) 3 1_554
Li2 Ge3 La1 64.20(18) . 1_554
Li1 Ge3 La1 140.4(3) 3 .
Li1 Ge3 La1 140.4(3) 1_554 .
Li1 Ge3 La1 65.5(3) 3_556 .
Li1 Ge3 La1 65.5(3) . .
Li2 Ge3 La1 64.20(18) 3 .
Li2 Ge3 La1 64.20(18) . .
La1 Ge3 La1 90.14(4) 1_554 .
Li1 Ge3 La4 75.4(3) 3 .
Li1 Ge3 La4 75.4(3) 1_554 .
Li1 Ge3 La4 75.4(3) 3_556 .
Li1 Ge3 La4 75.4(3) . .
Li2 Ge3 La4 128.0(3) 3 .
Li2 Ge3 La4 128.0(3) . .
La1 Ge3 La4 134.930(19) 1_554 .
La1 Ge3 La4 134.93(2) . .
Ge4 Ge4 Li1 109.9(3) 9_656 .
Ge4 Ge4 Li1 109.9(3) 9_656 11
Li1 Ge4 Li1 140.2(6) . 11
Ge4 Ge4 La4 134.530(18) 9_656 .
Li1 Ge4 La4 76.18(19) . .
Li1 Ge4 La4 76.18(19) 11 .
Ge4 Ge4 La4 134.530(18) 9_656 1_556
Li1 Ge4 La4 76.18(19) . 1_556
Li1 Ge4 La4 76.18(19) 11 1_556
La4 Ge4 La4 90.94(4) . 1_556
Ge4 Ge4 La3 67.17(2) 9_656 13_556
Li1 Ge4 La3 63.90(18) . 13_556
Li1 Ge4 La3 134.77(6) 11 13_556
La4 Ge4 La3 139.96(2) . 13_556
La4 Ge4 La3 77.207(17) 1_556 13_556
Ge4 Ge4 La3 67.17(2) 9_656 5_545
Li1 Ge4 La3 134.77(6) . 5_545
Li1 Ge4 La3 63.90(18) 11 5_545
La4 Ge4 La3 77.207(17) . 5_545
La4 Ge4 La3 139.96(2) 1_556 5_545
La3 Ge4 La3 134.34(4) 13_556 5_545
Ge4 Ge4 La3 67.17(2) 9_656 5_546
Li1 Ge4 La3 134.77(6) . 5_546
Li1 Ge4 La3 63.90(18) 11 5_546
La4 Ge4 La3 139.96(2) . 5_546
La4 Ge4 La3 77.207(17) 1_556 5_546
La3 Ge4 La3 74.96(3) 13_556 5_546
La3 Ge4 La3 87.62(3) 5_545 5_546
Ge4 Ge4 La3 67.17(2) 9_656 13
Li1 Ge4 La3 63.90(18) . 13
Li1 Ge4 La3 134.77(6) 11 13
La4 Ge4 La3 77.207(17) . 13
La4 Ge4 La3 139.96(2) 1_556 13
La3 Ge4 La3 87.62(3) 13_556 13
La3 Ge4 La3 74.96(3) 5_545 13
La3 Ge4 La3 134.34(4) 5_546 13
Li1 Li1 Ge4 109.9(3) 3_556 .
Li1 Li1 Ge3 61.0(2) 3_556 .
Ge4 Li1 Ge3 113.8(3) . .
Li1 Li1 Ge3 61.0(2) 3_556 1_556
Ge4 Li1 Ge3 113.8(3) . 1_556
Ge3 Li1 Ge3 113.6(5) . 1_556
Li1 Li1 Ge2 140.3(3) 3_556 13_556
Ge4 Li1 Ge2 109.8(4) . 13_556
Ge3 Li1 Ge2 102.2(3) . 13_556
Ge3 Li1 Ge2 102.2(3) 1_556 13_556
Li1 Li1 La3 133.18(18) 3_556 13_556
Ge4 Li1 La3 67.1(2) . 13_556
Ge3 Li1 La3 165.6(4) . 13_556
Ge3 Li1 La3 77.30(7) 1_556 13_556
Ge2 Li1 La3 65.2(2) 13_556 13_556
Li1 Li1 La3 133.18(18) 3_556 13
Ge4 Li1 La3 67.1(2) . 13
Ge3 Li1 La3 77.30(7) . 13
Ge3 Li1 La3 165.6(4) 1_556 13
Ge2 Li1 La3 65.2(2) 13_556 13
La3 Li1 La3 90.5(3) 13_556 13
Li1 Li1 La1 65.9(2) 3_556 .
Ge4 Li1 La1 175.9(5) . .
Ge3 Li1 La1 64.6(3) . .
Ge3 Li1 La1 64.6(3) 1_556 .
Ge2 Li1 La1 74.3(3) 13_556 .
La3 Li1 La1 115.5(3) 13_556 .
La3 Li1 La1 115.5(3) 13 .
Li1 Li1 Li2 104.8(3) 3_556 1_556
Ge4 Li1 Li2 125.0(4) . 1_556
Ge3 Li1 Li2 120.2(5) . 1_556
Ge3 Li1 Li2 52.4(2) 1_556 1_556
Ge2 Li1 Li2 49.8(3) 13_556 1_556
La3 Li1 Li2 58.0(2) 13_556 1_556
La3 Li1 Li2 114.5(4) 13 1_556
La1 Li1 Li2 57.5(3) . 1_556
Li1 Li1 Li2 104.8(3) 3_556 .
Ge4 Li1 Li2 125.0(4) . .
Ge3 Li1 Li2 52.4(2) . .
Ge3 Li1 Li2 120.2(5) 1_556 .
Ge2 Li1 Li2 49.8(3) 13_556 .
La3 Li1 Li2 114.5(4) 13_556 .
La3 Li1 Li2 58.0(2) 13 .
La1 Li1 Li2 57.5(3) . .
Li2 Li1 Li2 83.3(4) 1_556 .
Li1 Li1 La4 68.8(2) 3_556 .
Ge4 Li1 La4 58.1(2) . .
Ge3 Li1 La4 58.55(16) . .
Ge3 Li1 La4 121.4(4) 1_556 .
Ge2 Li1 La4 136.2(2) 13_556 .
La3 Li1 La4 125.0(4) 13_556 .
La3 Li1 La4 71.92(15) 13 .
La1 Li1 La4 119.1(3) . .
Li2 Li1 La4 173.4(4) 1_556 .
Li2 Li1 La4 99.50(16) . .
Li1 Li1 La4 68.8(2) 3_556 1_556
Ge4 Li1 La4 58.1(2) . 1_556
Ge3 Li1 La4 121.4(4) . 1_556
Ge3 Li1 La4 58.55(16) 1_556 1_556
Ge2 Li1 La4 136.2(2) 13_556 1_556
La3 Li1 La4 71.92(15) 13_556 1_556
La3 Li1 La4 125.0(4) 13 1_556
La1 Li1 La4 119.1(3) . 1_556
Li2 Li1 La4 99.50(16) 1_556 1_556
Li2 Li1 La4 173.4(4) . 1_556
La4 Li1 La4 77.1(3) . 1_556
Li2 Li2 Ge1 110.6(3) 3_655 .
Li2 Li2 Ge2 60.7(3) 3_655 13_556
Ge1 Li2 Ge2 112.0(3) . 13_556
Li2 Li2 Ge2 60.7(3) 3_655 13
Ge1 Li2 Ge2 112.0(3) . 13
Ge2 Li2 Ge2 115.3(5) 13_556 13
Li2 Li2 Ge3 142.0(3) 3_655 .
Ge1 Li2 Ge3 107.4(5) . .
Ge2 Li2 Ge3 104.7(3) 13_556 .
Ge2 Li2 Ge3 104.7(3) 13 .
Li2 Li2 La1 133.13(18) 3_655 1_554
Ge1 Li2 La1 66.3(3) . 1_554
Ge2 Li2 La1 166.2(4) 13_556 1_554
Ge2 Li2 La1 76.88(8) 13 1_554
Ge3 Li2 La1 64.4(2) . 1_554
Li2 Li2 La1 133.13(18) 3_655 .
Ge1 Li2 La1 66.3(3) . .
Ge2 Li2 La1 76.89(8) 13_556 .
Ge2 Li2 La1 166.2(4) 13 .
Ge3 Li2 La1 64.4(2) . .
La1 Li2 La1 90.3(3) 1_554 .
Li2 Li2 La3 65.8(2) 3_655 13
Ge1 Li2 La3 176.4(5) . 13
Ge2 Li2 La3 66.6(3) 13_556 13
Ge2 Li2 La3 66.6(3) 13 13
Ge3 Li2 La3 76.2(3) . 13
La1 Li2 La3 115.9(3) 1_554 13
La1 Li2 La3 115.9(3) . 13
Li2 Li2 Li1 104.8(3) 3_655 1_554
Ge1 Li2 Li1 124.6(4) . 1_554
Ge2 Li2 Li1 122.4(5) 13_556 1_554
Ge2 Li2 Li1 54.0(2) 13 1_554
Ge3 Li2 Li1 50.7(3) . 1_554
La1 Li2 Li1 58.3(2) 1_554 1_554
La1 Li2 Li1 114.7(4) . 1_554
La3 Li2 Li1 57.6(3) 13 1_554
Li2 Li2 Li1 104.8(3) 3_655 .
Ge1 Li2 Li1 124.6(4) . .
Ge2 Li2 Li1 54.0(2) 13_556 .
Ge2 Li2 Li1 122.4(5) 13 .
Ge3 Li2 Li1 50.7(3) . .
La1 Li2 Li1 114.7(4) 1_554 .
La1 Li2 Li1 58.3(2) . .
La3 Li2 Li1 57.6(3) 13 .
Li1 Li2 Li1 83.3(4) 1_554 .
Li2 Li2 La2 69.3(2) 3_655 13_556
Ge1 Li2 La2 57.4(2) . 13_556
Ge2 Li2 La2 57.55(18) 13_556 13_556
Ge2 Li2 La2 119.7(4) 13 13_556
Ge3 Li2 La2 135.7(3) . 13_556
La1 Li2 La2 123.6(4) 1_554 13_556
La1 Li2 La2 71.76(16) . 13_556
La3 Li2 La2 120.1(3) 13 13_556
Li1 Li2 La2 173.5(4) 1_554 13_556
Li1 Li2 La2 100.48(15) . 13_556
Li2 Li2 La2 69.3(2) 3_655 13
Ge1 Li2 La2 57.4(2) . 13
Ge2 Li2 La2 119.7(4) 13_556 13
Ge2 Li2 La2 57.55(17) 13 13
Ge3 Li2 La2 135.7(3) . 13
La1 Li2 La2 71.76(16) 1_554 13
La1 Li2 La2 123.6(4) . 13
La3 Li2 La2 120.1(3) 13 13
Li1 Li2 La2 100.48(15) 1_554 13
Li1 Li2 La2 173.5(4) . 13
La2 Li2 La2 75.2(3) 13_556 13
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 Li2 3.185(10) .
La1 Li2 3.185(10) 3
La1 Li2 3.185(10) 1_556
La1 Li2 3.185(10) 3_556
La1 Ge3 3.1902(11) 1_556
La1 Ge3 3.1903(11) .
La1 Ge1 3.2110(9) 1_556
La1 Ge1 3.2110(9) 3_556
La1 Ge1 3.2110(9) 3
La1 Ge1 3.2110(9) .
La1 Li1 3.214(13) 3_556
La1 Li1 3.214(13) .
La2 Ge1 3.1800(8) 15_455
La2 Ge1 3.1800(8) 13_556
La2 Ge1 3.1800(8) 15_456
La2 Ge1 3.1800(8) 13
La2 Ge2 3.1972(15) .
La2 Ge1 3.3533(9) .
La2 Ge1 3.3533(9) 3
La2 Ge1 3.3533(9) 3_556
La2 Ge1 3.3533(9) 1_556
La2 Li2 3.700(11) 13_556
La2 Li2 3.700(11) 15_456
La2 Li2 3.700(11) 13
La3 Li1 3.182(9) 15_454
La3 Li1 3.182(9) 13_556
La3 Li1 3.182(9) 15_455
La3 Li1 3.182(9) 13
La3 Li2 3.196(14) 15_455
La3 Li2 3.196(14) 13
La3 Ge2 3.2514(11) .
La3 Ge2 3.2515(11) 1_554
La3 Ge4 3.2627(8) 13_556
La3 Ge4 3.2627(8) 5_455
La3 Ge4 3.2627(8) 5_454
La3 Ge4 3.2627(8) 13
La4 Ge4 3.1682(10) 9
La4 Ge4 3.1682(10) 9_556
La4 Ge4 3.1682(10) 1_554
La4 Ge4 3.1682(10) .
La4 Ge3 3.1964(14) .
La4 Ge3 3.1965(14) 9
La4 Li1 3.625(10) .
La4 Li1 3.625(10) 9
La4 Li1 3.625(10) 11_554
La4 Li1 3.625(10) 3_556
La4 Li1 3.625(10) 11
La4 Li1 3.625(10) 3
Ge1 Ge1 2.5017(17) 13
Ge1 Ge1 2.5102(17) 3
Ge1 Li2 2.623(14) .
Ge1 La2 3.1801(8) 13_556
Ge1 La2 3.1801(8) 13
Ge1 La1 3.2110(9) 1_554
Ge1 La2 3.3532(9) 1_554
Ge2 Li2 2.674(7) 15_455
Ge2 Li2 2.674(7) 13_556
Ge2 Li2 2.674(7) 13
Ge2 Li2 2.674(7) 15_456
Ge2 Li1 2.831(13) 13_556
Ge2 Li1 2.831(13) 15_455
Ge2 La3 3.2514(11) 1_556
Ge3 Li1 2.699(7) 3
Ge3 Li1 2.699(7) 1_554
Ge3 Li1 2.699(7) 3_556
Ge3 Li1 2.699(7) .
Ge3 Li2 2.765(14) 3
Ge3 Li2 2.765(14) .
Ge3 La1 3.1902(11) 1_554
Ge4 Ge4 2.532(2) 9_656
Ge4 Li1 2.675(13) .
Ge4 Li1 2.675(13) 11
Ge4 La4 3.1682(10) 1_556
Ge4 La3 3.2627(8) 13_556
Ge4 La3 3.2627(8) 5_545
Ge4 La3 3.2627(8) 5_546
Ge4 La3 3.2627(8) 13
Li1 Li1 2.62(3) 3_556
Li1 Ge3 2.699(7) 1_556
Li1 Ge2 2.831(13) 13_556
Li1 La3 3.182(9) 13_556
Li1 La3 3.182(9) 13
Li1 Li2 3.397(14) 1_556
Li1 Li2 3.397(14) .
Li1 La4 3.625(10) 1_556
Li2 Li2 2.62(3) 3_655
Li2 Ge2 2.674(7) 13_556
Li2 Ge2 2.674(7) 13
Li2 La1 3.185(10) 1_554
Li2 La3 3.196(14) 13
Li2 Li1 3.397(14) 1_554
Li2 La2 3.700(11) 13_556
Li2 La2 3.700(11) 13
