#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:53:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179398 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/95/4329500.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_4329500
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         Nd7Li8Ge10
_chemical_formula_sum            'Ge10 Li8 Nd7'
_chemical_formula_weight         1791.10
_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                   6.8859(14)
_cell_length_b                   33.450(7)
_cell_length_c                   4.4289(9)
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.11
_cell_measurement_theta_min      2.44
_cell_volume                     1020.1(4)
_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  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            7323
_diffrn_reflns_theta_full        29.11
_diffrn_reflns_theta_max         29.11
_diffrn_reflns_theta_min         2.44
_exptl_absorpt_coefficient_mu    31.902
_exptl_absorpt_correction_T_max  0.4479
_exptl_absorpt_correction_T_min  0.2309
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    5.831
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.473
_refine_diff_density_min         -1.263
_refine_diff_density_rms         0.262
_refine_ls_extinction_coef       0.00013(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         844
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0206
_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)+(0.0189P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0412
_refine_ls_wR_factor_ref         0.0437
_reflns_number_gt                699
_reflns_number_total             844
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300566x_si_002_4.cif
_cod_data_source_block           IV
_cod_database_code               4329500
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
Nd1 Nd 0.0000 0.160784(13) 0.5000 0.00932(12) Uani 1 4 d S
Nd2 Nd 0.0000 0.279039(12) 0.5000 0.00807(11) Uani 1 4 d S
Nd3 Nd 0.0000 0.442504(12) 0.0000 0.00946(11) Uani 1 4 d S
Nd4 Nd 0.0000 0.0000 0.0000 0.00852(14) Uani 1 8 d S
Ge1 Ge 0.18219(9) 0.215542(17) 0.0000 0.00932(15) Uani 1 2 d S
Ge2 Ge 0.0000 0.37326(2) 0.5000 0.0106(2) Uani 1 4 d S
Ge3 Ge 0.0000 0.09397(3) 0.0000 0.01058(19) Uani 1 4 d S
Ge4 Ge 0.31589(12) 0.0000 0.5000 0.00914(18) Uani 1 4 d S
Li1 Li 0.1911(14) 0.0743(3) 0.5000 0.0084(19) Uiso 1 2 d S
Li2 Li 0.3129(16) 0.1436(3) 0.0000 0.018(2) 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'
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
Ge1 Nd1 Ge1 89.85(2) . 1_556
Ge1 Nd1 Ge1 108.52(3) . 3_556
Ge1 Nd1 Ge1 47.17(2) 1_556 3_556
Ge1 Nd1 Ge1 47.17(2) . 3
Ge1 Nd1 Ge1 108.51(3) 1_556 3
Ge1 Nd1 Ge1 89.85(2) 3_556 3
Ge1 Nd1 Li2 83.33(15) . 3
Ge1 Nd1 Li2 151.51(19) 1_556 3
Ge1 Nd1 Li2 109.29(17) 3_556 3
Ge1 Nd1 Li2 48.34(18) 3 3
Ge1 Nd1 Li2 109.29(17) . 1_556
Ge1 Nd1 Li2 48.34(18) 1_556 1_556
Ge1 Nd1 Li2 83.33(15) 3_556 1_556
Ge1 Nd1 Li2 151.51(19) 3 1_556
Li2 Nd1 Li2 158.9(4) 3 1_556
Ge1 Nd1 Li2 151.51(19) . 3_556
Ge1 Nd1 Li2 83.33(15) 1_556 3_556
Ge1 Nd1 Li2 48.34(18) 3_556 3_556
Ge1 Nd1 Li2 109.29(17) 3 3_556
Li2 Nd1 Li2 89.6(3) 3 3_556
Li2 Nd1 Li2 86.6(3) 1_556 3_556
Ge1 Nd1 Li2 48.34(18) . .
Ge1 Nd1 Li2 109.29(17) 1_556 .
Ge1 Nd1 Li2 151.51(19) 3_556 .
Ge1 Nd1 Li2 83.33(15) 3 .
Li2 Nd1 Li2 86.6(3) 3 .
Li2 Nd1 Li2 89.6(3) 1_556 .
Li2 Nd1 Li2 158.9(4) 3_556 .
Ge1 Nd1 Ge3 155.783(13) . 1_556
Ge1 Nd1 Ge3 85.29(2) 1_556 1_556
Ge1 Nd1 Ge3 85.29(2) 3_556 1_556
Ge1 Nd1 Ge3 155.784(13) 3 1_556
Li2 Nd1 Ge3 111.45(17) 3 1_556
Li2 Nd1 Ge3 51.24(18) 1_556 1_556
Li2 Nd1 Ge3 51.24(18) 3_556 1_556
Li2 Nd1 Ge3 111.45(17) . 1_556
Ge1 Nd1 Ge3 85.290(19) . .
Ge1 Nd1 Ge3 155.783(13) 1_556 .
Ge1 Nd1 Ge3 155.783(13) 3_556 .
Ge1 Nd1 Ge3 85.292(19) 3 .
Li2 Nd1 Ge3 51.24(18) 3 .
Li2 Nd1 Ge3 111.45(17) 1_556 .
Li2 Nd1 Ge3 111.45(17) 3_556 .
Li2 Nd1 Ge3 51.24(18) . .
Ge3 Nd1 Ge3 89.47(3) 1_556 .
Ge1 Nd1 Li1 111.47(12) . .
Ge1 Nd1 Li1 111.48(12) 1_556 .
Ge1 Nd1 Li1 134.22(3) 3_556 .
Ge1 Nd1 Li1 134.22(3) 3 .
Li2 Nd1 Li1 96.7(2) 3 .
Li2 Nd1 Li1 63.2(2) 1_556 .
Li2 Nd1 Li1 96.7(2) 3_556 .
Li2 Nd1 Li1 63.2(2) . .
Ge3 Nd1 Li1 49.71(7) 1_556 .
Ge3 Nd1 Li1 49.71(7) . .
Ge1 Nd1 Li1 134.21(3) . 3_556
Ge1 Nd1 Li1 134.22(3) 1_556 3_556
Ge1 Nd1 Li1 111.48(12) 3_556 3_556
Ge1 Nd1 Li1 111.48(12) 3 3_556
Li2 Nd1 Li1 63.2(2) 3 3_556
Li2 Nd1 Li1 96.7(2) 1_556 3_556
Li2 Nd1 Li1 63.2(2) 3_556 3_556
Li2 Nd1 Li1 96.7(2) . 3_556
Ge3 Nd1 Li1 49.71(7) 1_556 3_556
Ge3 Nd1 Li1 49.71(7) . 3_556
Li1 Nd1 Li1 48.9(3) . 3_556
Ge1 Nd2 Ge1 173.34(3) 13_556 15_455
Ge1 Nd2 Ge1 90.48(2) 13_556 13
Ge1 Nd2 Ge1 89.13(2) 15_455 13
Ge1 Nd2 Ge1 89.13(2) 13_556 15_456
Ge1 Nd2 Ge1 90.48(2) 15_455 15_456
Ge1 Nd2 Ge1 173.34(3) 13 15_456
Ge1 Nd2 Ge2 86.670(13) 13_556 .
Ge1 Nd2 Ge2 86.670(13) 15_455 .
Ge1 Nd2 Ge2 86.670(13) 13 .
Ge1 Nd2 Ge2 86.670(13) 15_456 .
Ge1 Nd2 Ge1 141.000(17) 13_556 3
Ge1 Nd2 Ge1 45.36(2) 15_455 3
Ge1 Nd2 Ge1 80.121(16) 13 3
Ge1 Nd2 Ge1 104.241(15) 15_456 3
Ge2 Nd2 Ge1 129.844(12) . 3
Ge1 Nd2 Ge1 80.121(16) 13_556 3_556
Ge1 Nd2 Ge1 104.241(15) 15_455 3_556
Ge1 Nd2 Ge1 141.000(17) 13 3_556
Ge1 Nd2 Ge1 45.36(2) 15_456 3_556
Ge2 Nd2 Ge1 129.844(12) . 3_556
Ge1 Nd2 Ge1 83.83(2) 3 3_556
Ge1 Nd2 Ge1 45.36(2) 13_556 1_556
Ge1 Nd2 Ge1 141.000(17) 15_455 1_556
Ge1 Nd2 Ge1 104.241(15) 13 1_556
Ge1 Nd2 Ge1 80.121(16) 15_456 1_556
Ge2 Nd2 Ge1 129.844(12) . 1_556
Ge1 Nd2 Ge1 100.31(2) 3 1_556
Ge1 Nd2 Ge1 44.48(2) 3_556 1_556
Ge1 Nd2 Ge1 104.241(15) 13_556 .
Ge1 Nd2 Ge1 80.122(16) 15_455 .
Ge1 Nd2 Ge1 45.36(2) 13 .
Ge1 Nd2 Ge1 140.999(17) 15_456 .
Ge2 Nd2 Ge1 129.846(12) . .
Ge1 Nd2 Ge1 44.48(2) 3 .
Ge1 Nd2 Ge1 100.31(2) 3_556 .
Ge1 Nd2 Ge1 83.83(2) 1_556 .
Ge1 Nd2 Li2 43.85(15) 13_556 13_556
Ge1 Nd2 Li2 129.69(15) 15_455 13_556
Ge1 Nd2 Li2 98.18(13) 13 13_556
Ge1 Nd2 Li2 77.01(14) 15_456 13_556
Ge2 Nd2 Li2 44.70(13) . 13_556
Ge1 Nd2 Li2 174.52(12) 3 13_556
Ge1 Nd2 Li2 100.55(10) 3_556 13_556
Ge1 Nd2 Li2 85.15(13) 1_556 13_556
Ge1 Nd2 Li2 136.70(16) . 13_556
Ge1 Nd2 Li2 77.01(14) 13_556 15_456
Ge1 Nd2 Li2 98.18(13) 15_455 15_456
Ge1 Nd2 Li2 129.69(15) 13 15_456
Ge1 Nd2 Li2 43.85(15) 15_456 15_456
Ge2 Nd2 Li2 44.70(13) . 15_456
Ge1 Nd2 Li2 136.69(16) 3 15_456
Ge1 Nd2 Li2 85.15(13) 3_556 15_456
Ge1 Nd2 Li2 100.55(10) 1_556 15_456
Ge1 Nd2 Li2 174.52(12) . 15_456
Li2 Nd2 Li2 41.4(3) 13_556 15_456
Ge1 Nd2 Li2 129.69(15) 13_556 15_455
Ge1 Nd2 Li2 43.85(15) 15_455 15_455
Ge1 Nd2 Li2 77.01(14) 13 15_455
Ge1 Nd2 Li2 98.18(13) 15_456 15_455
Ge2 Nd2 Li2 44.70(13) . 15_455
Ge1 Nd2 Li2 85.15(13) 3 15_455
Ge1 Nd2 Li2 136.69(16) 3_556 15_455
Ge1 Nd2 Li2 174.52(12) 1_556 15_455
Ge1 Nd2 Li2 100.55(10) . 15_455
Li2 Nd2 Li2 89.4(3) 13_556 15_455
Li2 Nd2 Li2 74.9(2) 15_456 15_455
Li1 Nd3 Li1 159.3(3) 15_454 13_556
Li1 Nd3 Li1 90.4(3) 15_454 15_455
Li1 Nd3 Li1 85.9(3) 13_556 15_455
Li1 Nd3 Li1 85.9(3) 15_454 13
Li1 Nd3 Li1 90.4(3) 13_556 13
Li1 Nd3 Li1 159.3(3) 15_455 13
Li1 Nd3 Li2 63.7(2) 15_454 15_455
Li1 Nd3 Li2 96.6(2) 13_556 15_455
Li1 Nd3 Li2 63.7(2) 15_455 15_455
Li1 Nd3 Li2 96.6(2) 13 15_455
Li1 Nd3 Li2 96.6(2) 15_454 13
Li1 Nd3 Li2 63.7(2) 13_556 13
Li1 Nd3 Li2 96.6(2) 15_455 13
Li1 Nd3 Li2 63.7(2) 13 13
Li2 Nd3 Li2 48.2(4) 15_455 13
Li1 Nd3 Ge4 150.49(17) 15_454 13_556
Li1 Nd3 Ge4 49.17(16) 13_556 13_556
Li1 Nd3 Ge4 83.51(14) 15_455 13_556
Li1 Nd3 Ge4 109.24(15) 13 13_556
Li2 Nd3 Ge4 135.35(3) 15_455 13_556
Li2 Nd3 Ge4 112.79(13) 13 13_556
Li1 Nd3 Ge4 109.24(15) 15_454 5_455
Li1 Nd3 Ge4 83.51(14) 13_556 5_455
Li1 Nd3 Ge4 49.17(16) 15_455 5_455
Li1 Nd3 Ge4 150.49(17) 13 5_455
Li2 Nd3 Ge4 112.79(13) 15_455 5_455
Li2 Nd3 Ge4 135.35(3) 13 5_455
Ge4 Nd3 Ge4 46.75(3) 13_556 5_455
Li1 Nd3 Ge4 49.17(16) 15_454 5_454
Li1 Nd3 Ge4 150.49(17) 13_556 5_454
Li1 Nd3 Ge4 109.24(15) 15_455 5_454
Li1 Nd3 Ge4 83.51(14) 13 5_454
Li2 Nd3 Ge4 112.79(13) 15_455 5_454
Li2 Nd3 Ge4 135.35(3) 13 5_454
Ge4 Nd3 Ge4 105.99(2) 13_556 5_454
Ge4 Nd3 Ge4 87.74(2) 5_455 5_454
Li1 Nd3 Ge4 83.51(14) 15_454 13
Li1 Nd3 Ge4 109.24(15) 13_556 13
Li1 Nd3 Ge4 150.49(17) 15_455 13
Li1 Nd3 Ge4 49.17(16) 13 13
Li2 Nd3 Ge4 135.35(3) 15_455 13
Li2 Nd3 Ge4 112.79(13) 13 13
Ge4 Nd3 Ge4 87.74(2) 13_556 13
Ge4 Nd3 Ge4 105.99(2) 5_455 13
Ge4 Nd3 Ge4 46.75(3) 5_454 13
Li1 Nd3 Ge2 111.12(15) 15_454 .
Li1 Nd3 Ge2 51.67(17) 13_556 .
Li1 Nd3 Ge2 51.67(17) 15_455 .
Li1 Nd3 Ge2 111.12(15) 13 .
Li2 Nd3 Ge2 48.72(8) 15_455 .
Li2 Nd3 Ge2 48.72(8) 13 .
Ge4 Nd3 Ge2 87.485(17) 13_556 .
Ge4 Nd3 Ge2 87.485(17) 5_455 .
Ge4 Nd3 Ge2 156.061(15) 5_454 .
Ge4 Nd3 Ge2 156.061(15) 13 .
Li1 Nd3 Ge2 51.67(17) 15_454 1_554
Li1 Nd3 Ge2 111.12(15) 13_556 1_554
Li1 Nd3 Ge2 111.12(15) 15_455 1_554
Li1 Nd3 Ge2 51.67(17) 13 1_554
Li2 Nd3 Ge2 48.72(8) 15_455 1_554
Li2 Nd3 Ge2 48.72(8) 13 1_554
Ge4 Nd3 Ge2 156.061(15) 13_556 1_554
Ge4 Nd3 Ge2 156.061(16) 5_455 1_554
Ge4 Nd3 Ge2 87.485(18) 5_454 1_554
Ge4 Nd3 Ge2 87.485(18) 13 1_554
Ge2 Nd3 Ge2 87.43(3) . 1_554
Ge4 Nd4 Ge4 180.0 . 9
Ge4 Nd4 Ge4 88.97(3) . 9_556
Ge4 Nd4 Ge4 91.03(3) 9 9_556
Ge4 Nd4 Ge4 91.03(3) . 1_554
Ge4 Nd4 Ge4 88.97(3) 9 1_554
Ge4 Nd4 Ge4 180.0 9_556 1_554
Ge4 Nd4 Ge3 90.0 . .
Ge4 Nd4 Ge3 90.0 9 .
Ge4 Nd4 Ge3 90.0 9_556 .
Ge4 Nd4 Ge3 90.0 1_554 .
Ge4 Nd4 Ge3 90.0 . 9
Ge4 Nd4 Ge3 90.0 9 9
Ge4 Nd4 Ge3 90.0 9_556 9
Ge4 Nd4 Ge3 90.0 1_554 9
Ge3 Nd4 Ge3 180.0 . 9
Ge4 Nd4 Li1 134.36(14) . 9
Ge4 Nd4 Li1 45.64(14) 9 9
Ge4 Nd4 Li1 100.59(12) 9_556 9
Ge4 Nd4 Li1 79.41(12) 1_554 9
Ge3 Nd4 Li1 133.96(12) . 9
Ge3 Nd4 Li1 46.04(12) 9 9
Ge4 Nd4 Li1 100.59(12) . 11_554
Ge4 Nd4 Li1 79.41(12) 9 11_554
Ge4 Nd4 Li1 134.36(14) 9_556 11_554
Ge4 Nd4 Li1 45.64(14) 1_554 11_554
Ge3 Nd4 Li1 133.96(12) . 11_554
Ge3 Nd4 Li1 46.04(12) 9 11_554
Li1 Nd4 Li1 43.2(3) 9 11_554
Ge4 Nd4 Li1 79.41(12) . 3_556
Ge4 Nd4 Li1 100.59(12) 9 3_556
Ge4 Nd4 Li1 45.64(14) 9_556 3_556
Ge4 Nd4 Li1 134.36(14) 1_554 3_556
Ge3 Nd4 Li1 46.04(12) . 3_556
Ge3 Nd4 Li1 133.96(12) 9 3_556
Li1 Nd4 Li1 136.8(3) 9 3_556
Li1 Nd4 Li1 180.0(4) 11_554 3_556
Ge4 Nd4 Li1 45.64(14) . 11
Ge4 Nd4 Li1 134.36(14) 9 11
Ge4 Nd4 Li1 79.41(12) 9_556 11
Ge4 Nd4 Li1 100.59(12) 1_554 11
Ge3 Nd4 Li1 133.96(12) . 11
Ge3 Nd4 Li1 46.04(12) 9 11
Li1 Nd4 Li1 92.1(2) 9 11
Li1 Nd4 Li1 76.45(19) 11_554 11
Li1 Nd4 Li1 103.55(19) 3_556 11
Ge4 Nd4 Li1 134.36(14) . 3
Ge4 Nd4 Li1 45.64(14) 9 3
Ge4 Nd4 Li1 100.59(12) 9_556 3
Ge4 Nd4 Li1 79.41(12) 1_554 3
Ge3 Nd4 Li1 46.04(12) . 3
Ge3 Nd4 Li1 133.96(12) 9 3
Li1 Nd4 Li1 87.9(2) 9 3
Li1 Nd4 Li1 103.55(19) 11_554 3
Li1 Nd4 Li1 76.45(19) 3_556 3
Li1 Nd4 Li1 180.0(2) 11 3
Ge4 Nd4 Li1 79.41(12) . 9_556
Ge4 Nd4 Li1 100.59(12) 9 9_556
Ge4 Nd4 Li1 45.64(14) 9_556 9_556
Ge4 Nd4 Li1 134.36(14) 1_554 9_556
Ge3 Nd4 Li1 133.96(12) . 9_556
Ge3 Nd4 Li1 46.04(12) 9 9_556
Li1 Nd4 Li1 76.45(19) 9 9_556
Li1 Nd4 Li1 92.1(2) 11_554 9_556
Li1 Nd4 Li1 87.9(2) 3_556 9_556
Li1 Nd4 Li1 43.2(3) 11 9_556
Li1 Nd4 Li1 136.8(3) 3 9_556
Ge1 Ge1 Ge1 112.05(3) 13 3
Ge1 Ge1 Li2 137.4(2) 13 .
Ge1 Ge1 Li2 110.5(2) 3 .
Ge1 Ge1 Nd2 71.50(2) 13 13_556
Ge1 Ge1 Nd2 134.565(12) 3 13_556
Li2 Ge1 Nd2 78.97(16) . 13_556
Ge1 Ge1 Nd2 71.50(2) 13 13
Ge1 Ge1 Nd2 134.565(12) 3 13
Li2 Ge1 Nd2 78.97(16) . 13
Nd2 Ge1 Nd2 90.48(2) 13_556 13
Ge1 Ge1 Nd1 133.758(14) 13 .
Ge1 Ge1 Nd1 66.418(12) 3 .
Li2 Ge1 Nd1 65.98(15) . .
Nd2 Ge1 Nd1 79.237(14) 13_556 .
Nd2 Ge1 Nd1 144.70(2) 13 .
Ge1 Ge1 Nd1 133.758(14) 13 1_554
Ge1 Ge1 Nd1 66.419(12) 3 1_554
Li2 Ge1 Nd1 65.98(15) . 1_554
Nd2 Ge1 Nd1 144.70(2) 13_556 1_554
Nd2 Ge1 Nd1 79.237(14) 13 1_554
Nd1 Ge1 Nd1 89.85(2) . 1_554
Ge1 Ge1 Nd2 63.15(2) 13 1_554
Ge1 Ge1 Nd2 67.760(11) 3 1_554
Li2 Ge1 Nd2 137.11(5) . 1_554
Nd2 Ge1 Nd2 134.64(2) 13_556 1_554
Nd2 Ge1 Nd2 75.757(15) 13 1_554
Nd1 Ge1 Nd2 134.00(2) . 1_554
Nd1 Ge1 Nd2 75.587(18) 1_554 1_554
Ge1 Ge1 Nd2 63.14(2) 13 .
Ge1 Ge1 Nd2 67.760(11) 3 .
Li2 Ge1 Nd2 137.11(5) . .
Nd2 Ge1 Nd2 75.757(15) 13_556 .
Nd2 Ge1 Nd2 134.64(2) 13 .
Nd1 Ge1 Nd2 75.587(18) . .
Nd1 Ge1 Nd2 134.00(2) 1_554 .
Nd2 Ge1 Nd2 83.83(2) 1_554 .
Li2 Ge2 Li2 155.2(4) 15_455 13_556
Li2 Ge2 Li2 58.8(4) 15_455 13
Li2 Ge2 Li2 115.2(4) 13_556 13
Li2 Ge2 Li2 115.2(4) 15_455 15_456
Li2 Ge2 Li2 58.8(4) 13_556 15_456
Li2 Ge2 Li2 155.2(4) 13 15_456
Li2 Ge2 Li1 121.0(2) 15_455 13_556
Li2 Ge2 Li1 76.0(2) 13_556 13_556
Li2 Ge2 Li1 76.0(2) 13 13_556
Li2 Ge2 Li1 121.0(2) 15_456 13_556
Li2 Ge2 Li1 76.0(2) 15_455 15_455
Li2 Ge2 Li1 121.0(2) 13_556 15_455
Li2 Ge2 Li1 121.0(2) 13 15_455
Li2 Ge2 Li1 76.0(2) 15_456 15_455
Li1 Ge2 Li1 100.9(4) 13_556 15_455
Li2 Ge2 Nd2 77.6(2) 15_455 .
Li2 Ge2 Nd2 77.6(2) 13_556 .
Li2 Ge2 Nd2 77.6(2) 13 .
Li2 Ge2 Nd2 77.6(2) 15_456 .
Li1 Ge2 Nd2 129.5(2) 13_556 .
Li1 Ge2 Nd2 129.5(2) 15_455 .
Li2 Ge2 Nd3 64.6(2) 15_455 .
Li2 Ge2 Nd3 137.6(2) 13_556 .
Li2 Ge2 Nd3 64.6(2) 13 .
Li2 Ge2 Nd3 137.6(2) 15_456 .
Li1 Ge2 Nd3 62.61(12) 13_556 .
Li1 Ge2 Nd3 62.61(12) 15_455 .
Nd2 Ge2 Nd3 136.286(14) . .
Li2 Ge2 Nd3 137.6(2) 15_455 1_556
Li2 Ge2 Nd3 64.6(2) 13_556 1_556
Li2 Ge2 Nd3 137.6(2) 13 1_556
Li2 Ge2 Nd3 64.6(2) 15_456 1_556
Li1 Ge2 Nd3 62.61(12) 13_556 1_556
Li1 Ge2 Nd3 62.61(12) 15_455 1_556
Nd2 Ge2 Nd3 136.286(14) . 1_556
Nd3 Ge2 Nd3 87.43(3) . 1_556
Li1 Ge3 Li1 151.3(4) . 3
Li1 Ge3 Li1 112.8(3) . 1_554
Li1 Ge3 Li1 59.3(4) 3 1_554
Li1 Ge3 Li1 59.3(4) . 3_556
Li1 Ge3 Li1 112.8(3) 3 3_556
Li1 Ge3 Li1 151.3(4) 1_554 3_556
Li1 Ge3 Li2 76.1(2) . .
Li1 Ge3 Li2 122.91(17) 3 .
Li1 Ge3 Li2 76.1(2) 1_554 .
Li1 Ge3 Li2 122.91(17) 3_556 .
Li1 Ge3 Li2 122.91(17) . 3
Li1 Ge3 Li2 76.1(2) 3 3
Li1 Ge3 Li2 122.91(17) 1_554 3
Li1 Ge3 Li2 76.1(2) 3_556 3
Li2 Ge3 Li2 104.8(4) . 3
Li1 Ge3 Nd4 75.7(2) . .
Li1 Ge3 Nd4 75.7(2) 3 .
Li1 Ge3 Nd4 75.7(2) 1_554 .
Li1 Ge3 Nd4 75.7(2) 3_556 .
Li2 Ge3 Nd4 127.6(2) . .
Li2 Ge3 Nd4 127.6(2) 3 .
Li1 Ge3 Nd1 139.7(2) . 1_554
Li1 Ge3 Nd1 65.78(18) 3 1_554
Li1 Ge3 Nd1 65.78(18) 1_554 1_554
Li1 Ge3 Nd1 139.7(2) 3_556 1_554
Li2 Ge3 Nd1 64.32(14) . 1_554
Li2 Ge3 Nd1 64.32(14) 3 1_554
Nd4 Ge3 Nd1 135.264(14) . 1_554
Li1 Ge3 Nd1 65.78(18) . .
Li1 Ge3 Nd1 139.7(2) 3 .
Li1 Ge3 Nd1 139.7(2) 1_554 .
Li1 Ge3 Nd1 65.78(18) 3_556 .
Li2 Ge3 Nd1 64.32(14) . .
Li2 Ge3 Nd1 64.32(14) 3 .
Nd4 Ge3 Nd1 135.265(14) . .
Nd1 Ge3 Nd1 89.47(3) 1_554 .
Ge4 Ge4 Li1 109.1(2) 9_656 11
Ge4 Ge4 Li1 109.1(2) 9_656 .
Li1 Ge4 Li1 141.9(4) 11 .
Ge4 Ge4 Nd4 134.487(14) 9_656 .
Li1 Ge4 Nd4 76.76(14) 11 .
Li1 Ge4 Nd4 76.76(14) . .
Ge4 Ge4 Nd4 134.487(14) 9_656 1_556
Li1 Ge4 Nd4 76.76(14) 11 1_556
Li1 Ge4 Nd4 76.76(14) . 1_556
Nd4 Ge4 Nd4 91.03(3) . 1_556
Ge4 Ge4 Nd3 66.624(15) 9_656 13_556
Li1 Ge4 Nd3 134.31(5) 11 13_556
Li1 Ge4 Nd3 63.95(13) . 13_556
Nd4 Ge4 Nd3 140.575(15) . 13_556
Nd4 Ge4 Nd3 77.503(13) 1_556 13_556
Ge4 Ge4 Nd3 66.624(15) 9_656 5_545
Li1 Ge4 Nd3 63.95(13) 11 5_545
Li1 Ge4 Nd3 134.31(5) . 5_545
Nd4 Ge4 Nd3 77.503(13) . 5_545
Nd4 Ge4 Nd3 140.575(16) 1_556 5_545
Nd3 Ge4 Nd3 133.25(3) 13_556 5_545
Ge4 Ge4 Nd3 66.624(15) 9_656 5_546
Li1 Ge4 Nd3 63.95(13) 11 5_546
Li1 Ge4 Nd3 134.31(5) . 5_546
Nd4 Ge4 Nd3 140.575(16) . 5_546
Nd4 Ge4 Nd3 77.503(13) 1_556 5_546
Nd3 Ge4 Nd3 74.01(2) 13_556 5_546
Nd3 Ge4 Nd3 87.74(2) 5_545 5_546
Ge4 Ge4 Nd3 66.624(15) 9_656 13
Li1 Ge4 Nd3 134.31(5) 11 13
Li1 Ge4 Nd3 63.95(13) . 13
Nd4 Ge4 Nd3 77.503(13) . 13
Nd4 Ge4 Nd3 140.575(16) 1_556 13
Nd3 Ge4 Nd3 87.74(2) 13_556 13
Nd3 Ge4 Nd3 74.01(2) 5_545 13
Nd3 Ge4 Nd3 133.25(3) 5_546 13
Ge4 Li1 Li1 109.1(2) . 3_556
Ge4 Li1 Ge3 113.3(2) . .
Li1 Li1 Ge3 60.33(18) 3_556 .
Ge4 Li1 Ge3 113.3(2) . 1_556
Li1 Li1 Ge3 60.33(18) 3_556 1_556
Ge3 Li1 Ge3 112.8(3) . 1_556
Ge4 Li1 Ge2 110.5(3) . 13_556
Li1 Li1 Ge2 140.48(19) 3_556 13_556
Ge3 Li1 Ge2 103.0(2) . 13_556
Ge3 Li1 Ge2 102.9(2) 1_556 13_556
Ge4 Li1 Nd3 66.88(18) . 13_556
Li1 Li1 Nd3 132.95(13) 3_556 13_556
Ge3 Li1 Nd3 166.6(3) . 13_556
Ge3 Li1 Nd3 77.93(5) 1_556 13_556
Ge2 Li1 Nd3 65.72(18) 13_556 13_556
Ge4 Li1 Nd3 66.88(18) . 13
Li1 Li1 Nd3 132.95(13) 3_556 13
Ge3 Li1 Nd3 77.93(5) . 13
Ge3 Li1 Nd3 166.6(3) 1_556 13
Ge2 Li1 Nd3 65.72(18) 13_556 13
Nd3 Li1 Nd3 90.4(2) 13_556 13
Ge4 Li1 Nd1 174.6(4) . .
Li1 Li1 Nd1 65.55(17) 3_556 .
Ge3 Li1 Nd1 64.51(19) . .
Ge3 Li1 Nd1 64.50(19) 1_556 .
Ge2 Li1 Nd1 74.9(2) 13_556 .
Nd3 Li1 Nd1 116.5(2) 13_556 .
Nd3 Li1 Nd1 116.5(2) 13 .
Ge4 Li1 Li2 125.3(3) . .
Li1 Li1 Li2 104.7(2) 3_556 .
Ge3 Li1 Li2 52.80(19) . .
Ge3 Li1 Li2 120.6(4) 1_556 .
Ge2 Li1 Li2 50.2(2) 13_556 .
Nd3 Li1 Li2 115.3(3) 13_556 .
Nd3 Li1 Li2 58.61(19) 13 .
Nd1 Li1 Li2 57.9(2) . .
Ge4 Li1 Li2 125.3(3) . 1_556
Li1 Li1 Li2 104.7(2) 3_556 1_556
Ge3 Li1 Li2 120.6(4) . 1_556
Ge3 Li1 Li2 52.80(19) 1_556 1_556
Ge2 Li1 Li2 50.2(2) 13_556 1_556
Nd3 Li1 Li2 58.61(19) 13_556 1_556
Nd3 Li1 Li2 115.3(3) 13 1_556
Nd1 Li1 Li2 57.9(2) . 1_556
Li2 Li1 Li2 83.9(3) . 1_556
Ge4 Li1 Nd4 57.59(15) . .
Li1 Li1 Nd4 68.42(15) 3_556 .
Ge3 Li1 Nd4 58.31(12) . .
Ge3 Li1 Nd4 120.4(3) 1_556 .
Ge2 Li1 Nd4 136.51(17) 13_556 .
Nd3 Li1 Nd4 124.4(3) 13_556 .
Nd3 Li1 Nd4 71.75(11) 13 .
Nd1 Li1 Nd4 118.7(2) . .
Li2 Li1 Nd4 99.50(13) . .
Li2 Li1 Nd4 172.8(3) 1_556 .
Ge4 Li1 Nd4 57.59(15) . 1_556
Li1 Li1 Nd4 68.42(15) 3_556 1_556
Ge3 Li1 Nd4 120.4(3) . 1_556
Ge3 Li1 Nd4 58.31(12) 1_556 1_556
Ge2 Li1 Nd4 136.51(17) 13_556 1_556
Nd3 Li1 Nd4 71.75(11) 13_556 1_556
Nd3 Li1 Nd4 124.4(3) 13 1_556
Nd1 Li1 Nd4 118.7(2) . 1_556
Li2 Li1 Nd4 172.8(3) . 1_556
Li2 Li1 Nd4 99.50(13) 1_556 1_556
Nd4 Li1 Nd4 76.45(19) . 1_556
Ge1 Li2 Li2 110.5(2) . 3_655
Ge1 Li2 Ge2 111.9(2) . 13_556
Li2 Li2 Ge2 60.6(2) 3_655 13_556
Ge1 Li2 Ge2 111.9(2) . 13
Li2 Li2 Ge2 60.6(2) 3_655 13
Ge2 Li2 Ge2 115.2(4) 13_556 13
Ge1 Li2 Ge3 107.1(4) . .
Li2 Li2 Ge3 142.4(2) 3_655 .
Ge2 Li2 Ge3 105.0(3) 13_556 .
Ge2 Li2 Ge3 105.0(3) 13 .
Ge1 Li2 Nd1 65.7(2) . 1_554
Li2 Li2 Nd1 133.28(15) 3_655 1_554
Ge2 Li2 Nd1 166.1(3) 13_556 1_554
Ge2 Li2 Nd1 77.36(6) 13 1_554
Ge3 Li2 Nd1 64.4(2) . 1_554
Ge1 Li2 Nd1 65.7(2) . .
Li2 Li2 Nd1 133.28(15) 3_655 .
Ge2 Li2 Nd1 77.36(6) 13_556 .
Ge2 Li2 Nd1 166.1(3) 13 .
Ge3 Li2 Nd1 64.4(2) . .
Nd1 Li2 Nd1 89.6(3) 1_554 .
Ge1 Li2 Nd3 176.4(4) . 13
Li2 Li2 Nd3 65.89(19) 3_655 13
Ge2 Li2 Nd3 66.6(2) 13_556 13
Ge2 Li2 Nd3 66.6(2) 13 13
Ge3 Li2 Nd3 76.5(3) . 13
Nd1 Li2 Nd3 116.6(2) 1_554 13
Nd1 Li2 Nd3 116.6(2) . 13
Ge1 Li2 Li1 124.5(3) . .
Li2 Li2 Li1 104.7(2) 3_655 .
Ge2 Li2 Li1 53.84(18) 13_556 .
Ge2 Li2 Li1 122.6(4) 13 .
Ge3 Li2 Li1 51.2(2) . .
Nd1 Li2 Li1 115.2(4) 1_554 .
Nd1 Li2 Li1 58.92(19) . .
Nd3 Li2 Li1 57.7(2) 13 .
Ge1 Li2 Li1 124.5(3) . 1_554
Li2 Li2 Li1 104.7(2) 3_655 1_554
Ge2 Li2 Li1 122.6(4) 13_556 1_554
Ge2 Li2 Li1 53.85(18) 13 1_554
Ge3 Li2 Li1 51.2(2) . 1_554
Nd1 Li2 Li1 58.92(19) 1_554 1_554
Nd1 Li2 Li1 115.2(4) . 1_554
Nd3 Li2 Li1 57.7(2) 13 1_554
Li1 Li2 Li1 83.9(3) . 1_554
Ge1 Li2 Nd2 57.18(17) . 13_556
Li2 Li2 Nd2 69.28(16) 3_655 13_556
Ge2 Li2 Nd2 57.69(14) 13_556 13_556
Ge2 Li2 Nd2 119.5(3) 13 13_556
Ge3 Li2 Nd2 135.6(2) . 13_556
Nd1 Li2 Nd2 122.7(3) 1_554 13_556
Nd1 Li2 Nd2 71.57(13) . 13_556
Nd3 Li2 Nd2 120.3(2) 13 13_556
Li1 Li2 Nd2 100.39(12) . 13_556
Li1 Li2 Nd2 173.2(3) 1_554 13_556
Ge1 Li2 Nd2 57.18(17) . 13
Li2 Li2 Nd2 69.28(16) 3_655 13
Ge2 Li2 Nd2 119.5(3) 13_556 13
Ge2 Li2 Nd2 57.69(14) 13 13
Ge3 Li2 Nd2 135.6(2) . 13
Nd1 Li2 Nd2 71.57(13) 1_554 13
Nd1 Li2 Nd2 122.7(3) . 13
Nd3 Li2 Nd2 120.3(2) 13 13
Li1 Li2 Nd2 173.2(3) . 13
Li1 Li2 Nd2 100.39(12) 1_554 13
Nd2 Li2 Nd2 74.9(2) 13_556 13
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 Ge1 3.1357(6) .
Nd1 Ge1 3.1358(6) 1_556
Nd1 Ge1 3.1358(6) 3_556
Nd1 Ge1 3.1358(6) 3
Nd1 Li2 3.143(8) 3
Nd1 Li2 3.143(8) 1_556
Nd1 Li2 3.143(8) 3_556
Nd1 Li2 3.143(8) .
Nd1 Ge3 3.1462(8) 1_556
Nd1 Ge3 3.1463(8) .
Nd1 Li1 3.179(9) .
Nd1 Li1 3.179(9) 3_556
Nd2 Ge1 3.1186(6) 13_556
Nd2 Ge1 3.1186(6) 15_455
Nd2 Ge1 3.1186(6) 13
Nd2 Ge1 3.1186(6) 15_456
Nd2 Ge2 3.1517(11) .
Nd2 Ge1 3.3149(7) 3
Nd2 Ge1 3.3149(7) 3_556
Nd2 Ge1 3.3149(7) 1_556
Nd2 Ge1 3.3149(7) .
Nd2 Li2 3.642(8) 13_556
Nd2 Li2 3.642(8) 15_456
Nd2 Li2 3.642(8) 15_455
Nd3 Li1 3.121(7) 15_454
Nd3 Li1 3.121(7) 13_556
Nd3 Li1 3.121(7) 15_455
Nd3 Li1 3.121(7) 13
Nd3 Li2 3.154(10) 15_455
Nd3 Li2 3.154(11) 13
Nd3 Ge4 3.1953(6) 13_556
Nd3 Ge4 3.1953(6) 5_455
Nd3 Ge4 3.1953(6) 5_454
Nd3 Ge4 3.1953(6) 13
Nd3 Ge2 3.2044(8) .
Nd3 Ge2 3.2044(8) 1_554
Nd4 Ge4 3.1040(7) .
Nd4 Ge4 3.1041(7) 9
Nd4 Ge4 3.1041(7) 9_556
Nd4 Ge4 3.1041(7) 1_554
Nd4 Ge3 3.1432(11) .
Nd4 Ge3 3.1433(11) 9
Nd4 Li1 3.579(7) 9
Nd4 Li1 3.579(7) 11_554
Nd4 Li1 3.579(7) 3_556
Nd4 Li1 3.579(7) 11
Nd4 Li1 3.579(7) 3
Nd4 Li1 3.579(7) 9_556
Ge1 Ge1 2.4871(12) 13
Ge1 Ge1 2.5091(13) 3
Ge1 Li2 2.571(10) .
Ge1 Nd2 3.1186(6) 13_556
Ge1 Nd2 3.1186(6) 13
Ge1 Nd1 3.1357(6) 1_554
Ge1 Nd2 3.3149(7) 1_554
Ge2 Li2 2.623(6) 15_455
Ge2 Li2 2.623(6) 13_556
Ge2 Li2 2.623(6) 13
Ge2 Li2 2.623(6) 15_456
Ge2 Li1 2.757(10) 13_556
Ge2 Li1 2.757(10) 15_455
Ge2 Nd3 3.2045(8) 1_556
Ge3 Li1 2.659(5) .
Ge3 Li1 2.659(5) 3
Ge3 Li1 2.659(5) 1_554
Ge3 Li1 2.659(5) 3_556
Ge3 Li2 2.719(11) .
Ge3 Li2 2.719(11) 3
Ge3 Nd1 3.1462(8) 1_554
Ge4 Ge4 2.5356(18) 9_656
Ge4 Li1 2.629(9) 11
Ge4 Li1 2.629(9) .
Ge4 Nd4 3.1040(7) 1_556
Ge4 Nd3 3.1953(6) 13_556
Ge4 Nd3 3.1953(6) 5_545
Ge4 Nd3 3.1953(6) 5_546
Ge4 Nd3 3.1953(6) 13
Li1 Li1 2.632(19) 3_556
Li1 Ge3 2.659(5) 1_556
Li1 Ge2 2.757(10) 13_556
Li1 Nd3 3.121(7) 13_556
Li1 Nd3 3.121(7) 13
Li1 Li2 3.313(11) .
Li1 Li2 3.313(11) 1_556
Li1 Nd4 3.579(7) 1_556
Li2 Li2 2.58(2) 3_655
Li2 Ge2 2.623(6) 13_556
Li2 Ge2 2.623(6) 13
Li2 Nd1 3.143(8) 1_554
Li2 Nd3 3.154(10) 13
Li2 Li1 3.313(11) 1_554
Li2 Nd2 3.642(8) 13_556
Li2 Nd2 3.642(8) 13
