#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/87/2018753.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_2018753
loop_
_publ_author_name
'Suen, Nian-Tzu'
'You, Tae-Soo'
'Bobev, Svilen'
_publ_section_title
;
 Synthesis, crystal structures and chemical bonding of
 RE~5{-~x}LiₓGe₄ (RE = Nd, Sm and Gd; x ≃
 1) with the orthorhombic Gd₅Si₄ type
;
_journal_coeditor_code           FN3120
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1
_journal_page_last               4
_journal_paper_doi               10.1107/S0108270112050032
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'Nd3.97 Li1.03 Ge4'
_chemical_formula_sum            'Ge4 Li1.03 Nd3.97'
_chemical_formula_weight         870.14
_chemical_name_systematic
;
Tetraneodymium lithium 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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.3649(12)
_cell_length_b                   15.092(2)
_cell_length_c                   7.9406(13)
_cell_measurement_reflns_used    387
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      18.02
_cell_measurement_theta_min      5.14
_cell_volume                     882.6(2)
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008b)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008b)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008b)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.1239
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            10856
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    36.229
_exptl_absorpt_correction_T_max  0.5311
_exptl_absorpt_correction_T_min  0.4095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008a)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1477
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.688
_refine_diff_density_min         -2.157
_refine_ls_extinction_coef       0.00024(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008b)'
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_matrix_type           full
_refine_ls_number_parameters     45
_refine_ls_number_reflns         1094
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0361
_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)+(0.0075P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0533
_refine_ls_wR_factor_ref         0.0597
_reflns_number_gt                823
_reflns_number_total             1094
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fn3120.cif
_cod_data_source_block           II
_cod_original_sg_symbol_Hall     '-p 2ac 2n'
_cod_database_code               2018753
_cod_database_fobs_code          2018753
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_symmetry_multiplicity
Nd Nd1 0.02129(8) 0.59950(4) 0.18745(8) 0.01011(19) Uani d . 1 1
Nd Nd2 0.32566(9) 0.12811(4) 0.17943(8) 0.0092(2) Uani d P 0.985(3) 1
Li Li2 0.32566(9) 0.12811(4) 0.17943(8) 0.0092(2) Uani d P 0.015(3) 1
Ge Ge1 0.15859(17) 0.03601(8) 0.46828(15) 0.0106(3) Uani d . 1 1
Ge Ge2 0.0155(2) 0.2500 0.0794(2) 0.0109(4) Uani d S 1 2
Ge Ge3 0.2731(2) 0.2500 0.8672(2) 0.0104(4) Uani d S 1 2
Li Li1 0.163(4) 0.2500 0.528(3) 0.008(6) Uiso d S 1 2
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
Ge3 Nd1 Ge1 2_564 8_665 96.59(4)
Ge3 Nd1 Ge2 2_564 5_565 79.65(4)
Ge1 Nd1 Ge2 8_665 5_565 84.80(4)
Ge3 Nd1 Ge3 2_564 5_566 82.61(3)
Ge1 Nd1 Ge3 8_665 5_566 131.95(4)
Ge2 Nd1 Ge3 5_565 5_566 47.59(4)
Ge3 Nd1 Ge1 2_564 3_556 91.64(4)
Ge1 Nd1 Ge1 8_665 3_556 135.15(5)
Ge2 Nd1 Ge1 5_565 3_556 140.01(4)
Ge3 Nd1 Ge1 5_566 3_556 92.78(4)
Ge3 Nd1 Ge1 2_564 7_565 89.60(4)
Ge1 Nd1 Ge1 8_665 7_565 87.30(2)
Ge2 Nd1 Ge1 5_565 7_565 165.82(4)
Ge3 Nd1 Ge1 5_566 7_565 140.52(4)
Ge1 Nd1 Ge1 3_556 7_565 48.63(4)
Ge3 Nd1 Li1 2_564 5_566 53.8(4)
Ge1 Nd1 Li1 8_665 5_566 150.2(4)
Ge2 Nd1 Li1 5_565 5_566 86.1(3)
Ge3 Nd1 Li1 5_566 5_566 49.8(4)
Ge1 Nd1 Li1 3_556 5_566 58.4(3)
Ge1 Nd1 Li1 7_565 5_566 95.0(3)
Ge3 Nd1 Li1 2_564 2_564 50.3(4)
Ge1 Nd1 Li1 8_665 2_564 59.2(3)
Ge2 Nd1 Li1 5_565 2_564 48.4(4)
Ge3 Nd1 Li1 5_566 2_564 86.5(3)
Ge1 Nd1 Li1 3_556 2_564 141.7(4)
Ge1 Nd1 Li1 7_565 2_564 117.4(4)
Li1 Nd1 Li1 5_566 2_564 94.1(4)
Ge3 Nd1 Nd1 2_564 6_556 110.73(4)
Ge1 Nd1 Nd1 8_665 6_556 152.30(3)
Ge2 Nd1 Nd1 5_565 6_556 95.34(4)
Ge3 Nd1 Nd1 5_566 6_556 51.34(3)
Ge1 Nd1 Nd1 3_556 6_556 51.31(3)
Ge1 Nd1 Nd1 7_565 6_556 97.12(3)
Li1 Nd1 Nd1 5_566 6_556 56.9(4)
Li1 Nd1 Nd1 2_564 6_556 137.6(3)
Ge3 Nd1 Nd1 2_564 6_656 53.46(3)
Ge1 Nd1 Nd1 8_665 6_656 53.75(3)
Ge2 Nd1 Nd1 5_565 6_656 105.12(4)
Ge3 Nd1 Nd1 5_566 6_656 134.11(3)
Ge1 Nd1 Nd1 3_556 6_656 100.25(4)
Ge1 Nd1 Nd1 7_565 6_656 60.79(3)
Li1 Nd1 Nd1 5_566 6_656 102.0(4)
Li1 Nd1 Nd1 2_564 6_656 56.7(4)
Nd1 Nd1 Nd1 6_556 6_656 149.80(4)
Ge3 Nd1 Nd2 2_564 4_455 135.28(4)
Ge1 Nd1 Nd2 8_665 4_455 99.38(3)
Ge2 Nd1 Nd2 5_565 4_455 143.08(4)
Ge3 Nd1 Nd2 5_566 4_455 114.74(3)
Ge1 Nd1 Nd2 3_556 4_455 49.01(2)
Ge1 Nd1 Nd2 7_565 4_455 50.09(3)
Li1 Nd1 Nd2 5_566 4_455 104.8(3)
Li1 Nd1 Nd2 2_564 4_455 157.6(3)
Nd1 Nd1 Nd2 6_556 4_455 64.511(14)
Nd1 Nd1 Nd2 6_656 4_455 106.748(17)
Ge3 Nd1 Nd2 2_564 3 125.92(3)
Ge1 Nd1 Nd2 8_665 3 96.54(3)
Ge2 Nd1 Nd2 5_565 3 49.81(3)
Ge3 Nd1 Nd2 5_566 3 50.96(3)
Ge1 Nd1 Nd2 3_556 3 113.70(3)
Ge1 Nd1 Nd2 7_565 3 143.22(3)
Li1 Nd1 Nd2 5_566 3 99.1(4)
Li1 Nd1 Nd2 2_564 3 95.3(4)
Nd1 Nd1 Nd2 6_556 3 64.02(2)
Nd1 Nd1 Nd2 6_656 3 145.83(3)
Nd2 Nd1 Nd2 4_455 3 93.346(18)
Ge1 Nd2 Ge1 . 2_554 93.54(3)
Ge1 Nd2 Ge2 . 6_656 89.25(4)
Ge1 Nd2 Ge2 2_554 6_656 147.84(4)
Ge1 Nd2 Ge2 . . 100.08(4)
Ge1 Nd2 Ge2 2_554 . 112.56(4)
Ge2 Nd2 Ge2 6_656 . 98.39(3)
Ge1 Nd2 Ge1 . 6_656 114.78(5)
Ge1 Nd2 Ge1 2_554 6_656 51.46(4)
Ge2 Nd2 Ge1 6_656 6_656 98.63(4)
Ge2 Nd2 Ge1 . 6_656 141.16(5)
Ge1 Nd2 Ge3 . 1_554 147.78(5)
Ge1 Nd2 Ge3 2_554 1_554 92.74(4)
Ge2 Nd2 Ge3 6_656 1_554 101.77(4)
Ge2 Nd2 Ge3 . 1_554 48.71(5)
Ge1 Nd2 Ge3 6_656 1_554 93.61(4)
Ge1 Nd2 Li1 . 6_656 155.3(4)
Ge1 Nd2 Li1 2_554 6_656 98.3(3)
Ge2 Nd2 Li1 6_656 6_656 69.3(4)
Ge2 Nd2 Li1 . 6_656 95.3(3)
Ge1 Nd2 Li1 6_656 6_656 59.3(2)
Ge3 Nd2 Li1 1_554 6_656 53.4(4)
Ge1 Nd2 Li1 . . 59.7(2)
Ge1 Nd2 Li1 2_554 . 152.0(3)
Ge2 Nd2 Li1 6_656 . 48.6(4)
Ge2 Nd2 Li1 . . 68.5(4)
Ge1 Nd2 Li1 6_656 . 144.2(4)
Ge3 Nd2 Li1 1_554 . 105.9(3)
Li1 Nd2 Li1 6_656 . 109.5(4)
Ge1 Nd2 Li2 . 7_565 118.10(3)
Ge1 Nd2 Li2 2_554 7_565 145.84(3)
Ge2 Nd2 Li2 6_656 7_565 52.20(2)
Ge2 Nd2 Li2 . 7_565 52.74(2)
Ge1 Nd2 Li2 6_656 7_565 117.08(3)
Ge3 Nd2 Li2 1_554 7_565 53.75(2)
Li1 Nd2 Li2 6_656 7_565 58.3(2)
Li1 Nd2 Li2 . 7_565 58.6(2)
Ge1 Nd2 Nd2 . 7_565 118.10(3)
Ge1 Nd2 Nd2 2_554 7_565 145.84(3)
Ge2 Nd2 Nd2 6_656 7_565 52.20(2)
Ge2 Nd2 Nd2 . 7_565 52.74(2)
Ge1 Nd2 Nd2 6_656 7_565 117.08(3)
Ge3 Nd2 Nd2 1_554 7_565 53.75(2)
Li1 Nd2 Nd2 6_656 7_565 58.3(2)
Li1 Nd2 Nd2 . 7_565 58.6(2)
Li2 Nd2 Nd2 7_565 7_565 0.00(3)
Ge1 Nd2 Nd2 . 6_556 51.30(3)
Ge1 Nd2 Nd2 2_554 6_556 101.55(3)
Ge2 Nd2 Nd2 6_656 6_556 105.06(4)
Ge2 Nd2 Nd2 . 6_556 49.98(3)
Ge1 Nd2 Nd2 6_656 6_556 151.67(3)
Ge3 Nd2 Nd2 1_554 6_556 96.49(4)
Li1 Nd2 Nd2 6_656 6_556 144.6(3)
Li1 Nd2 Nd2 . 6_556 56.5(4)
Li2 Nd2 Nd2 7_565 6_556 90.0
Nd2 Nd2 Nd2 7_565 6_556 90.0
Ge1 Nd2 Nd2 . 6_656 99.94(3)
Ge1 Nd2 Nd2 2_554 6_656 97.24(3)
Ge2 Nd2 Nd2 6_656 6_656 50.84(3)
Ge2 Nd2 Nd2 . 6_656 142.68(2)
Ge1 Nd2 Nd2 6_656 6_656 48.97(3)
Ge3 Nd2 Nd2 1_554 6_656 110.55(4)
Li1 Nd2 Nd2 6_656 6_656 57.2(4)
Li1 Nd2 Nd2 . 6_656 95.5(4)
Li2 Nd2 Nd2 7_565 6_656 90.0
Nd2 Nd2 Nd2 7_565 6_656 90.0
Nd2 Nd2 Nd2 6_556 6_656 146.14(4)
Ge1 Ge1 Nd2 5_556 . 135.66(7)
Ge1 Ge1 Li2 5_556 2 65.44(5)
Nd2 Ge1 Li2 . 2 144.00(5)
Ge1 Ge1 Nd2 5_556 2 65.44(5)
Nd2 Ge1 Nd2 . 2 144.00(5)
Li2 Ge1 Nd2 2 2 0.00(3)
Ge1 Ge1 Li2 5_556 6_556 63.10(5)
Nd2 Ge1 Li2 . 6_556 79.74(3)
Li2 Ge1 Li2 2 6_556 128.54(4)
Nd2 Ge1 Li2 2 6_556 128.54(4)
Ge1 Ge1 Nd2 5_556 6_556 63.10(5)
Nd2 Ge1 Nd2 . 6_556 79.74(3)
Li2 Ge1 Nd2 2 6_556 128.54(4)
Nd2 Ge1 Nd2 2 6_556 128.54(4)
Li2 Ge1 Nd2 6_556 6_556 0.00(3)
Ge1 Ge1 Nd1 5_556 8_656 134.49(7)
Nd2 Ge1 Nd1 . 8_656 88.48(4)
Li2 Ge1 Nd1 2 8_656 84.91(4)
Nd2 Ge1 Nd1 2 8_656 84.91(4)
Li2 Ge1 Nd1 6_556 8_656 133.60(5)
Nd2 Ge1 Nd1 6_556 8_656 133.60(5)
Ge1 Ge1 Nd1 5_556 3_546 65.78(5)
Nd2 Ge1 Nd1 . 3_546 134.33(5)
Li2 Ge1 Nd1 2 3_546 77.55(3)
Nd2 Ge1 Nd1 2 3_546 77.55(3)
Li2 Ge1 Nd1 6_556 3_546 81.88(4)
Nd2 Ge1 Nd1 6_556 3_546 81.88(4)
Nd1 Ge1 Nd1 8_656 3_546 74.94(3)
Ge1 Ge1 Nd1 5_556 7_565 65.59(5)
Nd2 Ge1 Nd1 . 7_565 83.73(4)
Li2 Ge1 Nd1 2 7_565 82.72(4)
Nd2 Ge1 Nd1 2 7_565 82.72(4)
Li2 Ge1 Nd1 6_556 7_565 76.63(3)
Nd2 Ge1 Nd1 6_556 7_565 76.63(3)
Nd1 Ge1 Nd1 8_656 7_565 146.74(4)
Nd1 Ge1 Nd1 3_546 7_565 131.37(4)
Ge3 Ge2 Li1 1_554 6_556 120.3(5)
Ge3 Ge2 Li2 1_554 6_556 140.54(3)
Li1 Ge2 Li2 6_556 6_556 75.9(4)
Ge3 Ge2 Nd2 1_554 6_556 140.54(3)
Li1 Ge2 Nd2 6_556 6_556 75.9(4)
Li2 Ge2 Nd2 6_556 6_556 0.00(3)
Ge3 Ge2 Li2 1_554 4_455 140.54(3)
Li1 Ge2 Li2 6_556 4_455 75.9(4)
Li2 Ge2 Li2 6_556 4_455 75.61(5)
Nd2 Ge2 Li2 6_556 4_455 75.61(5)
Ge3 Ge2 Nd2 1_554 4_455 140.54(3)
Li1 Ge2 Nd2 6_556 4_455 75.9(4)
Li2 Ge2 Nd2 6_556 4_455 75.61(5)
Nd2 Ge2 Nd2 6_556 4_455 75.61(5)
Li2 Ge2 Nd2 4_455 4_455 0.00(3)
Ge3 Ge2 Nd2 1_554 . 67.14(5)
Li1 Ge2 Nd2 6_556 . 142.73(3)
Li2 Ge2 Nd2 6_556 . 79.18(3)
Nd2 Ge2 Nd2 6_556 . 79.18(3)
Li2 Ge2 Nd2 4_455 . 123.67(6)
Nd2 Ge2 Nd2 4_455 . 123.67(6)
Ge3 Ge2 Nd2 1_554 7_565 67.14(5)
Li1 Ge2 Nd2 6_556 7_565 142.73(3)
Li2 Ge2 Nd2 6_556 7_565 123.67(6)
Nd2 Ge2 Nd2 6_556 7_565 123.67(6)
Li2 Ge2 Nd2 4_455 7_565 79.18(3)
Nd2 Ge2 Nd2 4_455 7_565 79.18(3)
Nd2 Ge2 Nd2 . 7_565 74.52(5)
Ge3 Ge2 Li2 1_554 7_565 67.14(5)
Li1 Ge2 Li2 6_556 7_565 142.73(3)
Li2 Ge2 Li2 6_556 7_565 123.67(6)
Nd2 Ge2 Li2 6_556 7_565 123.67(6)
Li2 Ge2 Li2 4_455 7_565 79.18(3)
Nd2 Ge2 Li2 4_455 7_565 79.18(3)
Nd2 Ge2 Li2 . 7_565 74.52(5)
Nd2 Ge2 Li2 7_565 7_565 0.000(19)
Ge3 Ge2 Nd1 1_554 3_545 67.28(4)
Li1 Ge2 Nd1 6_556 3_545 72.9(4)
Li2 Ge2 Nd1 6_556 3_545 86.94(3)
Nd2 Ge2 Nd1 6_556 3_545 86.94(3)
Li2 Ge2 Nd1 4_455 3_545 147.11(6)
Nd2 Ge2 Nd1 4_455 3_545 147.11(6)
Nd2 Ge2 Nd1 . 3_545 78.58(3)
Nd2 Ge2 Nd1 7_565 3_545 133.16(6)
Li2 Ge2 Nd1 7_565 3_545 133.16(6)
Ge3 Ge2 Nd1 1_554 5_565 67.28(4)
Li1 Ge2 Nd1 6_556 5_565 72.9(4)
Li2 Ge2 Nd1 6_556 5_565 147.11(6)
Nd2 Ge2 Nd1 6_556 5_565 147.11(6)
Li2 Ge2 Nd1 4_455 5_565 86.94(3)
Nd2 Ge2 Nd1 4_455 5_565 86.94(3)
Nd2 Ge2 Nd1 . 5_565 133.16(6)
Nd2 Ge2 Nd1 7_565 5_565 78.58(3)
Li2 Ge2 Nd1 7_565 5_565 78.58(3)
Nd1 Ge2 Nd1 3_545 5_565 93.52(5)
Ge2 Ge3 Li1 1_556 . 114.9(5)
Ge2 Ge3 Li1 1_556 6_657 122.2(5)
Li1 Ge3 Li1 . 6_657 123.0(7)
Ge2 Ge3 Nd1 1_556 8_656 132.47(3)
Li1 Ge3 Nd1 . 8_656 72.4(3)
Li1 Ge3 Nd1 6_657 8_656 70.0(3)
Ge2 Ge3 Nd1 1_556 2_565 132.47(3)
Li1 Ge3 Nd1 . 2_565 72.4(3)
Li1 Ge3 Nd1 6_657 2_565 70.0(3)
Nd1 Ge3 Nd1 8_656 2_565 95.01(5)
Ge2 Ge3 Li2 1_556 1_556 64.15(5)
Li1 Ge3 Li2 . 1_556 143.03(10)
Li1 Ge3 Li2 6_657 1_556 70.0(4)
Nd1 Ge3 Li2 8_656 1_556 82.65(3)
Nd1 Ge3 Li2 2_565 1_556 138.07(6)
Ge2 Ge3 Nd2 1_556 1_556 64.15(5)
Li1 Ge3 Nd2 . 1_556 143.03(10)
Li1 Ge3 Nd2 6_657 1_556 70.0(4)
Nd1 Ge3 Nd2 8_656 1_556 82.65(3)
Nd1 Ge3 Nd2 2_565 1_556 138.07(6)
Li2 Ge3 Nd2 1_556 1_556 0.00(3)
Ge2 Ge3 Li2 1_556 7_566 64.14(5)
Li1 Ge3 Li2 . 7_566 143.03(10)
Li1 Ge3 Li2 6_657 7_566 70.0(4)
Nd1 Ge3 Li2 8_656 7_566 138.07(6)
Nd1 Ge3 Li2 2_565 7_566 82.65(3)
Li2 Ge3 Li2 1_556 7_566 72.49(5)
Nd2 Ge3 Li2 1_556 7_566 72.49(5)
Ge2 Ge3 Nd2 1_556 7_566 64.14(5)
Li1 Ge3 Nd2 . 7_566 143.03(10)
Li1 Ge3 Nd2 6_657 7_566 70.0(4)
Nd1 Ge3 Nd2 8_656 7_566 138.07(6)
Nd1 Ge3 Nd2 2_565 7_566 82.65(3)
Li2 Ge3 Nd2 1_556 7_566 72.49(5)
Nd2 Ge3 Nd2 1_556 7_566 72.49(5)
Li2 Ge3 Nd2 7_566 7_566 0.00(3)
Ge2 Ge3 Nd1 1_556 3_546 65.13(4)
Li1 Ge3 Nd1 . 3_546 70.9(4)
Li1 Ge3 Nd1 6_657 3_546 134.03(5)
Nd1 Ge3 Nd1 8_656 3_546 75.20(2)
Nd1 Ge3 Nd1 2_565 3_546 143.24(6)
Li2 Ge3 Nd1 1_556 3_546 76.73(3)
Nd2 Ge3 Nd1 1_556 3_546 76.73(3)
Li2 Ge3 Nd1 7_566 3_546 128.16(6)
Nd2 Ge3 Nd1 7_566 3_546 128.16(6)
Ge2 Ge3 Nd1 1_556 5_566 65.13(4)
Li1 Ge3 Nd1 . 5_566 70.9(4)
Li1 Ge3 Nd1 6_657 5_566 134.02(5)
Nd1 Ge3 Nd1 8_656 5_566 143.24(6)
Nd1 Ge3 Nd1 2_565 5_566 75.20(2)
Li2 Ge3 Nd1 1_556 5_566 128.16(6)
Nd2 Ge3 Nd1 1_556 5_566 128.16(6)
Li2 Ge3 Nd1 7_566 5_566 76.73(3)
Nd2 Ge3 Nd1 7_566 5_566 76.73(3)
Nd1 Ge3 Nd1 3_546 5_566 91.54(5)
Ge2 Li1 Ge3 6_656 . 91.4(8)
Ge2 Li1 Ge3 6_656 6_557 178.1(10)
Ge3 Li1 Ge3 . 6_557 90.5(7)
Ge2 Li1 Nd1 6_656 3_546 124.9(6)
Ge3 Li1 Nd1 . 3_546 59.3(4)
Ge3 Li1 Nd1 6_557 3_546 56.2(4)
Ge2 Li1 Nd1 6_656 5_566 124.9(6)
Ge3 Li1 Nd1 . 5_566 59.3(4)
Ge3 Li1 Nd1 6_557 5_566 56.2(4)
Nd1 Li1 Nd1 3_546 5_566 81.4(6)
Ge2 Li1 Nd1 6_656 8_656 58.7(4)
Ge3 Li1 Nd1 . 8_656 57.3(4)
Ge3 Li1 Nd1 6_557 8_656 122.6(6)
Nd1 Li1 Nd1 3_546 8_656 66.3(3)
Nd1 Li1 Nd1 5_566 8_656 116.6(7)
Ge2 Li1 Nd1 6_656 2_565 58.7(4)
Ge3 Li1 Nd1 . 2_565 57.3(4)
Ge3 Li1 Nd1 6_557 2_565 122.6(6)
Nd1 Li1 Nd1 3_546 2_565 116.6(7)
Nd1 Li1 Nd1 5_566 2_565 66.3(3)
Nd1 Li1 Nd1 8_656 2_565 81.2(6)
Ge2 Li1 Li2 6_656 6_556 121.9(7)
Ge3 Li1 Li2 . 6_556 130.8(7)
Ge3 Li1 Li2 6_557 6_556 56.6(4)
Nd1 Li1 Li2 3_546 6_556 71.7(4)
Nd1 Li1 Li2 5_566 6_556 111.8(7)
Nd1 Li1 Li2 8_656 6_556 107.55(7)
Nd1 Li1 Li2 2_565 6_556 170.3(6)
Ge2 Li1 Nd2 6_656 6_556 121.9(7)
Ge3 Li1 Nd2 . 6_556 130.8(7)
Ge3 Li1 Nd2 6_557 6_556 56.6(4)
Nd1 Li1 Nd2 3_546 6_556 71.7(4)
Nd1 Li1 Nd2 5_566 6_556 111.8(7)
Nd1 Li1 Nd2 8_656 6_556 107.55(7)
Nd1 Li1 Nd2 2_565 6_556 170.3(6)
Li2 Li1 Nd2 6_556 6_556 0.00(3)
Ge2 Li1 Li2 6_656 4_455 121.9(7)
Ge3 Li1 Li2 . 4_455 130.8(7)
Ge3 Li1 Li2 6_557 4_455 56.6(4)
Nd1 Li1 Li2 3_546 4_455 111.8(7)
Nd1 Li1 Li2 5_566 4_455 71.7(4)
Nd1 Li1 Li2 8_656 4_455 170.3(6)
Nd1 Li1 Li2 2_565 4_455 107.55(7)
Li2 Li1 Li2 6_556 4_455 63.4(4)
Nd2 Li1 Li2 6_556 4_455 63.4(4)
Ge2 Li1 Nd2 6_656 4_455 121.9(7)
Ge3 Li1 Nd2 . 4_455 130.8(7)
Ge3 Li1 Nd2 6_557 4_455 56.6(4)
Nd1 Li1 Nd2 3_546 4_455 111.8(7)
Nd1 Li1 Nd2 5_566 4_455 71.7(4)
Nd1 Li1 Nd2 8_656 4_455 170.3(6)
Nd1 Li1 Nd2 2_565 4_455 107.55(7)
Li2 Li1 Nd2 6_556 4_455 63.4(4)
Nd2 Li1 Nd2 6_556 4_455 63.4(4)
Li2 Li1 Nd2 4_455 4_455 0.00(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Nd1 Ge3 2_564 3.0806(14)
Nd1 Ge1 8_665 3.0831(14)
Nd1 Ge2 5_565 3.1179(14)
Nd1 Ge3 5_566 3.1699(14)
Nd1 Ge1 3_556 3.1853(14)
Nd1 Ge1 7_565 3.1903(14)
Nd1 Li1 5_566 3.48(2)
Nd1 Li1 2_564 3.49(2)
Nd1 Nd1 6_556 3.8141(7)
Nd1 Nd1 6_656 3.8141(7)
Nd1 Nd2 4_455 3.8721(10)
Nd1 Nd2 3 3.8990(10)
Nd2 Ge1 . 2.9507(14)
Nd2 Ge1 2_554 2.9932(14)
Nd2 Ge2 6_656 3.0013(16)
Nd2 Ge2 . 3.0386(16)
Nd2 Ge1 6_656 3.0529(14)
Nd2 Ge3 1_554 3.1115(15)
Nd2 Li1 6_656 3.50(2)
Nd2 Li1 . 3.53(2)
Nd2 Li2 7_565 3.6793(14)
Nd2 Nd2 7_565 3.6793(14)
Nd2 Nd2 6_556 3.8492(7)
Nd2 Nd2 6_656 3.8493(7)
Ge1 Ge1 5_556 2.625(3)
Ge1 Li2 2 2.9933(14)
Ge1 Nd2 2 2.9933(14)
Ge1 Li2 6_556 3.0528(14)
Ge1 Nd2 6_556 3.0528(14)
Ge1 Nd1 8_656 3.0831(14)
Ge1 Nd1 3_546 3.1854(14)
Ge1 Nd1 7_565 3.1903(14)
Ge2 Ge3 1_554 2.537(2)
Ge2 Li1 6_556 2.73(3)
Ge2 Li2 6_556 3.0013(15)
Ge2 Nd2 6_556 3.0013(15)
Ge2 Li2 4_455 3.0013(15)
Ge2 Nd2 4_455 3.0013(15)
Ge2 Nd2 7_565 3.0387(16)
Ge2 Li2 7_565 3.0387(16)
Ge2 Nd1 3_545 3.1179(14)
Ge2 Nd1 5_565 3.1179(14)
Ge3 Ge2 1_556 2.537(2)
Ge3 Li1 . 2.82(3)
Ge3 Li1 6_657 2.99(3)
Ge3 Nd1 8_656 3.0805(14)
Ge3 Nd1 2_565 3.0805(14)
Ge3 Li2 1_556 3.1115(15)
Ge3 Nd2 1_556 3.1115(15)
Ge3 Li2 7_566 3.1115(15)
Ge3 Nd2 7_566 3.1115(15)
Ge3 Nd1 3_546 3.1698(14)
Ge3 Nd1 5_566 3.1698(14)
Li1 Ge2 6_656 2.73(3)
Li1 Ge3 6_557 2.99(3)
Li1 Nd1 3_546 3.48(2)
Li1 Nd1 5_566 3.48(2)
Li1 Nd1 8_656 3.49(2)
Li1 Nd1 2_565 3.49(2)
Li1 Li2 6_556 3.50(2)
Li1 Nd2 6_556 3.50(2)
Li1 Li2 4_455 3.50(2)
Li1 Nd2 4_455 3.50(2)
