#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:53:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179398 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/95/4329501.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_4329501
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         Sm7Li8Ge10
_chemical_formula_sum            'Ge10 Li8 Sm7'
_chemical_formula_weight         1833.87
_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                   6.8148(6)
_cell_length_b                   33.041(3)
_cell_length_c                   4.3693(4)
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.47
_cell_volume                     983.83(15)
_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  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0213
_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            6803
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    35.498
_exptl_absorpt_correction_T_max  0.5520
_exptl_absorpt_correction_T_min  0.2246
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    6.191
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1556
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.524
_refine_diff_density_min         -0.875
_refine_diff_density_rms         0.215
_refine_ls_extinction_coef       0.00144(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   0.966
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         757
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0221
_refine_ls_R_factor_gt           0.0161
_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)+(0.0187P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0355
_refine_ls_wR_factor_ref         0.0365
_reflns_number_gt                630
_reflns_number_total             757
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300566x_si_002_5.cif
_cod_data_source_block           V
_cod_original_cell_volume        983.83(16)
_cod_database_code               4329501
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
Sm1 Sm 0.0000 0.161008(10) 0.5000 0.00878(11) Uani 1 4 d S
Sm2 Sm 0.0000 0.279197(10) 0.5000 0.00768(10) Uani 1 4 d S
Sm3 Sm 0.0000 0.442906(10) 0.0000 0.00872(10) Uani 1 4 d S
Sm4 Sm 0.0000 0.0000 0.0000 0.00791(12) Uani 1 8 d S
Ge1 Ge 0.18330(8) 0.215188(15) 0.0000 0.00879(13) Uani 1 2 d S
Ge2 Ge 0.0000 0.37348(2) 0.5000 0.00970(17) Uani 1 4 d S
Ge3 Ge 0.0000 0.09395(2) 0.0000 0.00961(17) Uani 1 4 d S
Ge4 Ge 0.31444(10) 0.0000 0.5000 0.00848(16) Uani 1 4 d S
Li1 Li 0.1913(12) 0.0750(2) 0.5000 0.0094(17) Uiso 1 2 d S
Li2 Li 0.3117(12) 0.1429(2) 0.0000 0.0138(18) 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'
Sm Sm -0.1638 3.4418 '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 Sm1 Ge1 47.717(19) 1_556 3_556
Ge1 Sm1 Ge1 109.15(2) 1_556 3
Ge1 Sm1 Ge1 90.047(16) 3_556 3
Ge1 Sm1 Ge1 90.046(16) 1_556 .
Ge1 Sm1 Ge1 109.15(2) 3_556 .
Ge1 Sm1 Ge1 47.717(19) 3 .
Ge1 Sm1 Li2 152.36(15) 1_556 3
Ge1 Sm1 Li2 109.42(13) 3_556 3
Ge1 Sm1 Li2 48.48(14) 3 3
Ge1 Sm1 Li2 83.71(12) . 3
Ge1 Sm1 Li2 48.48(14) 1_556 1_556
Ge1 Sm1 Li2 83.71(12) 3_556 1_556
Ge1 Sm1 Li2 152.36(15) 3 1_556
Ge1 Sm1 Li2 109.42(13) . 1_556
Li2 Sm1 Li2 157.8(3) 3 1_556
Ge1 Sm1 Li2 83.71(12) 1_556 3_556
Ge1 Sm1 Li2 48.48(14) 3_556 3_556
Ge1 Sm1 Li2 109.42(13) 3 3_556
Ge1 Sm1 Li2 152.36(15) . 3_556
Li2 Sm1 Li2 89.4(2) 3 3_556
Li2 Sm1 Li2 86.3(2) 1_556 3_556
Ge1 Sm1 Li2 109.42(13) 1_556 .
Ge1 Sm1 Li2 152.36(15) 3_556 .
Ge1 Sm1 Li2 83.71(12) 3 .
Ge1 Sm1 Li2 48.48(14) . .
Li2 Sm1 Li2 86.3(2) 3 .
Li2 Sm1 Li2 89.4(2) 1_556 .
Li2 Sm1 Li2 157.8(3) 3_556 .
Ge1 Sm1 Ge3 85.187(13) 1_556 1_556
Ge1 Sm1 Ge3 85.187(13) 3_556 1_556
Ge1 Sm1 Ge3 155.425(11) 3 1_556
Ge1 Sm1 Ge3 155.425(11) . 1_556
Li2 Sm1 Ge3 110.92(13) 3 1_556
Li2 Sm1 Ge3 50.88(15) 1_556 1_556
Li2 Sm1 Ge3 50.88(14) 3_556 1_556
Li2 Sm1 Ge3 110.92(13) . 1_556
Ge1 Sm1 Ge3 155.425(11) 1_556 .
Ge1 Sm1 Ge3 155.425(11) 3_556 .
Ge1 Sm1 Ge3 85.187(13) 3 .
Ge1 Sm1 Ge3 85.187(12) . .
Li2 Sm1 Ge3 50.88(14) 3 .
Li2 Sm1 Ge3 110.92(13) 1_556 .
Li2 Sm1 Ge3 110.92(13) 3_556 .
Li2 Sm1 Ge3 50.88(14) . .
Ge3 Sm1 Ge3 89.19(2) 1_556 .
Ge1 Sm1 Li1 134.07(3) 1_556 3_556
Ge1 Sm1 Li1 110.99(10) 3_556 3_556
Ge1 Sm1 Li1 110.99(10) 3 3_556
Ge1 Sm1 Li1 134.07(3) . 3_556
Li2 Sm1 Li1 62.61(17) 3 3_556
Li2 Sm1 Li1 96.34(18) 1_556 3_556
Li2 Sm1 Li1 62.61(17) 3_556 3_556
Li2 Sm1 Li1 96.34(18) . 3_556
Ge3 Sm1 Li1 49.67(6) 1_556 3_556
Ge3 Sm1 Li1 49.67(6) . 3_556
Ge1 Sm1 Li1 110.99(10) 1_556 .
Ge1 Sm1 Li1 134.07(3) 3_556 .
Ge1 Sm1 Li1 134.07(3) 3 .
Ge1 Sm1 Li1 110.99(10) . .
Li2 Sm1 Li1 96.34(18) 3 .
Li2 Sm1 Li1 62.61(17) 1_556 .
Li2 Sm1 Li1 96.34(18) 3_556 .
Li2 Sm1 Li1 62.61(17) . .
Ge3 Sm1 Li1 49.67(6) 1_556 .
Ge3 Sm1 Li1 49.67(6) . .
Li1 Sm1 Li1 49.3(3) 3_556 .
Ge1 Sm2 Ge1 173.08(2) 13_556 15_455
Ge1 Sm2 Ge1 90.486(16) 13_556 13
Ge1 Sm2 Ge1 89.097(16) 15_455 13
Ge1 Sm2 Ge1 89.097(16) 13_556 15_456
Ge1 Sm2 Ge1 90.486(15) 15_455 15_456
Ge1 Sm2 Ge1 173.08(2) 13 15_456
Ge1 Sm2 Ge2 86.542(11) 13_556 .
Ge1 Sm2 Ge2 86.542(11) 15_455 .
Ge1 Sm2 Ge2 86.542(11) 13 .
Ge1 Sm2 Ge2 86.542(11) 15_456 .
Ge1 Sm2 Ge1 104.132(9) 13_556 .
Ge1 Sm2 Ge1 80.414(10) 15_455 .
Ge1 Sm2 Ge1 45.598(17) 13 .
Ge1 Sm2 Ge1 141.014(13) 15_456 .
Ge2 Sm2 Ge1 130.044(9) . .
Ge1 Sm2 Ge1 141.014(14) 13_556 3
Ge1 Sm2 Ge1 45.598(17) 15_455 3
Ge1 Sm2 Ge1 80.414(10) 13 3
Ge1 Sm2 Ge1 104.132(9) 15_456 3
Ge2 Sm2 Ge1 130.044(9) . 3
Ge1 Sm2 Ge1 44.667(18) . 3
Ge1 Sm2 Ge1 80.414(10) 13_556 3_556
Ge1 Sm2 Ge1 104.132(9) 15_455 3_556
Ge1 Sm2 Ge1 141.014(14) 13 3_556
Ge1 Sm2 Ge1 45.598(17) 15_456 3_556
Ge2 Sm2 Ge1 130.044(9) . 3_556
Ge1 Sm2 Ge1 99.912(17) . 3_556
Ge1 Sm2 Ge1 83.300(15) 3 3_556
Ge1 Sm2 Ge1 45.598(17) 13_556 1_556
Ge1 Sm2 Ge1 141.014(13) 15_455 1_556
Ge1 Sm2 Ge1 104.132(9) 13 1_556
Ge1 Sm2 Ge1 80.414(10) 15_456 1_556
Ge2 Sm2 Ge1 130.044(9) . 1_556
Ge1 Sm2 Ge1 83.301(15) . 1_556
Ge1 Sm2 Ge1 99.912(18) 3 1_556
Ge1 Sm2 Ge1 44.667(18) 3_556 1_556
Ge1 Sm2 Li2 43.79(12) 13_556 13_556
Ge1 Sm2 Li2 129.49(12) 15_455 13_556
Ge1 Sm2 Li2 97.90(10) 13 13_556
Ge1 Sm2 Li2 77.10(11) 15_456 13_556
Ge2 Sm2 Li2 44.56(10) . 13_556
Ge1 Sm2 Li2 136.51(13) . 13_556
Ge1 Sm2 Li2 174.58(10) 3 13_556
Ge1 Sm2 Li2 101.03(8) 3_556 13_556
Ge1 Sm2 Li2 85.49(10) 1_556 13_556
Ge1 Sm2 Li2 77.10(11) 13_556 15_456
Ge1 Sm2 Li2 97.90(10) 15_455 15_456
Ge1 Sm2 Li2 129.49(12) 13 15_456
Ge1 Sm2 Li2 43.79(12) 15_456 15_456
Ge2 Sm2 Li2 44.56(10) . 15_456
Ge1 Sm2 Li2 174.58(10) . 15_456
Ge1 Sm2 Li2 136.51(13) 3 15_456
Ge1 Sm2 Li2 85.49(10) 3_556 15_456
Ge1 Sm2 Li2 101.03(8) 1_556 15_456
Li2 Sm2 Li2 41.6(3) 13_556 15_456
Ge1 Sm2 Li2 129.49(12) 13_556 15_455
Ge1 Sm2 Li2 43.79(12) 15_455 15_455
Ge1 Sm2 Li2 77.10(11) 13 15_455
Ge1 Sm2 Li2 97.90(10) 15_456 15_455
Ge2 Sm2 Li2 44.56(10) . 15_455
Ge1 Sm2 Li2 101.03(8) . 15_455
Ge1 Sm2 Li2 85.49(10) 3 15_455
Ge1 Sm2 Li2 136.51(13) 3_556 15_455
Ge1 Sm2 Li2 174.58(10) 1_556 15_455
Li2 Sm2 Li2 89.1(2) 13_556 15_455
Li2 Sm2 Li2 74.46(16) 15_456 15_455
Li1 Sm3 Li1 158.0(3) 15_454 13_556
Li1 Sm3 Li1 90.0(2) 15_454 15_455
Li1 Sm3 Li1 85.8(2) 13_556 15_455
Li1 Sm3 Li1 85.8(2) 15_454 13
Li1 Sm3 Li1 90.0(2) 13_556 13
Li1 Sm3 Li1 158.0(3) 15_455 13
Li1 Sm3 Li2 62.95(17) 15_454 15_455
Li1 Sm3 Li2 96.11(18) 13_556 15_455
Li1 Sm3 Li2 62.95(17) 15_455 15_455
Li1 Sm3 Li2 96.11(18) 13 15_455
Li1 Sm3 Li2 96.11(18) 15_454 13
Li1 Sm3 Li2 62.95(17) 13_556 13
Li1 Sm3 Li2 96.11(18) 15_455 13
Li1 Sm3 Li2 62.95(17) 13 13
Li2 Sm3 Li2 48.7(3) 15_455 13
Li1 Sm3 Ge4 151.38(15) 15_454 13_556
Li1 Sm3 Ge4 49.54(14) 13_556 13_556
Li1 Sm3 Ge4 84.12(12) 15_455 13_556
Li1 Sm3 Ge4 109.36(14) 13 13_556
Li2 Sm3 Ge4 135.30(3) 15_455 13_556
Li2 Sm3 Ge4 112.33(10) 13 13_556
Li1 Sm3 Ge4 109.36(14) 15_454 5_455
Li1 Sm3 Ge4 84.12(12) 13_556 5_455
Li1 Sm3 Ge4 49.54(14) 15_455 5_455
Li1 Sm3 Ge4 151.38(15) 13 5_455
Li2 Sm3 Ge4 112.33(10) 15_455 5_455
Li2 Sm3 Ge4 135.30(3) 13 5_455
Ge4 Sm3 Ge4 47.32(2) 13_556 5_455
Li1 Sm3 Ge4 49.54(14) 15_454 5_454
Li1 Sm3 Ge4 151.38(15) 13_556 5_454
Li1 Sm3 Ge4 109.36(14) 15_455 5_454
Li1 Sm3 Ge4 84.12(12) 13 5_454
Li2 Sm3 Ge4 112.33(10) 15_455 5_454
Li2 Sm3 Ge4 135.30(3) 13 5_454
Ge4 Sm3 Ge4 106.457(14) 13_556 5_454
Ge4 Sm3 Ge4 87.777(14) 5_455 5_454
Li1 Sm3 Ge4 84.12(12) 15_454 13
Li1 Sm3 Ge4 109.36(14) 13_556 13
Li1 Sm3 Ge4 151.38(15) 15_455 13
Li1 Sm3 Ge4 49.54(14) 13 13
Li2 Sm3 Ge4 135.30(3) 15_455 13
Li2 Sm3 Ge4 112.33(10) 13 13
Ge4 Sm3 Ge4 87.777(14) 13_556 13
Ge4 Sm3 Ge4 106.457(14) 5_455 13
Ge4 Sm3 Ge4 47.32(2) 5_454 13
Li1 Sm3 Ge2 110.44(13) 15_454 .
Li1 Sm3 Ge2 51.24(15) 13_556 .
Li1 Sm3 Ge2 51.24(15) 15_455 .
Li1 Sm3 Ge2 110.44(13) 13 .
Li2 Sm3 Ge2 48.72(6) 15_455 .
Li2 Sm3 Ge2 48.72(6) 13 .
Ge4 Sm3 Ge2 87.441(10) 13_556 .
Ge4 Sm3 Ge2 87.441(10) 5_455 .
Ge4 Sm3 Ge2 155.728(13) 5_454 .
Ge4 Sm3 Ge2 155.728(13) 13 .
Li1 Sm3 Ge2 51.24(15) 15_454 1_554
Li1 Sm3 Ge2 110.44(13) 13_556 1_554
Li1 Sm3 Ge2 110.44(13) 15_455 1_554
Li1 Sm3 Ge2 51.24(15) 13 1_554
Li2 Sm3 Ge2 48.72(6) 15_455 1_554
Li2 Sm3 Ge2 48.72(6) 13 1_554
Ge4 Sm3 Ge2 155.727(13) 13_556 1_554
Ge4 Sm3 Ge2 155.727(13) 5_455 1_554
Ge4 Sm3 Ge2 87.443(10) 5_454 1_554
Ge4 Sm3 Ge2 87.443(10) 13 1_554
Ge2 Sm3 Ge2 87.21(2) . 1_554
Ge4 Sm4 Ge4 91.11(2) 9 9_556
Ge4 Sm4 Ge4 88.89(2) 9 1_554
Ge4 Sm4 Ge4 180.0 9_556 1_554
Ge4 Sm4 Ge4 180.0 9 .
Ge4 Sm4 Ge4 88.89(2) 9_556 .
Ge4 Sm4 Ge4 91.11(2) 1_554 .
Ge4 Sm4 Ge3 90.0 9 .
Ge4 Sm4 Ge3 90.0 9_556 .
Ge4 Sm4 Ge3 90.0 1_554 .
Ge4 Sm4 Ge3 90.0 . .
Ge4 Sm4 Ge3 90.0 9 9
Ge4 Sm4 Ge3 90.0 9_556 9
Ge4 Sm4 Ge3 90.0 1_554 9
Ge4 Sm4 Ge3 90.0 . 9
Ge3 Sm4 Ge3 180.0 . 9
Ge4 Sm4 Li1 134.13(12) 9 .
Ge4 Sm4 Li1 79.51(11) 9_556 .
Ge4 Sm4 Li1 100.49(11) 1_554 .
Ge4 Sm4 Li1 45.87(12) . .
Ge3 Sm4 Li1 45.76(10) . .
Ge3 Sm4 Li1 134.24(10) 9 .
Ge4 Sm4 Li1 45.87(12) 9 9
Ge4 Sm4 Li1 100.49(11) 9_556 9
Ge4 Sm4 Li1 79.51(11) 1_554 9
Ge4 Sm4 Li1 134.13(12) . 9
Ge3 Sm4 Li1 134.24(10) . 9
Ge3 Sm4 Li1 45.76(10) 9 9
Li1 Sm4 Li1 180.00(19) . 9
Ge4 Sm4 Li1 79.51(11) 9 11_554
Ge4 Sm4 Li1 134.13(12) 9_556 11_554
Ge4 Sm4 Li1 45.87(12) 1_554 11_554
Ge4 Sm4 Li1 100.49(11) . 11_554
Ge3 Sm4 Li1 134.24(10) . 11_554
Ge3 Sm4 Li1 45.76(10) 9 11_554
Li1 Sm4 Li1 136.9(3) . 11_554
Li1 Sm4 Li1 43.1(3) 9 11_554
Ge4 Sm4 Li1 100.49(11) 9 3_556
Ge4 Sm4 Li1 45.87(12) 9_556 3_556
Ge4 Sm4 Li1 134.13(12) 1_554 3_556
Ge4 Sm4 Li1 79.51(11) . 3_556
Ge3 Sm4 Li1 45.76(10) . 3_556
Ge3 Sm4 Li1 134.24(10) 9 3_556
Li1 Sm4 Li1 43.1(3) . 3_556
Li1 Sm4 Li1 136.9(3) 9 3_556
Li1 Sm4 Li1 180.0(3) 11_554 3_556
Ge4 Sm4 Li1 134.13(12) 9 11
Ge4 Sm4 Li1 79.51(11) 9_556 11
Ge4 Sm4 Li1 100.49(11) 1_554 11
Ge4 Sm4 Li1 45.87(12) . 11
Ge3 Sm4 Li1 134.24(10) . 11
Ge3 Sm4 Li1 45.76(10) 9 11
Li1 Sm4 Li1 88.5(2) . 11
Li1 Sm4 Li1 91.5(2) 9 11
Li1 Sm4 Li1 75.94(16) 11_554 11
Li1 Sm4 Li1 104.06(16) 3_556 11
Ge4 Sm4 Li1 45.87(12) 9 3
Ge4 Sm4 Li1 100.49(11) 9_556 3
Ge4 Sm4 Li1 79.51(11) 1_554 3
Ge4 Sm4 Li1 134.13(12) . 3
Ge3 Sm4 Li1 45.76(10) . 3
Ge3 Sm4 Li1 134.24(10) 9 3
Li1 Sm4 Li1 91.5(2) . 3
Li1 Sm4 Li1 88.5(2) 9 3
Li1 Sm4 Li1 104.06(16) 11_554 3
Li1 Sm4 Li1 75.94(16) 3_556 3
Li1 Sm4 Li1 180.00(19) 11 3
Ge1 Ge1 Ge1 111.56(2) 13 3
Ge1 Ge1 Li2 138.3(2) 13 .
Ge1 Ge1 Li2 110.13(19) 3 .
Ge1 Ge1 Sm2 71.705(18) 13 13_556
Ge1 Ge1 Sm2 134.549(8) 3 13_556
Li2 Ge1 Sm2 79.35(13) . 13_556
Ge1 Ge1 Sm2 71.705(18) 13 13
Ge1 Ge1 Sm2 134.549(8) 3 13
Li2 Ge1 Sm2 79.35(13) . 13
Sm2 Ge1 Sm2 90.486(16) 13_556 13
Ge1 Ge1 Sm1 133.450(11) 13 1_554
Ge1 Ge1 Sm1 66.141(10) 3 1_554
Li2 Ge1 Sm1 66.11(12) . 1_554
Sm2 Ge1 Sm1 145.19(2) 13_556 1_554
Sm2 Ge1 Sm1 79.419(8) 13 1_554
Ge1 Ge1 Sm1 133.451(11) 13 .
Ge1 Ge1 Sm1 66.141(10) 3 .
Li2 Ge1 Sm1 66.11(12) . .
Sm2 Ge1 Sm1 79.420(8) 13_556 .
Sm2 Ge1 Sm1 145.187(19) 13 .
Sm1 Ge1 Sm1 90.047(16) 1_554 .
Ge1 Ge1 Sm2 62.698(16) 13 .
Ge1 Ge1 Sm2 67.667(9) 3 .
Li2 Ge1 Sm2 137.29(4) . .
Sm2 Ge1 Sm2 75.869(9) 13_556 .
Sm2 Ge1 Sm2 134.403(17) 13 .
Sm1 Ge1 Sm2 133.578(18) 1_554 .
Sm1 Ge1 Sm2 75.470(12) . .
Ge1 Ge1 Sm2 62.697(16) 13 1_554
Ge1 Ge1 Sm2 67.667(9) 3 1_554
Li2 Ge1 Sm2 137.29(4) . 1_554
Sm2 Ge1 Sm2 134.403(17) 13_556 1_554
Sm2 Ge1 Sm2 75.869(9) 13 1_554
Sm1 Ge1 Sm2 75.468(11) 1_554 1_554
Sm1 Ge1 Sm2 133.579(18) . 1_554
Sm2 Ge1 Sm2 83.301(15) . 1_554
Li2 Ge2 Li2 155.8(4) 15_455 13_556
Li2 Ge2 Li2 59.4(3) 15_455 13
Li2 Ge2 Li2 115.0(3) 13_556 13
Li2 Ge2 Li2 115.0(3) 15_455 15_456
Li2 Ge2 Li2 59.4(3) 13_556 15_456
Li2 Ge2 Li2 155.8(4) 13 15_456
Li2 Ge2 Li1 121.11(16) 15_455 13_556
Li2 Ge2 Li1 75.3(2) 13_556 13_556
Li2 Ge2 Li1 75.3(2) 13 13_556
Li2 Ge2 Li1 121.11(16) 15_456 13_556
Li2 Ge2 Li1 75.3(2) 15_455 15_455
Li2 Ge2 Li1 121.11(16) 13_556 15_455
Li2 Ge2 Li1 121.11(16) 13 15_455
Li2 Ge2 Li1 75.3(2) 15_456 15_455
Li1 Ge2 Li1 102.0(3) 13_556 15_455
Li2 Ge2 Sm2 77.91(18) 15_455 .
Li2 Ge2 Sm2 77.91(18) 13_556 .
Li2 Ge2 Sm2 77.91(18) 13 .
Li2 Ge2 Sm2 77.91(18) 15_456 .
Li1 Ge2 Sm2 128.99(17) 13_556 .
Li1 Ge2 Sm2 128.99(17) 15_455 .
Li2 Ge2 Sm3 137.15(18) 15_455 1_556
Li2 Ge2 Sm3 64.54(17) 13_556 1_556
Li2 Ge2 Sm3 137.15(18) 13 1_556
Li2 Ge2 Sm3 64.54(17) 15_456 1_556
Li1 Ge2 Sm3 62.89(11) 13_556 1_556
Li1 Ge2 Sm3 62.89(11) 15_455 1_556
Sm2 Ge2 Sm3 136.394(10) . 1_556
Li2 Ge2 Sm3 64.54(17) 15_455 .
Li2 Ge2 Sm3 137.15(19) 13_556 .
Li2 Ge2 Sm3 64.54(17) 13 .
Li2 Ge2 Sm3 137.15(18) 15_456 .
Li1 Ge2 Sm3 62.89(11) 13_556 .
Li1 Ge2 Sm3 62.89(11) 15_455 .
Sm2 Ge2 Sm3 136.396(10) . .
Sm3 Ge2 Sm3 87.21(2) 1_556 .
Li1 Ge3 Li1 59.7(3) 3 1_554
Li1 Ge3 Li1 113.0(3) 3 3_556
Li1 Ge3 Li1 152.3(3) 1_554 3_556
Li1 Ge3 Li1 152.3(3) 3 .
Li1 Ge3 Li1 113.0(3) 1_554 .
Li1 Ge3 Li1 59.7(3) 3_556 .
Li1 Ge3 Li2 122.74(15) 3 .
Li1 Ge3 Li2 75.5(2) 1_554 .
Li1 Ge3 Li2 122.74(15) 3_556 .
Li1 Ge3 Li2 75.5(2) . .
Li1 Ge3 Li2 75.5(2) 3 3
Li1 Ge3 Li2 122.74(15) 1_554 3
Li1 Ge3 Li2 75.5(2) 3_556 3
Li1 Ge3 Li2 122.74(15) . 3
Li2 Ge3 Li2 105.4(4) . 3
Li1 Ge3 Sm4 76.16(17) 3 .
Li1 Ge3 Sm4 76.16(17) 1_554 .
Li1 Ge3 Sm4 76.16(17) 3_556 .
Li1 Ge3 Sm4 76.16(17) . .
Li2 Ge3 Sm4 127.30(18) . .
Li2 Ge3 Sm4 127.30(18) 3 .
Li1 Ge3 Sm1 139.09(18) 3 .
Li1 Ge3 Sm1 139.09(18) 1_554 .
Li1 Ge3 Sm1 65.48(16) 3_556 .
Li1 Ge3 Sm1 65.48(16) . .
Li2 Ge3 Sm1 64.43(11) . .
Li2 Ge3 Sm1 64.43(11) 3 .
Sm4 Ge3 Sm1 135.404(10) . .
Li1 Ge3 Sm1 65.48(16) 3 1_554
Li1 Ge3 Sm1 65.48(16) 1_554 1_554
Li1 Ge3 Sm1 139.09(18) 3_556 1_554
Li1 Ge3 Sm1 139.09(18) . 1_554
Li2 Ge3 Sm1 64.43(11) . 1_554
Li2 Ge3 Sm1 64.43(11) 3 1_554
Sm4 Ge3 Sm1 135.406(10) . 1_554
Sm1 Ge3 Sm1 89.19(2) . 1_554
Ge4 Ge4 Li1 108.71(18) 9_656 .
Ge4 Ge4 Li1 108.71(18) 9_656 11
Li1 Ge4 Li1 142.6(4) . 11
Ge4 Ge4 Sm4 134.446(10) 9_656 .
Li1 Ge4 Sm4 77.02(12) . .
Li1 Ge4 Sm4 77.02(12) 11 .
Ge4 Ge4 Sm4 134.446(10) 9_656 1_556
Li1 Ge4 Sm4 77.02(12) . 1_556
Li1 Ge4 Sm4 77.02(12) 11 1_556
Sm4 Ge4 Sm4 91.11(2) . 1_556
Ge4 Ge4 Sm3 66.342(12) 9_656 13_556
Li1 Ge4 Sm3 64.00(12) . 13_556
Li1 Ge4 Sm3 134.09(5) 11 13_556
Sm4 Ge4 Sm3 140.887(12) . 13_556
Sm4 Ge4 Sm3 77.648(6) 1_556 13_556
Ge4 Ge4 Sm3 66.342(12) 9_656 5_545
Li1 Ge4 Sm3 134.09(5) . 5_545
Li1 Ge4 Sm3 64.00(12) 11 5_545
Sm4 Ge4 Sm3 77.648(6) . 5_545
Sm4 Ge4 Sm3 140.887(12) 1_556 5_545
Sm3 Ge4 Sm3 132.68(2) 13_556 5_545
Ge4 Ge4 Sm3 66.342(12) 9_656 5_546
Li1 Ge4 Sm3 134.09(5) . 5_546
Li1 Ge4 Sm3 64.00(12) 11 5_546
Sm4 Ge4 Sm3 140.887(12) . 5_546
Sm4 Ge4 Sm3 77.648(6) 1_556 5_546
Sm3 Ge4 Sm3 73.547(14) 13_556 5_546
Sm3 Ge4 Sm3 87.775(14) 5_545 5_546
Ge4 Ge4 Sm3 66.342(12) 9_656 13
Li1 Ge4 Sm3 64.00(12) . 13
Li1 Ge4 Sm3 134.09(5) 11 13
Sm4 Ge4 Sm3 77.648(6) . 13
Sm4 Ge4 Sm3 140.887(12) 1_556 13
Sm3 Ge4 Sm3 87.775(14) 13_556 13
Sm3 Ge4 Sm3 73.547(14) 5_545 13
Sm3 Ge4 Sm3 132.68(2) 5_546 13
Li1 Li1 Ge4 108.71(18) 3_556 .
Li1 Li1 Ge3 60.16(16) 3_556 .
Ge4 Li1 Ge3 112.7(2) . .
Li1 Li1 Ge3 60.16(16) 3_556 1_556
Ge4 Li1 Ge3 112.7(2) . 1_556
Ge3 Li1 Ge3 113.0(3) . 1_556
Li1 Li1 Ge2 141.00(17) 3_556 13_556
Ge4 Li1 Ge2 110.3(3) . 13_556
Ge3 Li1 Ge2 103.7(2) . 13_556
Ge3 Li1 Ge2 103.7(2) 1_556 13_556
Li1 Li1 Sm3 132.91(12) 3_556 13_556
Ge4 Li1 Sm3 66.46(16) . 13_556
Ge3 Li1 Sm3 166.9(3) . 13_556
Ge3 Li1 Sm3 78.17(5) 1_556 13_556
Ge2 Li1 Sm3 65.87(16) 13_556 13_556
Li1 Li1 Sm3 132.91(12) 3_556 13
Ge4 Li1 Sm3 66.46(16) . 13
Ge3 Li1 Sm3 78.17(5) . 13
Ge3 Li1 Sm3 166.9(3) 1_556 13
Ge2 Li1 Sm3 65.87(16) 13_556 13
Sm3 Li1 Sm3 90.0(2) 13_556 13
Li1 Li1 Sm1 65.36(15) 3_556 .
Ge4 Li1 Sm1 174.1(3) . .
Ge3 Li1 Sm1 64.85(16) . .
Ge3 Li1 Sm1 64.85(16) 1_556 .
Ge2 Li1 Sm1 75.6(2) 13_556 .
Sm3 Li1 Sm1 117.23(19) 13_556 .
Sm3 Li1 Sm1 117.23(19) 13 .
Li1 Li1 Li2 104.7(2) 3_556 .
Ge4 Li1 Li2 125.1(2) . .
Ge3 Li1 Li2 52.97(15) . .
Ge3 Li1 Li2 121.5(3) 1_556 .
Ge2 Li1 Li2 50.71(18) 13_556 .
Sm3 Li1 Li2 115.9(3) 13_556 .
Sm3 Li1 Li2 58.87(16) 13 .
Sm1 Li1 Li2 58.36(19) . .
Li1 Li1 Li2 104.7(2) 3_556 1_556
Ge4 Li1 Li2 125.1(2) . 1_556
Ge3 Li1 Li2 121.5(3) . 1_556
Ge3 Li1 Li2 52.97(15) 1_556 1_556
Ge2 Li1 Li2 50.71(18) 13_556 1_556
Sm3 Li1 Li2 58.88(16) 13_556 1_556
Sm3 Li1 Li2 115.9(3) 13 1_556
Sm1 Li1 Li2 58.36(19) . 1_556
Li2 Li1 Li2 84.8(3) . 1_556
Li1 Li1 Sm4 68.46(13) 3_556 .
Ge4 Li1 Sm4 57.11(13) . .
Ge3 Li1 Sm4 58.08(11) . .
Ge3 Li1 Sm4 119.8(3) 1_556 .
Ge2 Li1 Sm4 136.42(15) 13_556 .
Sm3 Li1 Sm4 123.5(2) 13_556 .
Sm3 Li1 Sm4 71.43(10) 13 .
Sm1 Li1 Sm4 118.75(19) . .
Li2 Li1 Sm4 99.31(10) . .
Li2 Li1 Sm4 172.6(3) 1_556 .
Li1 Li1 Sm4 68.46(13) 3_556 1_556
Ge4 Li1 Sm4 57.11(13) . 1_556
Ge3 Li1 Sm4 119.8(3) . 1_556
Ge3 Li1 Sm4 58.08(11) 1_556 1_556
Ge2 Li1 Sm4 136.42(15) 13_556 1_556
Sm3 Li1 Sm4 71.43(10) 13_556 1_556
Sm3 Li1 Sm4 123.5(2) 13 1_556
Sm1 Li1 Sm4 118.75(19) . 1_556
Li2 Li1 Sm4 172.6(3) . 1_556
Li2 Li1 Sm4 99.31(10) 1_556 1_556
Sm4 Li1 Sm4 75.94(16) . 1_556
Ge1 Li2 Li2 110.13(19) . 3_655
Ge1 Li2 Ge2 111.5(2) . 13_556
Li2 Li2 Ge2 60.32(16) 3_655 13_556
Ge1 Li2 Ge2 111.5(2) . 13
Li2 Li2 Ge2 60.32(16) 3_655 13
Ge2 Li2 Ge2 115.0(3) 13_556 13
Ge1 Li2 Ge3 107.2(3) . .
Li2 Li2 Ge3 142.70(18) 3_655 .
Ge2 Li2 Ge3 105.5(2) 13_556 .
Ge2 Li2 Ge3 105.5(2) 13 .
Ge1 Li2 Sm1 65.41(16) . .
Li2 Li2 Sm1 133.17(12) 3_655 .
Ge2 Li2 Sm1 77.63(5) 13_556 .
Ge2 Li2 Sm1 166.5(3) 13 .
Ge3 Li2 Sm1 64.68(16) . .
Ge1 Li2 Sm1 65.41(16) . 1_554
Li2 Li2 Sm1 133.17(12) 3_655 1_554
Ge2 Li2 Sm1 166.5(3) 13_556 1_554
Ge2 Li2 Sm1 77.63(5) 13 1_554
Ge3 Li2 Sm1 64.68(16) . 1_554
Sm1 Li2 Sm1 89.4(2) . 1_554
Ge1 Li2 Sm3 175.8(3) . 13
Li2 Li2 Sm3 65.66(15) 3_655 13
Ge2 Li2 Sm3 66.75(17) 13_556 13
Ge2 Li2 Sm3 66.74(17) 13 13
Ge3 Li2 Sm3 77.0(2) . 13
Sm1 Li2 Sm3 117.21(19) . 13
Sm1 Li2 Sm3 117.21(19) 1_554 13
Ge1 Li2 Li1 124.3(2) . 1_554
Li2 Li2 Li1 104.7(2) 3_655 1_554
Ge2 Li2 Li1 123.3(3) 13_556 1_554
Ge2 Li2 Li1 53.95(15) 13 1_554
Ge3 Li2 Li1 51.56(18) . 1_554
Sm1 Li2 Li1 115.8(3) . 1_554
Sm1 Li2 Li1 59.03(16) 1_554 1_554
Sm3 Li2 Li1 58.18(19) 13 1_554
Ge1 Li2 Li1 124.3(2) . .
Li2 Li2 Li1 104.7(2) 3_655 .
Ge2 Li2 Li1 53.95(15) 13_556 .
Ge2 Li2 Li1 123.3(3) 13 .
Ge3 Li2 Li1 51.56(18) . .
Sm1 Li2 Li1 59.03(16) . .
Sm1 Li2 Li1 115.8(3) 1_554 .
Sm3 Li2 Li1 58.18(19) 13 .
Li1 Li2 Li1 84.8(3) 1_554 .
Ge1 Li2 Sm2 56.86(14) . 13_556
Li2 Li2 Sm2 69.18(13) 3_655 13_556
Ge2 Li2 Sm2 57.52(11) 13_556 13_556
Ge2 Li2 Sm2 118.9(3) 13 13_556
Ge3 Li2 Sm2 135.60(17) . 13_556
Sm1 Li2 Sm2 71.36(10) . 13_556
Sm1 Li2 Sm2 122.1(2) 1_554 13_556
Sm3 Li2 Sm2 120.2(2) 13 13_556
Li1 Li2 Sm2 172.8(3) 1_554 13_556
Li1 Li2 Sm2 100.13(10) . 13_556
Ge1 Li2 Sm2 56.86(14) . 13
Li2 Li2 Sm2 69.18(13) 3_655 13
Ge2 Li2 Sm2 118.9(3) 13_556 13
Ge2 Li2 Sm2 57.52(11) 13 13
Ge3 Li2 Sm2 135.60(17) . 13
Sm1 Li2 Sm2 122.1(2) . 13
Sm1 Li2 Sm2 71.36(10) 1_554 13
Sm3 Li2 Sm2 120.2(2) 13 13
Li1 Li2 Sm2 100.13(10) 1_554 13
Li1 Li2 Sm2 172.8(3) . 13
Sm2 Li2 Sm2 74.46(16) 13_556 13
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 Ge1 3.0883(4) 1_556
Sm1 Ge1 3.0883(4) 3_556
Sm1 Ge1 3.0883(4) 3
Sm1 Ge1 3.0883(4) .
Sm1 Li2 3.105(6) 3
Sm1 Li2 3.105(6) 1_556
Sm1 Li2 3.105(6) 3_556
Sm1 Li2 3.105(6) .
Sm1 Ge3 3.1116(6) 1_556
Sm1 Ge3 3.1116(6) .
Sm1 Li1 3.127(8) 3_556
Sm1 Li1 3.127(8) .
Sm2 Ge1 3.0766(4) 13_556
Sm2 Ge1 3.0766(4) 15_455
Sm2 Ge1 3.0766(4) 13
Sm2 Ge1 3.0766(4) 15_456
Sm2 Ge2 3.1154(8) .
Sm2 Ge1 3.2872(5) .
Sm2 Ge1 3.2873(5) 3
Sm2 Ge1 3.2873(5) 3_556
Sm2 Ge1 3.2873(5) 1_556
Sm2 Li2 3.611(7) 13_556
Sm2 Li2 3.611(7) 15_456
Sm2 Li2 3.611(7) 15_455
Sm3 Li1 3.090(6) 15_454
Sm3 Li1 3.090(6) 13_556
Sm3 Li1 3.090(6) 15_455
Sm3 Li1 3.090(6) 13
Sm3 Li2 3.113(8) 15_455
Sm3 Li2 3.113(8) 13
Sm3 Ge4 3.1513(4) 13_556
Sm3 Ge4 3.1513(4) 5_455
Sm3 Ge4 3.1513(4) 5_454
Sm3 Ge4 3.1513(4) 13
Sm3 Ge2 3.1677(6) .
Sm3 Ge2 3.1677(6) 1_554
Sm4 Ge4 3.0601(5) 9
Sm4 Ge4 3.0601(5) 9_556
Sm4 Ge4 3.0601(5) 1_554
Sm4 Ge4 3.0601(5) .
Sm4 Ge3 3.1042(8) .
Sm4 Ge3 3.1042(8) 9
Sm4 Li1 3.551(6) .
Sm4 Li1 3.551(6) 9
Sm4 Li1 3.551(6) 11_554
Sm4 Li1 3.551(6) 3_556
Sm4 Li1 3.551(6) 11
Sm4 Li1 3.551(6) 3
Ge1 Ge1 2.4736(10) 13
Ge1 Ge1 2.4983(11) 3
Ge1 Li2 2.543(8) .
Ge1 Sm2 3.0765(4) 13_556
Ge1 Sm2 3.0765(4) 13
Ge1 Sm1 3.0883(4) 1_554
Ge1 Sm2 3.2872(5) 1_554
Ge2 Li2 2.591(5) 15_455
Ge2 Li2 2.591(5) 13_556
Ge2 Li2 2.591(5) 13
Ge2 Li2 2.591(5) 15_456
Ge2 Li1 2.706(8) 13_556
Ge2 Li1 2.706(8) 15_455
Ge2 Sm3 3.1676(6) 1_556
Ge3 Li1 2.620(4) 3
Ge3 Li1 2.620(4) 1_554
Ge3 Li1 2.620(4) 3_556
Ge3 Li1 2.620(4) .
Ge3 Li2 2.671(8) .
Ge3 Li2 2.671(8) 3
Ge3 Sm1 3.1117(6) 1_554
Ge4 Ge4 2.5292(14) 9_656
Ge4 Li1 2.615(8) .
Ge4 Li1 2.615(8) 11
Ge4 Sm4 3.0601(5) 1_556
Ge4 Sm3 3.1513(4) 13_556
Ge4 Sm3 3.1513(4) 5_545
Ge4 Sm3 3.1513(4) 5_546
Ge4 Sm3 3.1513(4) 13
Li1 Li1 2.608(16) 3_556
Li1 Ge3 2.620(4) 1_556
Li1 Ge2 2.707(8) 13_556
Li1 Sm3 3.090(6) 13_556
Li1 Sm3 3.090(6) 13
Li1 Li2 3.238(9) .
Li1 Li2 3.239(9) 1_556
Li1 Sm4 3.551(6) 1_556
Li2 Li2 2.566(17) 3_655
Li2 Ge2 2.591(5) 13_556
Li2 Ge2 2.591(5) 13
Li2 Sm1 3.105(6) 1_554
Li2 Sm3 3.113(8) 13
Li2 Li1 3.238(9) 1_554
Li2 Sm2 3.611(7) 13_556
Li2 Sm2 3.611(7) 13
