#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:52:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179397 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/94/4329498.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_4329498
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         Ce7Li8Ge10
_chemical_formula_sum            'Ce7 Ge10 Li8'
_chemical_formula_weight         1762.26
_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                   6.9158(11)
_cell_length_b                   33.667(5)
_cell_length_c                   4.4639(7)
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      1.21
_cell_volume                     1039.3(3)
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0802
_diffrn_reflns_av_sigmaI/netI    0.0393
_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            7097
_diffrn_reflns_theta_full        28.24
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    29.156
_exptl_absorpt_correction_T_max  0.5178
_exptl_absorpt_correction_T_min  0.2530
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    5.631
_exptl_crystal_description       block
_exptl_crystal_F_000             1500
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.808
_refine_diff_density_min         -2.473
_refine_diff_density_rms         0.380
_refine_ls_extinction_coef       0.0071(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   1.029
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         787
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0310
_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)+(0.0377P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                611
_reflns_number_total             787
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300566x_si_002_2.cif
_cod_data_source_block           II
_cod_original_cell_volume        1039.4(3)
_cod_database_code               4329498
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
Ce1 Ce 0.0000 0.16052(2) 0.5000 0.0095(2) Uani 1 4 d S
Ce2 Ce 0.0000 0.27898(2) 0.5000 0.0080(2) Uani 1 4 d S
Ce3 Ce 0.0000 0.44207(2) 0.0000 0.0091(2) Uani 1 4 d S
Ce4 Ce 0.0000 0.0000 0.0000 0.0086(3) Uani 1 8 d S
Ge1 Ge 0.18128(16) 0.21581(3) 0.0000 0.0095(3) Uani 1 2 d S
Ge2 Ge 0.0000 0.37309(4) 0.5000 0.0111(4) Uani 1 4 d S
Ge3 Ge 0.0000 0.09396(5) 0.0000 0.0109(4) Uani 1 4 d S
Ge4 Ge 0.3169(2) 0.0000 0.5000 0.0091(3) Uani 1 4 d S
Li1 Li 0.191(3) 0.0746(5) 0.5000 0.009(4) Uiso 1 2 d S
Li2 Li 0.310(2) 0.1431(5) 0.0000 0.005(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'
Ce Ce -0.2486 2.6331 '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 Ce1 Li2 85.8(4) . 3
Li2 Ce1 Li2 90.2(4) . 1_556
Li2 Ce1 Li2 158.6(6) 3 1_556
Li2 Ce1 Li2 158.6(6) . 3_556
Li2 Ce1 Li2 90.2(4) 3 3_556
Li2 Ce1 Li2 85.8(4) 1_556 3_556
Li2 Ce1 Ge3 111.6(2) . 1_556
Li2 Ce1 Ge3 111.6(2) 3 1_556
Li2 Ce1 Ge3 50.8(3) 1_556 1_556
Li2 Ce1 Ge3 50.8(3) 3_556 1_556
Li2 Ce1 Ge3 50.8(3) . .
Li2 Ce1 Ge3 50.8(3) 3 .
Li2 Ce1 Ge3 111.6(2) 1_556 .
Li2 Ce1 Ge3 111.6(2) 3_556 .
Ge3 Ce1 Ge3 89.77(4) 1_556 .
Li2 Ce1 Ge1 109.8(2) . 1_556
Li2 Ce1 Ge1 151.5(3) 3 1_556
Li2 Ce1 Ge1 48.7(3) 1_556 1_556
Li2 Ce1 Ge1 83.1(2) 3_556 1_556
Ge3 Ce1 Ge1 85.36(3) 1_556 1_556
Ge3 Ce1 Ge1 156.11(2) . 1_556
Li2 Ce1 Ge1 151.5(3) . 3_556
Li2 Ce1 Ge1 109.8(2) 3 3_556
Li2 Ce1 Ge1 83.1(2) 1_556 3_556
Li2 Ce1 Ge1 48.7(3) 3_556 3_556
Ge3 Ce1 Ge1 85.36(3) 1_556 3_556
Ge3 Ce1 Ge1 156.11(2) . 3_556
Ge1 Ce1 Ge1 46.67(4) 1_556 3_556
Li2 Ce1 Ge1 83.1(2) . 3
Li2 Ce1 Ge1 48.7(3) 3 3
Li2 Ce1 Ge1 151.5(3) 1_556 3
Li2 Ce1 Ge1 109.8(2) 3_556 3
Ge3 Ce1 Ge1 156.11(2) 1_556 3
Ge3 Ce1 Ge1 85.36(3) . 3
Ge1 Ce1 Ge1 107.95(4) 1_556 3
Ge1 Ce1 Ge1 89.68(3) 3_556 3
Li2 Ce1 Ge1 48.7(3) . .
Li2 Ce1 Ge1 83.1(2) 3 .
Li2 Ce1 Ge1 109.8(2) 1_556 .
Li2 Ce1 Ge1 151.5(3) 3_556 .
Ge3 Ce1 Ge1 156.11(2) 1_556 .
Ge3 Ce1 Ge1 85.36(3) . .
Ge1 Ce1 Ge1 89.68(3) 1_556 .
Ge1 Ce1 Ge1 107.95(4) 3_556 .
Ge1 Ce1 Ge1 46.67(4) 3 .
Li2 Ce1 Li1 96.5(3) . 3_556
Li2 Ce1 Li1 63.1(3) 3 3_556
Li2 Ce1 Li1 96.5(3) 1_556 3_556
Li2 Ce1 Li1 63.1(3) 3_556 3_556
Ge3 Ce1 Li1 49.88(12) 1_556 3_556
Ge3 Ce1 Li1 49.88(12) . 3_556
Ge1 Ce1 Li1 134.39(5) 1_556 3_556
Ge1 Ce1 Li1 111.7(2) 3_556 3_556
Ge1 Ce1 Li1 111.7(2) 3 3_556
Ge1 Ce1 Li1 134.39(5) . 3_556
Li2 Ce1 Li1 63.1(3) . .
Li2 Ce1 Li1 96.5(4) 3 .
Li2 Ce1 Li1 63.1(3) 1_556 .
Li2 Ce1 Li1 96.5(4) 3_556 .
Ge3 Ce1 Li1 49.88(12) 1_556 .
Ge3 Ce1 Li1 49.88(12) . .
Ge1 Ce1 Li1 111.7(2) 1_556 .
Ge1 Ce1 Li1 134.39(5) 3_556 .
Ge1 Ce1 Li1 134.39(5) 3 .
Ge1 Ce1 Li1 111.7(2) . .
Li1 Ce1 Li1 49.1(6) 3_556 .
Ge1 Ce2 Ge1 173.60(5) 13_556 15_455
Ge1 Ce2 Ge1 89.11(3) 13_556 15_456
Ge1 Ce2 Ge1 90.54(3) 15_455 15_456
Ge1 Ce2 Ge1 90.54(3) 13_556 13
Ge1 Ce2 Ge1 89.11(3) 15_455 13
Ge1 Ce2 Ge1 173.60(5) 15_456 13
Ge1 Ce2 Ge2 86.80(2) 13_556 .
Ge1 Ce2 Ge2 86.80(2) 15_455 .
Ge1 Ce2 Ge2 86.80(2) 15_456 .
Ge1 Ce2 Ge2 86.80(2) 13 .
Ge1 Ce2 Ge1 104.346(18) 13_556 .
Ge1 Ce2 Ge1 79.83(2) 15_455 .
Ge1 Ce2 Ge1 140.93(3) 15_456 .
Ge1 Ce2 Ge1 45.17(4) 13 .
Ge2 Ce2 Ge1 129.719(18) . .
Ge1 Ce2 Ge1 140.93(3) 13_556 3
Ge1 Ce2 Ge1 45.17(4) 15_455 3
Ge1 Ce2 Ge1 104.346(18) 15_456 3
Ge1 Ce2 Ge1 79.83(2) 13 3
Ge2 Ce2 Ge1 129.719(18) . 3
Ge1 Ce2 Ge1 44.26(4) . 3
Ge1 Ce2 Ge1 79.83(2) 13_556 3_556
Ge1 Ce2 Ge1 104.346(18) 15_455 3_556
Ge1 Ce2 Ge1 45.17(4) 15_456 3_556
Ge1 Ce2 Ge1 140.93(3) 13 3_556
Ge2 Ce2 Ge1 129.719(18) . 3_556
Ge1 Ce2 Ge1 100.56(4) . 3_556
Ge1 Ce2 Ge1 84.23(3) 3 3_556
Ge1 Ce2 Ge1 45.17(4) 13_556 1_556
Ge1 Ce2 Ge1 140.93(3) 15_455 1_556
Ge1 Ce2 Ge1 79.83(2) 15_456 1_556
Ge1 Ce2 Ge1 104.346(18) 13 1_556
Ge2 Ce2 Ge1 129.719(18) . 1_556
Ge1 Ce2 Ge1 84.23(3) . 1_556
Ge1 Ce2 Ge1 100.56(4) 3 1_556
Ge1 Ce2 Ge1 44.26(4) 3_556 1_556
Ge1 Ce2 Li2 43.9(2) 13_556 13_556
Ge1 Ce2 Li2 129.8(2) 15_455 13_556
Ge1 Ce2 Li2 77.3(2) 15_456 13_556
Ge1 Ce2 Li2 98.07(19) 13 13_556
Ge2 Ce2 Li2 44.64(19) . 13_556
Ge1 Ce2 Li2 136.6(2) . 13_556
Ge1 Ce2 Li2 174.30(18) 3 13_556
Ge1 Ce2 Li2 100.54(15) 3_556 13_556
Ge1 Ce2 Li2 85.08(19) 1_556 13_556
Ge1 Ce2 Li2 77.3(2) 13_556 15_456
Ge1 Ce2 Li2 98.07(19) 15_455 15_456
Ge1 Ce2 Li2 43.9(2) 15_456 15_456
Ge1 Ce2 Li2 129.8(2) 13 15_456
Ge2 Ce2 Li2 44.64(19) . 15_456
Ge1 Ce2 Li2 174.30(18) . 15_456
Ge1 Ce2 Li2 136.6(2) 3 15_456
Ge1 Ce2 Li2 85.08(19) 3_556 15_456
Ge1 Ce2 Li2 100.54(15) 1_556 15_456
Li2 Ce2 Li2 41.8(5) 13_556 15_456
Ge1 Ce2 Li2 98.07(19) 13_556 13
Ge1 Ce2 Li2 77.3(2) 15_455 13
Ge1 Ce2 Li2 129.8(2) 15_456 13
Ge1 Ce2 Li2 43.9(2) 13 13
Ge2 Ce2 Li2 44.64(19) . 13
Ge1 Ce2 Li2 85.08(19) . 13
Ge1 Ce2 Li2 100.54(15) 3 13
Ge1 Ce2 Li2 174.30(18) 3_556 13
Ge1 Ce2 Li2 136.6(2) 1_556 13
Li2 Ce2 Li2 74.5(3) 13_556 13
Li2 Ce2 Li2 89.3(4) 15_456 13
Li1 Ce3 Li1 159.4(6) 15_454 13_556
Li1 Ce3 Li1 90.6(5) 15_454 15_455
Li1 Ce3 Li1 85.7(5) 13_556 15_455
Li1 Ce3 Li1 85.7(5) 15_454 13
Li1 Ce3 Li1 90.6(5) 13_556 13
Li1 Ce3 Li1 159.4(6) 15_455 13
Li1 Ce3 Li2 63.5(3) 15_454 15_455
Li1 Ce3 Li2 96.9(4) 13_556 15_455
Li1 Ce3 Li2 63.5(3) 15_455 15_455
Li1 Ce3 Li2 96.9(4) 13 15_455
Li1 Ce3 Li2 96.9(4) 15_454 13
Li1 Ce3 Li2 63.5(3) 13_556 13
Li1 Ce3 Li2 96.9(4) 15_455 13
Li1 Ce3 Li2 63.5(3) 13 13
Li2 Ce3 Li2 49.2(6) 15_455 13
Li1 Ce3 Ge2 111.3(3) 15_454 .
Li1 Ce3 Ge2 51.6(3) 13_556 .
Li1 Ce3 Ge2 51.6(3) 15_455 .
Li1 Ce3 Ge2 111.3(3) 13 .
Li2 Ce3 Ge2 49.04(12) 15_455 .
Li2 Ce3 Ge2 49.04(12) 13 .
Li1 Ce3 Ge2 51.6(3) 15_454 1_554
Li1 Ce3 Ge2 111.3(3) 13_556 1_554
Li1 Ce3 Ge2 111.3(3) 15_455 1_554
Li1 Ce3 Ge2 51.6(3) 13 1_554
Li2 Ce3 Ge2 49.04(11) 15_455 1_554
Li2 Ce3 Ge2 49.04(12) 13 1_554
Ge2 Ce3 Ge2 87.72(4) . 1_554
Li1 Ce3 Ge4 150.2(3) 15_454 13_556
Li1 Ce3 Ge4 49.4(3) 13_556 13_556
Li1 Ce3 Ge4 83.3(2) 15_455 13_556
Li1 Ce3 Ge4 109.5(3) 13 13_556
Li2 Ce3 Ge4 135.54(5) 15_455 13_556
Li2 Ce3 Ge4 112.73(19) 13 13_556
Ge2 Ce3 Ge4 87.50(2) . 13_556
Ge2 Ce3 Ge4 156.36(3) 1_554 13_556
Li1 Ce3 Ge4 109.5(3) 15_454 5_455
Li1 Ce3 Ge4 83.3(2) 13_556 5_455
Li1 Ce3 Ge4 49.4(3) 15_455 5_455
Li1 Ce3 Ge4 150.2(3) 13 5_455
Li2 Ce3 Ge4 112.73(19) 15_455 5_455
Li2 Ce3 Ge4 135.54(4) 13 5_455
Ge2 Ce3 Ge4 87.50(2) . 5_455
Ge2 Ce3 Ge4 156.36(3) 1_554 5_455
Ge4 Ce3 Ge4 46.28(5) 13_556 5_455
Li1 Ce3 Ge4 49.4(3) 15_454 5_454
Li1 Ce3 Ge4 150.2(3) 13_556 5_454
Li1 Ce3 Ge4 109.5(3) 15_455 5_454
Li1 Ce3 Ge4 83.3(2) 13 5_454
Li2 Ce3 Ge4 112.73(19) 15_455 5_454
Li2 Ce3 Ge4 135.54(4) 13 5_454
Ge2 Ce3 Ge4 156.36(3) . 5_454
Ge2 Ce3 Ge4 87.50(2) 1_554 5_454
Ge4 Ce3 Ge4 105.54(3) 13_556 5_454
Ge4 Ce3 Ge4 87.65(3) 5_455 5_454
Li1 Ce3 Ge4 83.3(2) 15_454 13
Li1 Ce3 Ge4 109.5(3) 13_556 13
Li1 Ce3 Ge4 150.2(3) 15_455 13
Li1 Ce3 Ge4 49.4(3) 13 13
Li2 Ce3 Ge4 135.54(4) 15_455 13
Li2 Ce3 Ge4 112.73(19) 13 13
Ge2 Ce3 Ge4 156.36(3) . 13
Ge2 Ce3 Ge4 87.50(2) 1_554 13
Ge4 Ce3 Ge4 87.65(3) 13_556 13
Ge4 Ce3 Ge4 105.54(3) 5_455 13
Ge4 Ce3 Ge4 46.28(5) 5_454 13
Ge4 Ce4 Ge4 91.05(4) 9 9_556
Ge4 Ce4 Ge4 88.95(4) 9 1_554
Ge4 Ce4 Ge4 180.00(4) 9_556 1_554
Ge4 Ce4 Ge4 180.0 9 .
Ge4 Ce4 Ge4 88.95(4) 9_556 .
Ge4 Ce4 Ge4 91.05(4) 1_554 .
Ge4 Ce4 Ge3 90.0 9 .
Ge4 Ce4 Ge3 90.0 9_556 .
Ge4 Ce4 Ge3 90.0 1_554 .
Ge4 Ce4 Ge3 90.0 . .
Ge4 Ce4 Ge3 90.0 9 9
Ge4 Ce4 Ge3 90.0 9_556 9
Ge4 Ce4 Ge3 90.0 1_554 9
Ge4 Ce4 Ge3 90.0 . 9
Ge3 Ce4 Ge3 180.0 . 9
Ge4 Ce4 Li1 134.2(2) 9 .
Ge4 Ce4 Li1 79.4(2) 9_556 .
Ge4 Ce4 Li1 100.6(2) 1_554 .
Ge4 Ce4 Li1 45.8(2) . .
Ge3 Ce4 Li1 45.9(2) . .
Ge3 Ce4 Li1 134.1(2) 9 .
Ge4 Ce4 Li1 45.8(2) 9 9
Ge4 Ce4 Li1 100.6(2) 9_556 9
Ge4 Ce4 Li1 79.4(2) 1_554 9
Ge4 Ce4 Li1 134.2(2) . 9
Ge3 Ce4 Li1 134.1(2) . 9
Ge3 Ce4 Li1 45.9(2) 9 9
Li1 Ce4 Li1 179.999(1) . 9
Ge4 Ce4 Li1 79.4(2) 9 11_554
Ge4 Ce4 Li1 134.2(2) 9_556 11_554
Ge4 Ce4 Li1 45.8(2) 1_554 11_554
Ge4 Ce4 Li1 100.6(2) . 11_554
Ge3 Ce4 Li1 134.1(2) . 11_554
Ge3 Ce4 Li1 45.9(2) 9 11_554
Li1 Ce4 Li1 137.0(5) . 11_554
Li1 Ce4 Li1 43.0(5) 9 11_554
Ge4 Ce4 Li1 100.6(2) 9 3_556
Ge4 Ce4 Li1 45.8(2) 9_556 3_556
Ge4 Ce4 Li1 134.2(2) 1_554 3_556
Ge4 Ce4 Li1 79.4(2) . 3_556
Ge3 Ce4 Li1 45.9(2) . 3_556
Ge3 Ce4 Li1 134.1(2) 9 3_556
Li1 Ce4 Li1 43.0(5) . 3_556
Li1 Ce4 Li1 137.0(5) 9 3_556
Li1 Ce4 Li1 180.0(7) 11_554 3_556
Ge4 Ce4 Li1 134.2(2) 9 11
Ge4 Ce4 Li1 79.4(2) 9_556 11
Ge4 Ce4 Li1 100.6(2) 1_554 11
Ge4 Ce4 Li1 45.8(2) . 11
Ge3 Ce4 Li1 134.1(2) . 11
Ge3 Ce4 Li1 45.9(2) 9 11
Li1 Ce4 Li1 88.2(4) . 11
Li1 Ce4 Li1 91.8(4) 9 11
Li1 Ce4 Li1 76.4(3) 11_554 11
Li1 Ce4 Li1 103.6(3) 3_556 11
Ge4 Ce4 Li1 45.8(2) 9 3
Ge4 Ce4 Li1 100.6(2) 9_556 3
Ge4 Ce4 Li1 79.4(2) 1_554 3
Ge4 Ce4 Li1 134.2(2) . 3
Ge3 Ce4 Li1 45.9(2) . 3
Ge3 Ce4 Li1 134.1(2) 9 3
Li1 Ce4 Li1 91.8(4) . 3
Li1 Ce4 Li1 88.2(4) 9 3
Li1 Ce4 Li1 103.6(3) 11_554 3
Li1 Ce4 Li1 76.4(3) 3_556 3
Li1 Ce4 Li1 180.0(4) 11 3
Ge1 Ge1 Ge1 112.43(5) 13 3
Ge1 Ge1 Li2 137.6(4) 13 .
Ge1 Ge1 Li2 110.0(3) 3 .
Ge1 Ge1 Ce2 71.38(4) 13 13_556
Ge1 Ge1 Ce2 134.553(16) 3 13_556
Li2 Ge1 Ce2 79.2(2) . 13_556
Ge1 Ge1 Ce2 71.38(4) 13 13
Ge1 Ge1 Ce2 134.553(16) 3 13
Li2 Ge1 Ce2 79.2(2) . 13
Ce2 Ge1 Ce2 90.54(3) 13_556 13
Ge1 Ge1 Ce1 134.01(2) 13 .
Ge1 Ge1 Ce1 66.67(2) 3 .
Li2 Ge1 Ce1 65.3(2) . .
Ce2 Ge1 Ce1 79.033(17) 13_556 .
Ce2 Ge1 Ce1 144.26(4) 13 .
Ge1 Ge1 Ce1 134.01(2) 13 1_554
Ge1 Ge1 Ce1 66.67(2) 3 1_554
Li2 Ge1 Ce1 65.3(2) . 1_554
Ce2 Ge1 Ce1 144.26(4) 13_556 1_554
Ce2 Ge1 Ce1 79.033(17) 13 1_554
Ce1 Ge1 Ce1 89.68(3) . 1_554
Ge1 Ge1 Ce2 63.46(3) 13 1_554
Ge1 Ge1 Ce2 67.870(19) 3 1_554
Li2 Ge1 Ce2 136.83(7) . 1_554
Ce2 Ge1 Ce2 134.83(4) 13_556 1_554
Ce2 Ge1 Ce2 75.653(18) 13 1_554
Ce1 Ge1 Ce2 134.39(4) . 1_554
Ce1 Ge1 Ce2 75.74(2) 1_554 1_554
Ge1 Ge1 Ce2 63.45(3) 13 .
Ge1 Ge1 Ce2 67.871(19) 3 .
Li2 Ge1 Ce2 136.83(7) . .
Ce2 Ge1 Ce2 75.653(18) 13_556 .
Ce2 Ge1 Ce2 134.83(4) 13 .
Ce1 Ge1 Ce2 75.74(2) . .
Ce1 Ge1 Ce2 134.39(4) 1_554 .
Ce2 Ge1 Ce2 84.23(3) 1_554 .
Li2 Ge2 Li2 156.2(7) 15_455 13_556
Li2 Ge2 Li2 59.5(6) 15_455 13
Li2 Ge2 Li2 115.0(6) 13_556 13
Li2 Ge2 Li2 115.0(6) 15_455 15_456
Li2 Ge2 Li2 59.5(6) 13_556 15_456
Li2 Ge2 Li2 156.2(7) 13 15_456
Li2 Ge2 Li1 120.9(3) 15_455 13_556
Li2 Ge2 Li1 75.4(4) 13_556 13_556
Li2 Ge2 Li1 75.4(4) 13 13_556
Li2 Ge2 Li1 120.9(3) 15_456 13_556
Li2 Ge2 Li1 75.4(4) 15_455 15_455
Li2 Ge2 Li1 120.9(3) 13_556 15_455
Li2 Ge2 Li1 120.9(3) 13 15_455
Li2 Ge2 Li1 75.4(4) 15_456 15_455
Li1 Ge2 Li1 101.0(7) 13_556 15_455
Li2 Ge2 Ce2 78.1(3) 15_455 .
Li2 Ge2 Ce2 78.1(3) 13_556 .
Li2 Ge2 Ce2 78.1(3) 13 .
Li2 Ge2 Ce2 78.1(3) 15_456 .
Li1 Ge2 Ce2 129.5(4) 13_556 .
Li1 Ge2 Ce2 129.5(4) 15_455 .
Li2 Ge2 Ce3 137.1(3) 15_455 1_556
Li2 Ge2 Ce3 64.2(3) 13_556 1_556
Li2 Ge2 Ce3 137.1(3) 13 1_556
Li2 Ge2 Ce3 64.2(3) 15_456 1_556
Li1 Ge2 Ce3 62.7(2) 13_556 1_556
Li1 Ge2 Ce3 62.7(2) 15_455 1_556
Ce2 Ge2 Ce3 136.14(2) . 1_556
Li2 Ge2 Ce3 64.2(3) 15_455 .
Li2 Ge2 Ce3 137.1(3) 13_556 .
Li2 Ge2 Ce3 64.2(3) 13 .
Li2 Ge2 Ce3 137.1(3) 15_456 .
Li1 Ge2 Ce3 62.7(2) 13_556 .
Li1 Ge2 Ce3 62.7(2) 15_455 .
Ce2 Ge2 Ce3 136.14(2) . .
Ce3 Ge2 Ce3 87.72(4) 1_556 .
Li1 Ge3 Li1 59.2(7) 3 1_554
Li1 Ge3 Li1 113.1(6) 3 3_556
Li1 Ge3 Li1 151.8(7) 1_554 3_556
Li1 Ge3 Li1 151.8(7) 3 .
Li1 Ge3 Li1 113.1(6) 1_554 .
Li1 Ge3 Li1 59.2(7) 3_556 .
Li1 Ge3 Li2 76.0(4) 3 3
Li1 Ge3 Li2 122.7(3) 1_554 3
Li1 Ge3 Li2 76.0(4) 3_556 3
Li1 Ge3 Li2 122.7(3) . 3
Li1 Ge3 Li2 122.7(3) 3 .
Li1 Ge3 Li2 76.0(4) 1_554 .
Li1 Ge3 Li2 122.7(3) 3_556 .
Li1 Ge3 Li2 76.0(4) . .
Li2 Ge3 Li2 104.7(7) 3 .
Li1 Ge3 Ce1 65.4(3) 3 1_554
Li1 Ge3 Ce1 65.4(3) 1_554 1_554
Li1 Ge3 Ce1 139.6(4) 3_556 1_554
Li1 Ge3 Ce1 139.6(4) . 1_554
Li2 Ge3 Ce1 64.3(2) 3 1_554
Li2 Ge3 Ce1 64.3(2) . 1_554
Li1 Ge3 Ce1 139.6(4) 3 .
Li1 Ge3 Ce1 139.6(4) 1_554 .
Li1 Ge3 Ce1 65.4(3) 3_556 .
Li1 Ge3 Ce1 65.4(3) . .
Li2 Ge3 Ce1 64.3(2) 3 .
Li2 Ge3 Ce1 64.3(2) . .
Ce1 Ge3 Ce1 89.77(4) 1_554 .
Li1 Ge3 Ce4 75.9(4) 3 .
Li1 Ge3 Ce4 75.9(4) 1_554 .
Li1 Ge3 Ce4 75.9(4) 3_556 .
Li1 Ge3 Ce4 75.9(4) . .
Li2 Ge3 Ce4 127.7(3) 3 .
Li2 Ge3 Ce4 127.7(3) . .
Ce1 Ge3 Ce4 135.12(2) 1_554 .
Ce1 Ge3 Ce4 135.12(2) . .
Ge4 Ge4 Li1 109.1(4) 9_656 .
Ge4 Ge4 Li1 109.1(4) 9_656 11
Li1 Ge4 Li1 141.8(8) . 11
Ge4 Ge4 Ce4 134.47(2) 9_656 .
Li1 Ge4 Ce4 76.8(3) . .
Li1 Ge4 Ce4 76.8(3) 11 .
Ge4 Ge4 Ce4 134.47(2) 9_656 1_556
Li1 Ge4 Ce4 76.8(3) . 1_556
Li1 Ge4 Ce4 76.8(3) 11 1_556
Ce4 Ge4 Ce4 91.05(4) . 1_556
Ge4 Ge4 Ce3 66.86(3) 9_656 13_556
Li1 Ge4 Ce3 63.7(2) . 13_556
Li1 Ge4 Ce3 134.45(9) 11 13_556
Ce4 Ge4 Ce3 140.30(3) . 13_556
Ce4 Ge4 Ce3 77.360(12) 1_556 13_556
Ge4 Ge4 Ce3 66.86(3) 9_656 5_545
Li1 Ge4 Ce3 134.45(9) . 5_545
Li1 Ge4 Ce3 63.7(2) 11 5_545
Ce4 Ge4 Ce3 77.360(11) . 5_545
Ce4 Ge4 Ce3 140.30(3) 1_556 5_545
Ce3 Ge4 Ce3 133.72(5) 13_556 5_545
Ge4 Ge4 Ce3 66.86(3) 9_656 5_546
Li1 Ge4 Ce3 134.45(9) . 5_546
Li1 Ge4 Ce3 63.7(2) 11 5_546
Ce4 Ge4 Ce3 140.30(3) . 5_546
Ce4 Ge4 Ce3 77.360(12) 1_556 5_546
Ce3 Ge4 Ce3 74.47(3) 13_556 5_546
Ce3 Ge4 Ce3 87.65(3) 5_545 5_546
Ge4 Ge4 Ce3 66.86(3) 9_656 13
Li1 Ge4 Ce3 63.7(2) . 13
Li1 Ge4 Ce3 134.45(9) 11 13
Ce4 Ge4 Ce3 77.360(12) . 13
Ce4 Ge4 Ce3 140.30(3) 1_556 13
Ce3 Ge4 Ce3 87.65(3) 13_556 13
Ce3 Ge4 Ce3 74.47(3) 5_545 13
Ce3 Ge4 Ce3 133.72(5) 5_546 13
Li1 Li1 Ge4 109.1(4) 3_556 .
Li1 Li1 Ge3 60.4(3) 3_556 .
Ge4 Li1 Ge3 113.1(4) . .
Li1 Li1 Ge3 60.4(3) 3_556 1_556
Ge4 Li1 Ge3 113.1(4) . 1_556
Ge3 Li1 Ge3 113.1(6) . 1_556
Li1 Li1 Ge2 140.5(4) 3_556 13_556
Ge4 Li1 Ge2 110.4(6) . 13_556
Ge3 Li1 Ge2 103.1(4) . 13_556
Ge3 Li1 Ge2 103.1(4) 1_556 13_556
Li1 Li1 Ce3 132.9(2) 3_556 13_556
Ge4 Li1 Ce3 67.0(3) . 13_556
Ge3 Li1 Ce3 166.6(6) . 13_556
Ge3 Li1 Ce3 77.68(9) 1_556 13_556
Ge2 Li1 Ce3 65.7(3) 13_556 13_556
Li1 Li1 Ce3 132.9(2) 3_556 13
Ge4 Li1 Ce3 67.0(3) . 13
Ge3 Li1 Ce3 77.68(9) . 13
Ge3 Li1 Ce3 166.6(6) 1_556 13
Ge2 Li1 Ce3 65.7(3) 13_556 13
Ce3 Li1 Ce3 90.6(5) 13_556 13
Li1 Li1 Ce1 65.4(3) 3_556 .
Ge4 Li1 Ce1 174.5(7) . .
Ge3 Li1 Ce1 64.7(3) . .
Ge3 Li1 Ce1 64.7(3) 1_556 .
Ge2 Li1 Ce1 75.1(4) 13_556 .
Ce3 Li1 Ce1 116.5(4) 13_556 .
Ce3 Li1 Ce1 116.5(4) 13 .
Li1 Li1 Li2 104.4(4) 3_556 1_556
Ge4 Li1 Li2 125.2(5) . 1_556
Ge3 Li1 Li2 121.0(6) . 1_556
Ge3 Li1 Li2 52.5(3) 1_556 1_556
Ge2 Li1 Li2 50.6(3) 13_556 1_556
Ce3 Li1 Li2 58.5(3) 13_556 1_556
Ce3 Li1 Li2 115.8(6) 13 1_556
Ce1 Li1 Li2 58.0(4) . 1_556
Li1 Li1 Li2 104.4(4) 3_556 .
Ge4 Li1 Li2 125.2(5) . .
Ge3 Li1 Li2 52.5(3) . .
Ge3 Li1 Li2 121.0(6) 1_556 .
Ge2 Li1 Li2 50.6(3) 13_556 .
Ce3 Li1 Li2 115.8(6) 13_556 .
Ce3 Li1 Li2 58.5(3) 13 .
Ce1 Li1 Li2 58.0(4) . .
Li2 Li1 Li2 84.7(6) 1_556 .
Li1 Li1 Ce4 68.5(3) 3_556 .
Ge4 Li1 Ce4 57.5(3) . .
Ge3 Li1 Ce4 58.2(2) . .
Ge3 Li1 Ce4 120.3(6) 1_556 .
Ge2 Li1 Ce4 136.5(3) 13_556 .
Ce3 Li1 Ce4 124.3(5) 13_556 .
Ce3 Li1 Ce4 71.7(2) 13 .
Ce1 Li1 Ce4 118.7(4) . .
Li2 Li1 Ce4 172.5(6) 1_556 .
Li2 Li1 Ce4 99.13(19) . .
Li1 Li1 Ce4 68.5(3) 3_556 1_556
Ge4 Li1 Ce4 57.5(3) . 1_556
Ge3 Li1 Ce4 120.3(6) . 1_556
Ge3 Li1 Ce4 58.2(2) 1_556 1_556
Ge2 Li1 Ce4 136.5(3) 13_556 1_556
Ce3 Li1 Ce4 71.7(2) 13_556 1_556
Ce3 Li1 Ce4 124.3(5) 13 1_556
Ce1 Li1 Ce4 118.7(4) . 1_556
Li2 Li1 Ce4 99.13(19) 1_556 1_556
Li2 Li1 Ce4 172.5(6) . 1_556
Ce4 Li1 Ce4 76.4(3) . 1_556
Ge1 Li2 Li2 110.0(3) . 3_655
Ge1 Li2 Ge2 111.3(4) . 13_556
Li2 Li2 Ge2 60.2(3) 3_655 13_556
Ge1 Li2 Ge2 111.3(4) . 13
Li2 Li2 Ge2 60.2(3) 3_655 13
Ge2 Li2 Ge2 115.0(6) 13_556 13
Ge1 Li2 Ge3 107.7(6) . .
Li2 Li2 Ge3 142.3(3) 3_655 .
Ge2 Li2 Ge3 105.5(4) 13_556 .
Ge2 Li2 Ge3 105.5(4) 13 .
Ge1 Li2 Ce1 66.0(3) . 1_554
Li2 Li2 Ce1 132.9(2) 3_655 1_554
Ge2 Li2 Ce1 166.9(5) 13_556 1_554
Ge2 Li2 Ce1 77.22(9) 13 1_554
Ge3 Li2 Ce1 64.8(3) . 1_554
Ge1 Li2 Ce1 66.0(3) . .
Li2 Li2 Ce1 132.9(2) 3_655 .
Ge2 Li2 Ce1 77.22(9) 13_556 .
Ge2 Li2 Ce1 166.9(5) 13 .
Ge3 Li2 Ce1 64.8(3) . .
Ce1 Li2 Ce1 90.2(4) 1_554 .
Ge1 Li2 Ce3 175.4(6) . 13
Li2 Li2 Ce3 65.4(3) 3_655 13
Ge2 Li2 Ce3 66.8(3) 13_556 13
Ge2 Li2 Ce3 66.8(3) 13 13
Ge3 Li2 Ce3 76.9(4) . 13
Ce1 Li2 Ce3 116.9(4) 1_554 13
Ce1 Li2 Ce3 116.9(4) . 13
Ge1 Li2 Li1 124.7(5) . 1_554
Li2 Li2 Li1 104.4(4) 3_655 1_554
Ge2 Li2 Li1 123.2(6) 13_556 1_554
Ge2 Li2 Li1 54.0(3) 13 1_554
Ge3 Li2 Li1 51.6(3) . 1_554
Ce1 Li2 Li1 58.9(3) 1_554 1_554
Ce1 Li2 Li1 116.0(6) . 1_554
Ce3 Li2 Li1 58.0(4) 13 1_554
Ge1 Li2 Li1 124.7(5) . .
Li2 Li2 Li1 104.4(4) 3_655 .
Ge2 Li2 Li1 54.0(3) 13_556 .
Ge2 Li2 Li1 123.2(6) 13 .
Ge3 Li2 Li1 51.6(4) . .
Ce1 Li2 Li1 116.0(6) 1_554 .
Ce1 Li2 Li1 58.9(3) . .
Ce3 Li2 Li1 58.0(4) 13 .
Li1 Li2 Li1 84.7(6) 1_554 .
Ge1 Li2 Ce2 56.8(2) . 13_556
Li2 Li2 Ce2 69.1(2) 3_655 13_556
Ge2 Li2 Ce2 57.3(2) 13_556 13_556
Ge2 Li2 Ce2 118.7(5) 13 13_556
Ge3 Li2 Ce2 135.8(3) . 13_556
Ce1 Li2 Ce2 122.6(5) 1_554 13_556
Ce1 Li2 Ce2 71.41(19) . 13_556
Ce3 Li2 Ce2 119.9(4) 13 13_556
Li1 Li2 Ce2 172.6(5) 1_554 13_556
Li1 Li2 Ce2 100.1(2) . 13_556
Ge1 Li2 Ce2 56.8(2) . 13
Li2 Li2 Ce2 69.1(2) 3_655 13
Ge2 Li2 Ce2 118.7(5) 13_556 13
Ge2 Li2 Ce2 57.3(2) 13 13
Ge3 Li2 Ce2 135.8(3) . 13
Ce1 Li2 Ce2 71.41(19) 1_554 13
Ce1 Li2 Ce2 122.6(5) . 13
Ce3 Li2 Ce2 119.9(4) 13 13
Li1 Li2 Ce2 100.1(2) 1_554 13
Li1 Li2 Ce2 172.6(5) . 13
Ce2 Li2 Ce2 74.5(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
Ce1 Li2 3.150(11) .
Ce1 Li2 3.150(11) 3
Ce1 Li2 3.150(11) 1_556
Ce1 Li2 3.150(11) 3_556
Ce1 Ge3 3.1629(12) 1_556
Ce1 Ge3 3.1629(12) .
Ce1 Ge1 3.1652(9) 1_556
Ce1 Ge1 3.1652(9) 3_556
Ce1 Ge1 3.1652(9) 3
Ce1 Ge1 3.1652(9) .
Ce1 Li1 3.180(17) 3_556
Ce1 Li1 3.180(17) .
Ce2 Ge1 3.1417(9) 13_556
Ce2 Ge1 3.1417(9) 15_455
Ce2 Ge1 3.1417(9) 15_456
Ce2 Ge1 3.1417(9) 13
Ce2 Ge2 3.1684(18) .
Ce2 Ge1 3.3282(10) .
Ce2 Ge1 3.3282(10) 3
Ce2 Ge1 3.3282(10) 3_556
Ce2 Ge1 3.3282(10) 1_556
Ce2 Li2 3.686(12) 13_556
Ce2 Li2 3.686(12) 15_456
Ce2 Li2 3.686(12) 13
Ce3 Li1 3.140(12) 15_454
Ce3 Li1 3.140(12) 13_556
Ce3 Li1 3.140(12) 15_455
Ce3 Li1 3.140(12) 13
Ce3 Li2 3.155(15) 15_455
Ce3 Li2 3.155(15) 13
Ce3 Ge2 3.2211(12) .
Ce3 Ge2 3.2211(12) 1_554
Ce3 Ge4 3.2232(8) 13_556
Ce3 Ge4 3.2232(8) 5_455
Ce3 Ge4 3.2232(8) 5_454
Ce3 Ge4 3.2232(8) 13
Ce4 Ge4 3.1278(11) 9
Ce4 Ge4 3.1278(11) 9_556
Ce4 Ge4 3.1278(11) 1_554
Ce4 Ge4 3.1278(11) .
Ce4 Ge3 3.1633(16) .
Ce4 Ge3 3.1633(16) 9
Ce4 Li1 3.611(14) .
Ce4 Li1 3.611(14) 9
Ce4 Li1 3.611(14) 11_554
Ce4 Li1 3.611(14) 3_556
Ce4 Li1 3.611(14) 11
Ce4 Li1 3.611(14) 3
Ge1 Ge1 2.491(2) 13
Ge1 Ge1 2.507(2) 3
Ge1 Li2 2.604(15) .
Ge1 Ce2 3.1418(9) 13_556
Ge1 Ce2 3.1418(9) 13
Ge1 Ce1 3.1653(9) 1_554
Ge1 Ce2 3.3281(10) 1_554
Ge2 Li2 2.647(9) 15_455
Ge2 Li2 2.647(9) 13_556
Ge2 Li2 2.647(9) 13
Ge2 Li2 2.647(9) 15_456
Ge2 Li1 2.768(18) 13_556
Ge2 Li1 2.768(18) 15_455
Ge2 Ce3 3.2211(12) 1_556
Ge3 Li1 2.675(10) 3
Ge3 Li1 2.675(10) 1_554
Ge3 Li1 2.675(10) 3_556
Ge3 Li1 2.675(10) .
Ge3 Li2 2.708(16) 3
Ge3 Li2 2.708(16) .
Ge3 Ce1 3.1629(12) 1_554
Ge4 Ge4 2.533(3) 9_656
Ge4 Li1 2.658(17) .
Ge4 Li1 2.658(17) 11
Ge4 Ce4 3.1278(11) 1_556
Ge4 Ce3 3.2232(8) 13_556
Ge4 Ce3 3.2232(8) 5_545
Ge4 Ce3 3.2232(8) 5_546
Ge4 Ce3 3.2232(8) 13
Li1 Li1 2.64(4) 3_556
Li1 Ge3 2.675(10) 1_556
Li1 Ge2 2.768(18) 13_556
Li1 Ce3 3.140(12) 13_556
Li1 Ce3 3.140(12) 13
Li1 Li2 3.313(18) 1_556
Li1 Li2 3.313(18) .
Li1 Ce4 3.611(14) 1_556
Li2 Li2 2.63(3) 3_655
Li2 Ge2 2.647(9) 13_556
Li2 Ge2 2.647(9) 13
Li2 Ce1 3.150(11) 1_554
Li2 Ce3 3.155(15) 13
Li2 Li1 3.313(18) 1_554
Li2 Ce2 3.686(12) 13_556
Li2 Ce2 3.686(12) 13
