#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:52:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179397 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/94/4329499.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_4329499
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         Pr7Li8Ge10
_chemical_formula_sum            'Ge10 Li8 Pr7'
_chemical_formula_weight         1767.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.8879(18)
_cell_length_b                   33.486(9)
_cell_length_c                   4.4376(12)
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.86
_cell_measurement_theta_min      2.43
_cell_volume                     1023.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0284
_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            6770
_diffrn_reflns_theta_full        27.86
_diffrn_reflns_theta_max         27.86
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    30.702
_exptl_absorpt_correction_T_max  0.3731
_exptl_absorpt_correction_T_min  0.2293
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    5.736
_exptl_crystal_description       block
_exptl_crystal_F_000             1514
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.557
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.258
_refine_ls_extinction_coef       0.00197(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         754
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0233
_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)+(0.0200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0516
_reflns_number_gt                647
_reflns_number_total             754
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300566x_si_002_3.cif
_cod_data_source_block           III
_cod_database_code               4329499
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
Pr1 Pr 0.0000 0.160588(16) 0.5000 0.00815(16) Uani 1 4 d S
Pr2 Pr 0.0000 0.279031(15) 0.5000 0.00688(15) Uani 1 4 d S
Pr3 Pr 0.0000 0.442279(15) 0.0000 0.00784(15) Uani 1 4 d S
Pr4 Pr 0.0000 0.0000 0.0000 0.00739(18) Uani 1 8 d S
Ge1 Ge 0.18172(10) 0.21567(2) 0.0000 0.00795(19) Uani 1 2 d S
Ge2 Ge 0.0000 0.37316(3) 0.5000 0.0090(2) Uani 1 4 d S
Ge3 Ge 0.0000 0.09397(3) 0.0000 0.0091(2) Uani 1 4 d S
Ge4 Ge 0.31647(14) 0.0000 0.5000 0.0077(2) Uani 1 4 d S
Li1 Li 0.1869(16) 0.0750(3) 0.5000 0.008(2) Uiso 1 2 d S
Li2 Li 0.3135(17) 0.1442(4) 0.0000 0.013(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'
Pr Pr -0.2180 2.8214 '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
Li1 Pr1 Li1 48.4(4) . 3_556
Li1 Pr1 Li2 63.9(2) . .
Li1 Pr1 Li2 97.0(3) 3_556 .
Li1 Pr1 Li2 97.0(3) . 3
Li1 Pr1 Li2 63.9(2) 3_556 3
Li2 Pr1 Li2 86.7(3) . 3
Li1 Pr1 Li2 63.9(2) . 1_556
Li1 Pr1 Li2 97.0(3) 3_556 1_556
Li2 Pr1 Li2 89.8(3) . 1_556
Li2 Pr1 Li2 159.9(4) 3 1_556
Li1 Pr1 Li2 97.0(3) . 3_556
Li1 Pr1 Li2 63.9(2) 3_556 3_556
Li2 Pr1 Li2 159.9(4) . 3_556
Li2 Pr1 Li2 89.8(3) 3 3_556
Li2 Pr1 Li2 86.7(3) 1_556 3_556
Li1 Pr1 Ge1 111.84(14) . .
Li1 Pr1 Ge1 134.27(4) 3_556 .
Li2 Pr1 Ge1 48.0(2) . .
Li2 Pr1 Ge1 82.97(17) 3 .
Li2 Pr1 Ge1 109.07(19) 1_556 .
Li2 Pr1 Ge1 150.8(2) 3_556 .
Li1 Pr1 Ge1 111.84(14) . 1_556
Li1 Pr1 Ge1 134.27(4) 3_556 1_556
Li2 Pr1 Ge1 109.07(19) . 1_556
Li2 Pr1 Ge1 150.8(2) 3 1_556
Li2 Pr1 Ge1 48.0(2) 1_556 1_556
Li2 Pr1 Ge1 82.97(17) 3_556 1_556
Ge1 Pr1 Ge1 89.73(3) . 1_556
Li1 Pr1 Ge1 134.27(4) . 3_556
Li1 Pr1 Ge1 111.84(14) 3_556 3_556
Li2 Pr1 Ge1 150.8(2) . 3_556
Li2 Pr1 Ge1 109.07(19) 3 3_556
Li2 Pr1 Ge1 82.97(17) 1_556 3_556
Li2 Pr1 Ge1 48.0(2) 3_556 3_556
Ge1 Pr1 Ge1 108.18(3) . 3_556
Ge1 Pr1 Ge1 46.90(3) 1_556 3_556
Li1 Pr1 Ge1 134.27(4) . 3
Li1 Pr1 Ge1 111.84(14) 3_556 3
Li2 Pr1 Ge1 82.97(17) . 3
Li2 Pr1 Ge1 48.0(2) 3 3
Li2 Pr1 Ge1 150.8(2) 1_556 3
Li2 Pr1 Ge1 109.07(19) 3_556 3
Ge1 Pr1 Ge1 46.90(3) . 3
Ge1 Pr1 Ge1 108.18(3) 1_556 3
Ge1 Pr1 Ge1 89.73(3) 3_556 3
Li1 Pr1 Ge3 49.70(8) . .
Li1 Pr1 Ge3 49.70(8) 3_556 .
Li2 Pr1 Ge3 51.6(2) . .
Li2 Pr1 Ge3 51.6(2) 3 .
Li2 Pr1 Ge3 111.97(19) 1_556 .
Li2 Pr1 Ge3 111.97(19) 3_556 .
Ge1 Pr1 Ge3 85.31(2) . .
Ge1 Pr1 Ge3 155.967(16) 1_556 .
Ge1 Pr1 Ge3 155.967(16) 3_556 .
Ge1 Pr1 Ge3 85.32(2) 3 .
Li1 Pr1 Ge3 49.70(8) . 1_556
Li1 Pr1 Ge3 49.70(8) 3_556 1_556
Li2 Pr1 Ge3 111.97(19) . 1_556
Li2 Pr1 Ge3 111.97(19) 3 1_556
Li2 Pr1 Ge3 51.6(2) 1_556 1_556
Li2 Pr1 Ge3 51.6(2) 3_556 1_556
Ge1 Pr1 Ge3 155.967(15) . 1_556
Ge1 Pr1 Ge3 85.32(2) 1_556 1_556
Ge1 Pr1 Ge3 85.32(2) 3_556 1_556
Ge1 Pr1 Ge3 155.967(16) 3 1_556
Ge3 Pr1 Ge3 89.69(4) . 1_556
Ge1 Pr2 Ge1 173.49(3) 13_556 15_455
Ge1 Pr2 Ge1 89.13(3) 13_556 15_456
Ge1 Pr2 Ge1 90.50(3) 15_455 15_456
Ge1 Pr2 Ge1 90.50(3) 13_556 13
Ge1 Pr2 Ge1 89.13(3) 15_455 13
Ge1 Pr2 Ge1 173.49(3) 15_456 13
Ge1 Pr2 Ge2 86.747(16) 13_556 .
Ge1 Pr2 Ge2 86.747(16) 15_455 .
Ge1 Pr2 Ge2 86.747(16) 15_456 .
Ge1 Pr2 Ge2 86.747(16) 13 .
Ge1 Pr2 Ge1 140.95(2) 13_556 3
Ge1 Pr2 Ge1 45.26(3) 15_455 3
Ge1 Pr2 Ge1 104.282(19) 15_456 3
Ge1 Pr2 Ge1 79.97(2) 13 3
Ge2 Pr2 Ge1 129.787(15) . 3
Ge1 Pr2 Ge1 79.97(2) 13_556 3_556
Ge1 Pr2 Ge1 104.282(19) 15_455 3_556
Ge1 Pr2 Ge1 45.26(3) 15_456 3_556
Ge1 Pr2 Ge1 140.95(2) 13 3_556
Ge2 Pr2 Ge1 129.787(15) . 3_556
Ge1 Pr2 Ge1 84.02(3) 3 3_556
Ge1 Pr2 Ge1 45.26(3) 13_556 1_556
Ge1 Pr2 Ge1 140.95(2) 15_455 1_556
Ge1 Pr2 Ge1 79.97(2) 15_456 1_556
Ge1 Pr2 Ge1 104.282(19) 13 1_556
Ge2 Pr2 Ge1 129.787(15) . 1_556
Ge1 Pr2 Ge1 100.43(3) 3 1_556
Ge1 Pr2 Ge1 44.36(3) 3_556 1_556
Ge1 Pr2 Ge1 104.282(19) 13_556 .
Ge1 Pr2 Ge1 79.97(2) 15_455 .
Ge1 Pr2 Ge1 140.95(2) 15_456 .
Ge1 Pr2 Ge1 45.26(3) 13 .
Ge2 Pr2 Ge1 129.787(15) . .
Ge1 Pr2 Ge1 44.36(3) 3 .
Ge1 Pr2 Ge1 100.43(3) 3_556 .
Ge1 Pr2 Ge1 84.02(3) 1_556 .
Ge1 Pr2 Li2 43.73(17) 13_556 13_556
Ge1 Pr2 Li2 129.96(17) 15_455 13_556
Ge1 Pr2 Li2 76.94(15) 15_456 13_556
Ge1 Pr2 Li2 98.37(14) 13 13_556
Ge2 Pr2 Li2 44.94(15) . 13_556
Ge1 Pr2 Li2 174.70(14) 3 13_556
Ge1 Pr2 Li2 100.23(12) 3_556 13_556
Ge1 Pr2 Li2 84.85(15) 1_556 13_556
Ge1 Pr2 Li2 136.76(18) . 13_556
Ge1 Pr2 Li2 76.94(15) 13_556 15_456
Ge1 Pr2 Li2 98.37(14) 15_455 15_456
Ge1 Pr2 Li2 43.73(17) 15_456 15_456
Ge1 Pr2 Li2 129.96(17) 13 15_456
Ge2 Pr2 Li2 44.94(15) . 15_456
Ge1 Pr2 Li2 136.76(18) 3 15_456
Ge1 Pr2 Li2 84.85(15) 3_556 15_456
Ge1 Pr2 Li2 100.23(12) 1_556 15_456
Ge1 Pr2 Li2 174.70(14) . 15_456
Li2 Pr2 Li2 41.5(4) 13_556 15_456
Ge1 Pr2 Li2 129.96(17) 13_556 15_455
Ge1 Pr2 Li2 43.73(17) 15_455 15_455
Ge1 Pr2 Li2 98.37(14) 15_456 15_455
Ge1 Pr2 Li2 76.94(15) 13 15_455
Ge2 Pr2 Li2 44.94(15) . 15_455
Ge1 Pr2 Li2 84.85(15) 3 15_455
Ge1 Pr2 Li2 136.76(18) 3_556 15_455
Ge1 Pr2 Li2 174.70(14) 1_556 15_455
Ge1 Pr2 Li2 100.23(12) . 15_455
Li2 Pr2 Li2 89.9(3) 13_556 15_455
Li2 Pr2 Li2 75.4(2) 15_456 15_455
Li1 Pr3 Li1 158.8(4) 15_454 13_556
Li1 Pr3 Li1 89.6(3) 15_454 15_455
Li1 Pr3 Li1 86.5(3) 13_556 15_455
Li1 Pr3 Li1 86.5(3) 15_454 13
Li1 Pr3 Li1 89.6(3) 13_556 13
Li1 Pr3 Li1 158.8(4) 15_455 13
Li1 Pr3 Li2 63.5(2) 15_454 15_455
Li1 Pr3 Li2 96.3(3) 13_556 15_455
Li1 Pr3 Li2 63.5(2) 15_455 15_455
Li1 Pr3 Li2 96.3(3) 13 15_455
Li1 Pr3 Li2 96.3(3) 15_454 13
Li1 Pr3 Li2 63.5(2) 13_556 13
Li1 Pr3 Li2 96.3(3) 15_455 13
Li1 Pr3 Li2 63.5(2) 13 13
Li2 Pr3 Li2 47.8(4) 15_455 13
Li1 Pr3 Ge4 150.4(2) 15_454 13_556
Li1 Pr3 Ge4 49.6(2) 13_556 13_556
Li1 Pr3 Ge4 83.86(16) 15_455 13_556
Li1 Pr3 Ge4 109.20(18) 13 13_556
Li2 Pr3 Ge4 135.37(4) 15_455 13_556
Li2 Pr3 Ge4 113.06(14) 13 13_556
Li1 Pr3 Ge4 109.20(18) 15_454 5_455
Li1 Pr3 Ge4 83.86(16) 13_556 5_455
Li1 Pr3 Ge4 49.6(2) 15_455 5_455
Li1 Pr3 Ge4 150.4(2) 13 5_455
Li2 Pr3 Ge4 113.06(14) 15_455 5_455
Li2 Pr3 Ge4 135.37(4) 13 5_455
Ge4 Pr3 Ge4 46.50(4) 13_556 5_455
Li1 Pr3 Ge4 49.6(2) 15_454 5_454
Li1 Pr3 Ge4 150.4(2) 13_556 5_454
Li1 Pr3 Ge4 109.20(18) 15_455 5_454
Li1 Pr3 Ge4 83.86(16) 13 5_454
Li2 Pr3 Ge4 113.06(14) 15_455 5_454
Li2 Pr3 Ge4 135.37(4) 13 5_454
Ge4 Pr3 Ge4 105.76(3) 13_556 5_454
Ge4 Pr3 Ge4 87.70(3) 5_455 5_454
Li1 Pr3 Ge4 83.86(16) 15_454 13
Li1 Pr3 Ge4 109.20(18) 13_556 13
Li1 Pr3 Ge4 150.4(2) 15_455 13
Li1 Pr3 Ge4 49.6(2) 13 13
Li2 Pr3 Ge4 135.37(4) 15_455 13
Li2 Pr3 Ge4 113.06(14) 13 13
Ge4 Pr3 Ge4 87.70(3) 13_556 13
Ge4 Pr3 Ge4 105.76(3) 5_455 13
Ge4 Pr3 Ge4 46.50(4) 5_454 13
Li1 Pr3 Ge2 110.80(19) 15_454 .
Li1 Pr3 Ge2 51.7(2) 13_556 .
Li1 Pr3 Ge2 51.7(2) 15_455 .
Li1 Pr3 Ge2 110.80(19) 13 .
Li2 Pr3 Ge2 48.71(8) 15_455 .
Li2 Pr3 Ge2 48.71(8) 13 .
Ge4 Pr3 Ge2 87.49(2) 13_556 .
Ge4 Pr3 Ge2 87.49(2) 5_455 .
Ge4 Pr3 Ge2 156.219(18) 5_454 .
Ge4 Pr3 Ge2 156.219(18) 13 .
Li1 Pr3 Ge2 51.7(2) 15_454 1_554
Li1 Pr3 Ge2 110.80(19) 13_556 1_554
Li1 Pr3 Ge2 110.80(19) 15_455 1_554
Li1 Pr3 Ge2 51.7(2) 13 1_554
Li2 Pr3 Ge2 48.71(8) 15_455 1_554
Li2 Pr3 Ge2 48.71(8) 13 1_554
Ge4 Pr3 Ge2 156.219(18) 13_556 1_554
Ge4 Pr3 Ge2 156.219(18) 5_455 1_554
Ge4 Pr3 Ge2 87.49(2) 5_454 1_554
Ge4 Pr3 Ge2 87.49(2) 13 1_554
Ge2 Pr3 Ge2 87.58(3) . 1_554
Ge4 Pr4 Ge4 91.02(3) 9 9_556
Ge4 Pr4 Ge4 88.98(3) 9 1_554
Ge4 Pr4 Ge4 180.0 9_556 1_554
Ge4 Pr4 Ge4 180.0 9 .
Ge4 Pr4 Ge4 88.98(3) 9_556 .
Ge4 Pr4 Ge4 91.02(3) 1_554 .
Ge4 Pr4 Ge3 90.0 9 9
Ge4 Pr4 Ge3 90.0 9_556 9
Ge4 Pr4 Ge3 90.0 1_554 9
Ge4 Pr4 Ge3 90.0 . 9
Ge4 Pr4 Ge3 90.0 9 .
Ge4 Pr4 Ge3 90.0 9_556 .
Ge4 Pr4 Ge3 90.0 1_554 .
Ge4 Pr4 Ge3 90.0 . .
Ge3 Pr4 Ge3 180.0 9 .
Ge4 Pr4 Li1 46.20(17) 9 9
Ge4 Pr4 Li1 100.93(14) 9_556 9
Ge4 Pr4 Li1 79.07(14) 1_554 9
Ge4 Pr4 Li1 133.80(17) . 9
Ge3 Pr4 Li1 45.61(15) 9 9
Ge3 Pr4 Li1 134.39(15) . 9
Ge4 Pr4 Li1 79.07(14) 9 11_554
Ge4 Pr4 Li1 133.80(17) 9_556 11_554
Ge4 Pr4 Li1 46.20(17) 1_554 11_554
Ge4 Pr4 Li1 100.93(14) . 11_554
Ge3 Pr4 Li1 45.61(15) 9 11_554
Ge3 Pr4 Li1 134.39(15) . 11_554
Li1 Pr4 Li1 42.0(3) 9 11_554
Ge4 Pr4 Li1 100.93(14) 9 3_556
Ge4 Pr4 Li1 46.20(17) 9_556 3_556
Ge4 Pr4 Li1 133.80(17) 1_554 3_556
Ge4 Pr4 Li1 79.07(14) . 3_556
Ge3 Pr4 Li1 134.39(15) 9 3_556
Ge3 Pr4 Li1 45.61(15) . 3_556
Li1 Pr4 Li1 138.0(3) 9 3_556
Li1 Pr4 Li1 180.0(4) 11_554 3_556
Ge4 Pr4 Li1 133.80(17) 9 11
Ge4 Pr4 Li1 79.07(14) 9_556 11
Ge4 Pr4 Li1 100.93(14) 1_554 11
Ge4 Pr4 Li1 46.20(17) . 11
Ge3 Pr4 Li1 45.61(15) 9 11
Ge3 Pr4 Li1 134.39(15) . 11
Li1 Pr4 Li1 91.2(3) 9 11
Li1 Pr4 Li1 76.4(2) 11_554 11
Li1 Pr4 Li1 103.6(2) 3_556 11
Ge4 Pr4 Li1 46.20(17) 9 3
Ge4 Pr4 Li1 100.93(14) 9_556 3
Ge4 Pr4 Li1 79.07(14) 1_554 3
Ge4 Pr4 Li1 133.80(17) . 3
Ge3 Pr4 Li1 134.39(15) 9 3
Ge3 Pr4 Li1 45.61(15) . 3
Li1 Pr4 Li1 88.8(3) 9 3
Li1 Pr4 Li1 103.6(2) 11_554 3
Li1 Pr4 Li1 76.4(2) 3_556 3
Li1 Pr4 Li1 180.0(3) 11 3
Ge4 Pr4 Li1 100.93(14) 9 9_556
Ge4 Pr4 Li1 46.20(17) 9_556 9_556
Ge4 Pr4 Li1 133.80(17) 1_554 9_556
Ge4 Pr4 Li1 79.07(14) . 9_556
Ge3 Pr4 Li1 45.61(15) 9 9_556
Ge3 Pr4 Li1 134.39(15) . 9_556
Li1 Pr4 Li1 76.4(2) 9 9_556
Li1 Pr4 Li1 91.2(3) 11_554 9_556
Li1 Pr4 Li1 88.8(3) 3_556 9_556
Li1 Pr4 Li1 42.0(3) 11 9_556
Li1 Pr4 Li1 138.0(3) 3 9_556
Ge1 Ge1 Ge1 112.25(3) 13 3
Ge1 Ge1 Li2 137.0(3) 13 .
Ge1 Ge1 Li2 110.8(3) 3 .
Ge1 Ge1 Pr2 71.44(2) 13 13_556
Ge1 Ge1 Pr2 134.565(14) 3 13_556
Li2 Ge1 Pr2 78.71(18) . 13_556
Ge1 Ge1 Pr2 71.44(2) 13 13
Ge1 Ge1 Pr2 134.565(14) 3 13
Li2 Ge1 Pr2 78.71(18) . 13
Pr2 Ge1 Pr2 90.50(3) 13_556 13
Ge1 Ge1 Pr1 133.907(16) 13 1_554
Ge1 Ge1 Pr1 66.550(14) 3 1_554
Li2 Ge1 Pr1 65.97(17) . 1_554
Pr2 Ge1 Pr1 144.45(3) 13_556 1_554
Pr2 Ge1 Pr1 79.136(19) 13 1_554
Ge1 Ge1 Pr1 133.909(17) 13 .
Ge1 Ge1 Pr1 66.550(14) 3 .
Li2 Ge1 Pr1 65.97(17) . .
Pr2 Ge1 Pr1 79.136(18) 13_556 .
Pr2 Ge1 Pr1 144.44(3) 13 .
Pr1 Ge1 Pr1 89.73(3) 1_554 .
Ge1 Ge1 Pr2 63.30(3) 13 1_554
Ge1 Ge1 Pr2 67.817(13) 3 1_554
Li2 Ge1 Pr2 137.07(5) . 1_554
Pr2 Ge1 Pr2 134.74(3) 13_556 1_554
Pr2 Ge1 Pr2 75.717(18) 13 1_554
Pr1 Ge1 Pr2 75.69(2) 1_554 1_554
Pr1 Ge1 Pr2 134.20(3) . 1_554
Ge1 Ge1 Pr2 63.30(3) 13 .
Ge1 Ge1 Pr2 67.817(13) 3 .
Li2 Ge1 Pr2 137.07(5) . .
Pr2 Ge1 Pr2 75.717(18) 13_556 .
Pr2 Ge1 Pr2 134.74(3) 13 .
Pr1 Ge1 Pr2 134.20(3) 1_554 .
Pr1 Ge1 Pr2 75.70(2) . .
Pr2 Ge1 Pr2 84.02(3) 1_554 .
Li2 Ge2 Li2 154.4(5) 15_455 13_556
Li2 Ge2 Li2 58.5(4) 15_455 13
Li2 Ge2 Li2 115.1(4) 13_556 13
Li2 Ge2 Li2 115.1(4) 15_455 15_456
Li2 Ge2 Li2 58.5(4) 13_556 15_456
Li2 Ge2 Li2 154.4(5) 13 15_456
Li2 Ge2 Li1 121.3(2) 15_455 13_556
Li2 Ge2 Li1 76.0(3) 13_556 13_556
Li2 Ge2 Li1 76.0(3) 13 13_556
Li2 Ge2 Li1 121.3(2) 15_456 13_556
Li2 Ge2 Li1 76.0(3) 15_455 15_455
Li2 Ge2 Li1 121.3(2) 13_556 15_455
Li2 Ge2 Li1 121.3(2) 13 15_455
Li2 Ge2 Li1 76.0(3) 15_456 15_455
Li1 Ge2 Li1 102.3(5) 13_556 15_455
Li2 Ge2 Pr2 77.2(3) 15_455 .
Li2 Ge2 Pr2 77.2(3) 13_556 .
Li2 Ge2 Pr2 77.2(3) 13 .
Li2 Ge2 Pr2 77.2(3) 15_456 .
Li1 Ge2 Pr2 128.8(2) 13_556 .
Li1 Ge2 Pr2 128.8(2) 15_455 .
Li2 Ge2 Pr3 138.1(3) 15_455 1_556
Li2 Ge2 Pr3 64.9(2) 13_556 1_556
Li2 Ge2 Pr3 138.1(3) 13 1_556
Li2 Ge2 Pr3 64.9(2) 15_456 1_556
Li1 Ge2 Pr3 63.09(15) 13_556 1_556
Li1 Ge2 Pr3 63.09(15) 15_455 1_556
Pr2 Ge2 Pr3 136.207(17) . 1_556
Li2 Ge2 Pr3 64.9(2) 15_455 .
Li2 Ge2 Pr3 138.1(3) 13_556 .
Li2 Ge2 Pr3 64.9(2) 13 .
Li2 Ge2 Pr3 138.1(3) 15_456 .
Li1 Ge2 Pr3 63.09(15) 13_556 .
Li1 Ge2 Pr3 63.09(15) 15_455 .
Pr2 Ge2 Pr3 136.208(17) . .
Pr3 Ge2 Pr3 87.59(3) 1_556 .
Li1 Ge3 Li1 152.2(5) . 3
Li1 Ge3 Li1 114.2(4) . 1_554
Li1 Ge3 Li1 58.3(4) 3 1_554
Li1 Ge3 Li1 58.3(4) . 3_556
Li1 Ge3 Li1 114.2(4) 3 3_556
Li1 Ge3 Li1 152.2(5) 1_554 3_556
Li1 Ge3 Li2 76.3(3) . .
Li1 Ge3 Li2 122.1(2) 3 .
Li1 Ge3 Li2 76.3(3) 1_554 .
Li1 Ge3 Li2 122.1(2) 3_556 .
Li1 Ge3 Li2 122.1(2) . 3
Li1 Ge3 Li2 76.3(3) 3 3
Li1 Ge3 Li2 122.1(2) 1_554 3
Li1 Ge3 Li2 76.3(3) 3_556 3
Li2 Ge3 Li2 104.1(5) . 3
Li1 Ge3 Pr1 65.1(2) . .
Li1 Ge3 Pr1 139.7(3) 3 .
Li1 Ge3 Pr1 139.7(3) 1_554 .
Li1 Ge3 Pr1 65.1(2) 3_556 .
Li2 Ge3 Pr1 64.16(16) . .
Li2 Ge3 Pr1 64.16(16) 3 .
Li1 Ge3 Pr1 139.7(3) . 1_554
Li1 Ge3 Pr1 65.1(2) 3 1_554
Li1 Ge3 Pr1 65.1(2) 1_554 1_554
Li1 Ge3 Pr1 139.7(3) 3_556 1_554
Li2 Ge3 Pr1 64.16(16) . 1_554
Li2 Ge3 Pr1 64.16(16) 3 1_554
Pr1 Ge3 Pr1 89.69(4) . 1_554
Li1 Ge3 Pr4 76.1(3) . .
Li1 Ge3 Pr4 76.1(3) 3 .
Li1 Ge3 Pr4 76.1(3) 1_554 .
Li1 Ge3 Pr4 76.1(3) 3_556 .
Li2 Ge3 Pr4 127.9(3) . .
Li2 Ge3 Pr4 127.9(3) 3 .
Pr1 Ge3 Pr4 135.153(18) . .
Pr1 Ge3 Pr4 135.154(18) 1_554 .
Ge4 Ge4 Li1 109.6(2) 9_656 11
Ge4 Ge4 Li1 109.6(2) 9_656 .
Li1 Ge4 Li1 140.9(5) 11 .
Ge4 Ge4 Pr4 134.492(17) 9_656 .
Li1 Ge4 Pr4 76.43(17) 11 .
Li1 Ge4 Pr4 76.43(17) . .
Ge4 Ge4 Pr4 134.492(17) 9_656 1_556
Li1 Ge4 Pr4 76.43(17) 11 1_556
Li1 Ge4 Pr4 76.43(17) . 1_556
Pr4 Ge4 Pr4 91.02(3) . 1_556
Ge4 Ge4 Pr3 66.752(18) 9_656 13_556
Li1 Ge4 Pr3 134.50(6) 11 13_556
Li1 Ge4 Pr3 64.12(16) . 13_556
Pr4 Ge4 Pr3 140.427(18) . 13_556
Pr4 Ge4 Pr3 77.433(17) 1_556 13_556
Ge4 Ge4 Pr3 66.752(18) 9_656 5_545
Li1 Ge4 Pr3 64.12(16) 11 5_545
Li1 Ge4 Pr3 134.50(6) . 5_545
Pr4 Ge4 Pr3 77.433(17) . 5_545
Pr4 Ge4 Pr3 140.427(19) 1_556 5_545
Pr3 Ge4 Pr3 133.50(4) 13_556 5_545
Ge4 Ge4 Pr3 66.752(18) 9_656 5_546
Li1 Ge4 Pr3 64.12(16) 11 5_546
Li1 Ge4 Pr3 134.50(6) . 5_546
Pr4 Ge4 Pr3 140.427(19) . 5_546
Pr4 Ge4 Pr3 77.433(17) 1_556 5_546
Pr3 Ge4 Pr3 74.25(3) 13_556 5_546
Pr3 Ge4 Pr3 87.70(3) 5_545 5_546
Ge4 Ge4 Pr3 66.752(18) 9_656 13
Li1 Ge4 Pr3 134.50(6) 11 13
Li1 Ge4 Pr3 64.12(16) . 13
Pr4 Ge4 Pr3 77.433(17) . 13
Pr4 Ge4 Pr3 140.427(19) 1_556 13
Pr3 Ge4 Pr3 87.70(3) 13_556 13
Pr3 Ge4 Pr3 74.25(3) 5_545 13
Pr3 Ge4 Pr3 133.50(4) 5_546 13
Li1 Li1 Ge3 60.9(2) 3_556 1_556
Li1 Li1 Ge3 60.9(2) 3_556 .
Ge3 Li1 Ge3 114.2(4) 1_556 .
Li1 Li1 Ge4 109.6(2) 3_556 .
Ge3 Li1 Ge4 112.9(3) 1_556 .
Ge3 Li1 Ge4 112.9(3) . .
Li1 Li1 Ge2 141.2(2) 3_556 13_556
Ge3 Li1 Ge2 103.2(3) 1_556 13_556
Ge3 Li1 Ge2 103.2(3) . 13_556
Ge4 Li1 Ge2 109.3(4) . 13_556
Li1 Li1 Pr1 65.8(2) 3_556 .
Ge3 Li1 Pr1 65.2(2) 1_556 .
Ge3 Li1 Pr1 65.2(2) . .
Ge4 Li1 Pr1 175.4(4) . .
Ge2 Li1 Pr1 75.4(3) 13_556 .
Li1 Li1 Pr3 133.25(15) 3_556 13_556
Ge3 Li1 Pr3 77.65(7) 1_556 13_556
Ge3 Li1 Pr3 165.9(4) . 13_556
Ge4 Li1 Pr3 66.3(2) . 13_556
Ge2 Li1 Pr3 65.3(2) 13_556 13_556
Pr1 Li1 Pr3 116.6(3) . 13_556
Li1 Li1 Pr3 133.25(15) 3_556 13
Ge3 Li1 Pr3 165.9(4) 1_556 13
Ge3 Li1 Pr3 77.65(7) . 13
Ge4 Li1 Pr3 66.3(2) . 13
Ge2 Li1 Pr3 65.3(2) 13_556 13
Pr1 Li1 Pr3 116.6(3) . 13
Pr3 Li1 Pr3 89.6(3) 13_556 13
Li1 Li1 Li2 105.2(3) 3_556 .
Ge3 Li1 Li2 121.4(4) 1_556 .
Ge3 Li1 Li2 53.1(2) . .
Ge4 Li1 Li2 124.7(3) . .
Ge2 Li1 Li2 50.1(2) 13_556 .
Pr1 Li1 Li2 58.1(3) . .
Pr3 Li1 Li2 114.8(4) 13_556 .
Pr3 Li1 Li2 58.5(2) 13 .
Li1 Li1 Li2 105.2(3) 3_556 1_556
Ge3 Li1 Li2 53.1(2) 1_556 1_556
Ge3 Li1 Li2 121.4(4) . 1_556
Ge4 Li1 Li2 124.7(3) . 1_556
Ge2 Li1 Li2 50.1(2) 13_556 1_556
Pr1 Li1 Li2 58.1(3) . 1_556
Pr3 Li1 Li2 58.5(2) 13_556 1_556
Pr3 Li1 Li2 114.8(4) 13 1_556
Li2 Li1 Li2 83.7(4) . 1_556
Li1 Li1 Pr4 68.99(17) 3_556 .
Ge3 Li1 Pr4 120.8(4) 1_556 .
Ge3 Li1 Pr4 58.30(15) . .
Ge4 Li1 Pr4 57.38(19) . .
Ge2 Li1 Pr4 135.9(2) 13_556 .
Pr1 Li1 Pr4 119.4(3) . .
Pr3 Li1 Pr4 123.6(3) 13_556 .
Pr3 Li1 Pr4 71.42(14) 13 .
Li2 Li1 Pr4 99.75(14) . .
Li2 Li1 Pr4 173.8(4) 1_556 .
Li1 Li1 Pr4 68.99(17) 3_556 1_556
Ge3 Li1 Pr4 58.30(15) 1_556 1_556
Ge3 Li1 Pr4 120.8(4) . 1_556
Ge4 Li1 Pr4 57.38(19) . 1_556
Ge2 Li1 Pr4 135.9(2) 13_556 1_556
Pr1 Li1 Pr4 119.4(3) . 1_556
Pr3 Li1 Pr4 71.42(14) 13_556 1_556
Pr3 Li1 Pr4 123.6(3) 13 1_556
Li2 Li1 Pr4 173.8(4) . 1_556
Li2 Li1 Pr4 99.75(14) 1_556 1_556
Pr4 Li1 Pr4 76.4(2) . 1_556
Ge1 Li2 Li2 110.8(3) . 3_655
Ge1 Li2 Ge2 112.4(3) . 13_556
Li2 Li2 Ge2 60.7(2) 3_655 13_556
Ge1 Li2 Ge2 112.4(3) . 13
Li2 Li2 Ge2 60.7(2) 3_655 13
Ge2 Li2 Ge2 115.1(4) 13_556 13
Ge1 Li2 Ge3 107.2(4) . .
Li2 Li2 Ge3 142.1(3) 3_655 .
Ge2 Li2 Ge3 104.4(3) 13_556 .
Ge2 Li2 Ge3 104.4(3) 13 .
Ge1 Li2 Pr1 66.0(2) . .
Li2 Li2 Pr1 133.37(16) 3_655 .
Ge2 Li2 Pr1 77.21(7) 13_556 .
Ge2 Li2 Pr1 165.9(4) 13 .
Ge3 Li2 Pr1 64.2(2) . .
Ge1 Li2 Pr1 66.0(2) . 1_554
Li2 Li2 Pr1 133.37(16) 3_655 1_554
Ge2 Li2 Pr1 165.9(4) 13_556 1_554
Ge2 Li2 Pr1 77.21(7) 13 1_554
Ge3 Li2 Pr1 64.2(2) . 1_554
Pr1 Li2 Pr1 89.8(3) . 1_554
Ge1 Li2 Pr3 176.9(5) . 13
Li2 Li2 Pr3 66.1(2) 3_655 13
Ge2 Li2 Pr3 66.4(2) 13_556 13
Ge2 Li2 Pr3 66.4(2) 13 13
Ge3 Li2 Pr3 76.0(3) . 13
Pr1 Li2 Pr3 116.0(3) . 13
Pr1 Li2 Pr3 116.0(3) 1_554 13
Ge1 Li2 Li1 124.0(3) . .
Li2 Li2 Li1 105.2(3) 3_655 .
Ge2 Li2 Li1 53.9(2) 13_556 .
Ge2 Li2 Li1 122.5(5) 13 .
Ge3 Li2 Li1 50.6(2) . .
Pr1 Li2 Li1 58.0(2) . .
Pr1 Li2 Li1 114.3(4) 1_554 .
Pr3 Li2 Li1 57.9(3) 13 .
Ge1 Li2 Li1 124.0(3) . 1_554
Li2 Li2 Li1 105.2(3) 3_655 1_554
Ge2 Li2 Li1 122.5(5) 13_556 1_554
Ge2 Li2 Li1 53.9(2) 13 1_554
Ge3 Li2 Li1 50.5(2) . 1_554
Pr1 Li2 Li1 114.3(4) . 1_554
Pr1 Li2 Li1 58.0(2) 1_554 1_554
Pr3 Li2 Li1 57.9(3) 13 1_554
Li1 Li2 Li1 83.7(4) . 1_554
Ge1 Li2 Pr2 57.6(2) . 13_556
Li2 Li2 Pr2 69.27(18) 3_655 13_556
Ge2 Li2 Pr2 57.86(16) 13_556 13_556
Ge2 Li2 Pr2 120.0(4) 13 13_556
Ge3 Li2 Pr2 135.6(2) . 13_556
Pr1 Li2 Pr2 71.84(15) . 13_556
Pr1 Li2 Pr2 123.4(4) 1_554 13_556
Pr3 Li2 Pr2 120.2(3) 13 13_556
Li1 Li2 Pr2 100.28(14) . 13_556
Li1 Li2 Pr2 173.8(4) 1_554 13_556
Ge1 Li2 Pr2 57.6(2) . 13
Li2 Li2 Pr2 69.27(18) 3_655 13
Ge2 Li2 Pr2 120.0(4) 13_556 13
Ge2 Li2 Pr2 57.86(16) 13 13
Ge3 Li2 Pr2 135.6(2) . 13
Pr1 Li2 Pr2 123.4(4) . 13
Pr1 Li2 Pr2 71.84(15) 1_554 13
Pr3 Li2 Pr2 120.2(3) 13 13
Li1 Li2 Pr2 173.8(4) . 13
Li1 Li2 Pr2 100.28(14) 1_554 13
Pr2 Li2 Pr2 75.4(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
Pr1 Li1 3.142(12) .
Pr1 Li1 3.142(12) 3_556
Pr1 Li2 3.144(8) .
Pr1 Li2 3.144(8) 3
Pr1 Li2 3.144(8) 1_556
Pr1 Li2 3.144(8) 3_556
Pr1 Ge1 3.1452(8) .
Pr1 Ge1 3.1452(8) 1_556
Pr1 Ge1 3.1452(8) 3_556
Pr1 Ge1 3.1452(8) 3
Pr1 Ge3 3.1463(10) .
Pr1 Ge3 3.1463(10) 1_556
Pr2 Ge1 3.1242(8) 13_556
Pr2 Ge1 3.1242(8) 15_455
Pr2 Ge1 3.1242(8) 15_456
Pr2 Ge1 3.1242(8) 13
Pr2 Ge2 3.1521(14) .
Pr2 Ge1 3.3152(8) 3
Pr2 Ge1 3.3152(8) 3_556
Pr2 Ge1 3.3152(8) 1_556
Pr2 Ge1 3.3152(8) .
Pr2 Li2 3.630(10) 13_556
Pr2 Li2 3.630(10) 15_456
Pr2 Li2 3.630(10) 15_455
Pr3 Li1 3.148(8) 15_454
Pr3 Li1 3.148(8) 13_556
Pr3 Li1 3.148(8) 15_455
Pr3 Li1 3.148(8) 13
Pr3 Li2 3.169(12) 15_455
Pr3 Li2 3.169(12) 13
Pr3 Ge4 3.2027(7) 13_556
Pr3 Ge4 3.2027(7) 5_455
Pr3 Ge4 3.2027(7) 5_454
Pr3 Ge4 3.2027(7) 13
Pr3 Ge2 3.2062(10) .
Pr3 Ge2 3.2062(10) 1_554
Pr4 Ge4 3.1104(9) 9
Pr4 Ge4 3.1104(9) 9_556
Pr4 Ge4 3.1104(9) 1_554
Pr4 Ge4 3.1104(9) .
Pr4 Ge3 3.1467(13) 9
Pr4 Ge3 3.1467(13) .
Pr4 Li1 3.590(9) 9
Pr4 Li1 3.590(9) 11_554
Pr4 Li1 3.590(9) 3_556
Pr4 Li1 3.590(9) 11
Pr4 Li1 3.590(9) 3
Pr4 Li1 3.590(9) 9_556
Ge1 Ge1 2.4838(15) 13
Ge1 Ge1 2.5033(15) 3
Ge1 Li2 2.559(12) .
Ge1 Pr2 3.1242(8) 13_556
Ge1 Pr2 3.1242(8) 13
Ge1 Pr1 3.1451(8) 1_554
Ge1 Pr2 3.3152(8) 1_554
Ge2 Li2 2.629(6) 15_455
Ge2 Li2 2.629(6) 13_556
Ge2 Li2 2.629(6) 13
Ge2 Li2 2.629(6) 15_456
Ge2 Li1 2.769(12) 13_556
Ge2 Li1 2.769(12) 15_455
Ge2 Pr3 3.2061(10) 1_556
Ge3 Li1 2.643(6) .
Ge3 Li1 2.643(6) 3
Ge3 Li1 2.643(6) 1_554
Ge3 Li1 2.643(6) 3_556
Ge3 Li2 2.738(12) .
Ge3 Li2 2.738(12) 3
Ge3 Pr1 3.1463(10) 1_554
Ge4 Ge4 2.528(2) 9_656
Ge4 Li1 2.665(12) 11
Ge4 Li1 2.665(12) .
Ge4 Pr4 3.1104(9) 1_556
Ge4 Pr3 3.2027(7) 13_556
Ge4 Pr3 3.2027(7) 5_545
Ge4 Pr3 3.2027(7) 5_546
Ge4 Pr3 3.2027(7) 13
Li1 Li1 2.57(2) 3_556
Li1 Ge3 2.643(6) 1_556
Li1 Ge2 2.768(11) 13_556
Li1 Pr3 3.148(8) 13_556
Li1 Pr3 3.148(8) 13
Li1 Li2 3.325(13) .
Li1 Li2 3.325(13) 1_556
Li1 Pr4 3.590(9) 1_556
Li2 Li2 2.57(2) 3_655
Li2 Ge2 2.629(6) 13_556
Li2 Ge2 2.629(6) 13
Li2 Pr1 3.144(8) 1_554
Li2 Pr3 3.169(12) 13
Li2 Li1 3.325(13) 1_554
Li2 Pr2 3.630(10) 13_556
Li2 Pr2 3.630(10) 13
