#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:03:39 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179522 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/19/4341947.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_4341947
loop_
_publ_author_name
'Henze, Alexander'
'Hlukhyy, Viktor'
'Fässler, Thomas F'
_publ_section_title
;
 Fully and Partially Li-Stuffed Diamond Polytypes with Ag-Ge Structures:
 Li2AgGe and Li2.53AgGe2.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1152
_journal_page_last               1158
_journal_paper_doi               10.1021/ic5025263
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Ag2 Ge2 Li4'
_chemical_formula_weight         388.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_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                120.00
_cell_formula_units_Z            6
_cell_length_a                   4.44170(10)
_cell_length_b                   4.44170(10)
_cell_length_c                   42.7104(17)
_cell_measurement_reflns_used    7012
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      39.0704
_cell_measurement_theta_min      2.8608
_cell_volume                     729.73(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type
;
'Oxford Diffraction Xcalibur3 diffractometer, CCD detector'  
;
_diffrn_measurement_method       'ω and π 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  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0133
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       75
_diffrn_reflns_limit_l_min       -74
_diffrn_reflns_number            11488
_diffrn_reflns_theta_full        39.17
_diffrn_reflns_theta_max         39.17
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    19.971
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54119
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'metallic silver'
_exptl_crystal_density_diffrn    5.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.282
_refine_diff_density_min         -1.411
_refine_diff_density_rms         0.248
_refine_ls_extinction_coef       0.00094(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   1.225
_refine_ls_matrix_type           full
_refine_ls_number_parameters     26
_refine_ls_number_reflns         613
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.225
_refine_ls_R_factor_all          0.0250
_refine_ls_R_factor_gt           0.0210
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0126P)²+6.1333P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0451
_refine_ls_wR_factor_ref         0.0458
_reflns_number_gt                507
_reflns_number_total             613
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5025263_si_002.cif
_cod_data_source_block           Li2AgGe
_cod_depositor_comments
'Adding full bibliography for 4341947--4341948.cif.'
_cod_original_sg_symbol_H-M      R-3m
_cod_database_code               4341947
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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
Ge1 Ge 0.6667 0.3333 0.616482(9) 0.00581(10) Uani 1 6 d S
Ge2 Ge 0.0000 0.0000 0.529574(10) 0.00489(10) Uani 1 6 d S
Ag1 Ag 0.3333 0.6667 0.631954(7) 0.00867(9) Uani 1 6 d S
Ag2 Ag 0.6667 0.3333 0.552940(7) 0.00775(9) Uani 1 6 d S
Li1 Li 0.0000 0.0000 0.59294(19) 0.0110(16) Uani 1 6 d S
Li2 Li 0.3333 0.6667 0.5705(2) 0.0153(19) Uani 1 6 d S
Li3 Li 0.6667 0.3333 0.4919(2) 0.016(2) Uani 1 6 d S
Li4 Li 0.6667 0.3333 0.67840(19) 0.015(2) Uani 1 6 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'
Ag Ag -0.8971 1.1015 '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'
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
Li4 Ge1 Ag1 75.550(11) . .
Li4 Ge1 Ag1 75.548(11) . 1_655
Ag1 Ge1 Ag1 113.991(9) . 1_655
Li4 Ge1 Ag1 75.548(11) . 1_545
Ag1 Ge1 Ag1 113.991(9) . 1_545
Ag1 Ge1 Ag1 113.989(9) 1_655 1_545
Li4 Ge1 Ag2 180.000(1) . .
Ag1 Ge1 Ag2 104.450(11) . .
Ag1 Ge1 Ag2 104.452(11) 1_655 .
Ag1 Ge1 Ag2 104.452(11) 1_545 .
Li4 Ge1 Li1 111.41(16) . .
Ag1 Ge1 Li1 68.92(7) . .
Ag1 Ge1 Li1 173.04(16) 1_655 .
Ag1 Ge1 Li1 68.92(7) 1_545 .
Ag2 Ge1 Li1 68.59(16) . .
Li4 Ge1 Li1 111.41(16) . 1_655
Ag1 Ge1 Li1 173.04(16) . 1_655
Ag1 Ge1 Li1 68.92(7) 1_655 1_655
Ag1 Ge1 Li1 68.92(7) 1_545 1_655
Ag2 Ge1 Li1 68.59(16) . 1_655
Li1 Ge1 Li1 107.47(17) . 1_655
Li4 Ge1 Li1 111.41(16) . 1_665
Ag1 Ge1 Li1 68.92(7) . 1_665
Ag1 Ge1 Li1 68.92(7) 1_655 1_665
Ag1 Ge1 Li1 173.04(16) 1_545 1_665
Ag2 Ge1 Li1 68.59(16) . 1_665
Li1 Ge1 Li1 107.47(17) . 1_665
Li1 Ge1 Li1 107.47(17) 1_655 1_665
Li4 Ge1 Li4 57.36(13) . 25_666
Ag1 Ge1 Li4 57.159(9) . 25_666
Ag1 Ge1 Li4 57.158(9) 1_655 25_666
Ag1 Ge1 Li4 132.91(13) 1_545 25_666
Ag2 Ge1 Li4 122.64(13) . 25_666
Li1 Ge1 Li4 126.08(7) . 25_666
Li1 Ge1 Li4 126.08(7) 1_655 25_666
Li1 Ge1 Li4 54.0(2) 1_665 25_666
Li4 Ge1 Li4 57.36(13) . 25_656
Ag1 Ge1 Li4 132.91(13) . 25_656
Ag1 Ge1 Li4 57.158(9) 1_655 25_656
Ag1 Ge1 Li4 57.158(9) 1_545 25_656
Ag2 Ge1 Li4 122.64(13) . 25_656
Li1 Ge1 Li4 126.08(7) . 25_656
Li1 Ge1 Li4 54.0(2) 1_655 25_656
Li1 Ge1 Li4 126.08(7) 1_665 25_656
Li4 Ge1 Li4 93.65(18) 25_666 25_656
Li4 Ge1 Li4 57.36(13) . 25_556
Ag1 Ge1 Li4 57.159(9) . 25_556
Ag1 Ge1 Li4 132.91(13) 1_655 25_556
Ag1 Ge1 Li4 57.158(9) 1_545 25_556
Ag2 Ge1 Li4 122.64(13) . 25_556
Li1 Ge1 Li4 54.0(2) . 25_556
Li1 Ge1 Li4 126.08(7) 1_655 25_556
Li1 Ge1 Li4 126.08(7) 1_665 25_556
Li4 Ge1 Li4 93.65(18) 25_666 25_556
Li4 Ge1 Li4 93.65(18) 25_656 25_556
Li4 Ge1 Li2 127.47(12) . 1_545
Ag1 Ge1 Li2 122.418(16) . 1_545
Ag1 Ge1 Li2 122.418(16) 1_655 1_545
Ag1 Ge1 Li2 51.92(12) 1_545 1_545
Ag2 Ge1 Li2 52.53(12) . 1_545
Li1 Ge1 Li2 53.74(8) . 1_545
Li1 Ge1 Li2 53.73(8) 1_655 1_545
Li1 Ge1 Li2 121.1(2) 1_665 1_545
Li4 Ge1 Li2 175.17(18) 25_666 1_545
Li4 Ge1 Li2 89.65(12) 25_656 1_545
Li4 Ge1 Li2 89.65(12) 25_556 1_545
Ge2 Ge2 Li1 180.000(1) 19_556 .
Ge2 Ge2 Li3 70.3(2) 19_556 19_556
Li1 Ge2 Li3 109.7(2) . 19_556
Ge2 Ge2 Li3 70.3(2) 19_556 19_666
Li1 Ge2 Li3 109.7(2) . 19_666
Li3 Ge2 Li3 109.3(2) 19_556 19_666
Ge2 Ge2 Li3 70.3(2) 19_556 19_656
Li1 Ge2 Li3 109.7(2) . 19_656
Li3 Ge2 Li3 109.3(2) 19_556 19_656
Li3 Ge2 Li3 109.3(2) 19_666 19_656
Ge2 Ge2 Ag2 111.263(10) 19_556 1_445
Li1 Ge2 Ag2 68.737(10) . 1_445
Li3 Ge2 Ag2 71.53(10) 19_556 1_445
Li3 Ge2 Ag2 178.4(2) 19_666 1_445
Li3 Ge2 Ag2 71.53(10) 19_656 1_445
Ge2 Ge2 Ag2 111.263(10) 19_556 1_455
Li1 Ge2 Ag2 68.737(10) . 1_455
Li3 Ge2 Ag2 71.53(10) 19_556 1_455
Li3 Ge2 Ag2 71.53(10) 19_666 1_455
Li3 Ge2 Ag2 178.4(2) 19_656 1_455
Ag2 Ge2 Ag2 107.621(11) 1_445 1_455
Ge2 Ge2 Ag2 111.264(10) 19_556 .
Li1 Ge2 Ag2 68.736(10) . .
Li3 Ge2 Ag2 178.40(19) 19_556 .
Li3 Ge2 Ag2 71.53(10) 19_666 .
Li3 Ge2 Ag2 71.53(10) 19_656 .
Ag2 Ge2 Ag2 107.621(10) 1_445 .
Ag2 Ge2 Ag2 107.621(10) 1_455 .
Ge2 Ge2 Li3 57.87(16) 19_556 1_445
Li1 Ge2 Li3 122.13(16) . 1_445
Li3 Ge2 Li3 54.71(8) 19_556 1_445
Li3 Ge2 Li3 128.21(4) 19_666 1_445
Li3 Ge2 Li3 54.71(8) 19_656 1_445
Ag2 Ge2 Li3 53.39(16) 1_445 1_445
Ag2 Ge2 Li3 125.977(13) 1_455 1_445
Ag2 Ge2 Li3 125.978(12) . 1_445
Ge2 Ge2 Li3 57.87(16) 19_556 .
Li1 Ge2 Li3 122.13(16) . .
Li3 Ge2 Li3 128.21(4) 19_556 .
Li3 Ge2 Li3 54.71(8) 19_666 .
Li3 Ge2 Li3 54.71(8) 19_656 .
Ag2 Ge2 Li3 125.978(12) 1_445 .
Ag2 Ge2 Li3 125.977(13) 1_455 .
Ag2 Ge2 Li3 53.39(16) . .
Li3 Ge2 Li3 94.3(2) 1_445 .
Ge2 Ge2 Li3 57.88(16) 19_556 1_455
Li1 Ge2 Li3 122.12(16) . 1_455
Li3 Ge2 Li3 54.71(8) 19_556 1_455
Li3 Ge2 Li3 54.71(8) 19_666 1_455
Li3 Ge2 Li3 128.21(4) 19_656 1_455
Ag2 Ge2 Li3 125.977(13) 1_445 1_455
Ag2 Ge2 Li3 53.39(16) 1_455 1_455
Ag2 Ge2 Li3 125.978(13) . 1_455
Li3 Ge2 Li3 94.3(2) 1_445 1_455
Li3 Ge2 Li3 94.3(2) . 1_455
Ge2 Ge2 Li2 124.25(13) 19_556 .
Li1 Ge2 Li2 55.75(13) . .
Li3 Ge2 Li2 125.35(9) 19_556 .
Li3 Ge2 Li2 53.9(2) 19_666 .
Li3 Ge2 Li2 125.35(9) 19_656 .
Ag2 Ge2 Li2 124.48(13) 1_445 .
Ag2 Ge2 Li2 53.895(8) 1_455 .
Ag2 Ge2 Li2 53.895(8) . .
Li3 Ge2 Li2 177.9(2) 1_445 .
Li3 Ge2 Li2 87.09(14) . .
Li3 Ge2 Li2 87.09(14) 1_455 .
Li2 Ag1 Ge1 75.552(11) . 1_455
Li2 Ag1 Ge1 75.552(11) . 1_565
Ge1 Ag1 Ge1 113.992(9) 1_455 1_565
Li2 Ag1 Ge1 75.550(11) . .
Ge1 Ag1 Ge1 113.992(9) 1_455 .
Ge1 Ag1 Ge1 113.992(9) 1_565 .
Li2 Ag1 Li4 110.95(16) . 25_566
Ge1 Ag1 Li4 68.71(7) 1_455 25_566
Ge1 Ag1 Li4 68.71(7) 1_565 25_566
Ge1 Ag1 Li4 173.51(16) . 25_566
Li2 Ag1 Li4 110.95(16) . 25_666
Ge1 Ag1 Li4 173.50(16) 1_455 25_666
Ge1 Ag1 Li4 68.72(7) 1_565 25_666
Ge1 Ag1 Li4 68.72(7) . 25_666
Li4 Ag1 Li4 107.96(17) 25_566 25_666
Li2 Ag1 Li4 110.95(16) . 25_556
Ge1 Ag1 Li4 68.72(7) 1_455 25_556
Ge1 Ag1 Li4 173.50(16) 1_565 25_556
Ge1 Ag1 Li4 68.72(7) . 25_556
Li4 Ag1 Li4 107.96(17) 25_566 25_556
Li4 Ag1 Li4 107.96(16) 25_666 25_556
Li2 Ag1 Ag1 180.0 . 25_566
Ge1 Ag1 Ag1 104.448(11) 1_455 25_566
Ge1 Ag1 Ag1 104.448(11) 1_565 25_566
Ge1 Ag1 Ag1 104.451(11) . 25_566
Li4 Ag1 Ag1 69.05(16) 25_566 25_566
Li4 Ag1 Ag1 69.06(16) 25_666 25_566
Li4 Ag1 Ag1 69.06(16) 25_556 25_566
Li2 Ag1 Li1 56.99(13) . .
Ge1 Ag1 Li1 57.184(10) 1_455 .
Ge1 Ag1 Li1 132.54(13) 1_565 .
Ge1 Ag1 Li1 57.182(10) . .
Li4 Ag1 Li1 125.90(7) 25_566 .
Li4 Ag1 Li1 125.90(7) 25_666 .
Li4 Ag1 Li1 54.0(2) 25_556 .
Ag1 Ag1 Li1 123.01(13) 25_566 .
Li2 Ag1 Li1 56.99(13) . 1_565
Ge1 Ag1 Li1 57.183(10) 1_455 1_565
Ge1 Ag1 Li1 57.183(10) 1_565 1_565
Ge1 Ag1 Li1 132.54(13) . 1_565
Li4 Ag1 Li1 54.0(2) 25_566 1_565
Li4 Ag1 Li1 125.90(7) 25_666 1_565
Li4 Ag1 Li1 125.90(7) 25_556 1_565
Ag1 Ag1 Li1 123.01(13) 25_566 1_565
Li1 Ag1 Li1 93.14(18) . 1_565
Li2 Ag1 Li1 56.99(13) . 1_665
Ge1 Ag1 Li1 132.54(13) 1_455 1_665
Ge1 Ag1 Li1 57.184(10) 1_565 1_665
Ge1 Ag1 Li1 57.183(10) . 1_665
Li4 Ag1 Li1 125.90(7) 25_566 1_665
Li4 Ag1 Li1 54.0(2) 25_666 1_665
Li4 Ag1 Li1 125.90(7) 25_556 1_665
Ag1 Ag1 Li1 123.02(13) 25_566 1_665
Li1 Ag1 Li1 93.14(18) . 1_665
Li1 Ag1 Li1 93.14(18) 1_565 1_665
Li2 Ag1 Li4 127.72(11) . .
Ge1 Ag1 Li4 122.387(16) 1_455 .
Ge1 Ag1 Li4 122.387(17) 1_565 .
Ge1 Ag1 Li4 52.18(11) . .
Li4 Ag1 Li4 121.33(4) 25_566 .
Li4 Ag1 Li4 53.98(8) 25_666 .
Li4 Ag1 Li4 53.98(8) 25_556 .
Ag1 Ag1 Li4 52.28(11) 25_566 .
Li1 Ag1 Li4 90.10(12) . .
Li1 Ag1 Li4 175.29(18) 1_565 .
Li1 Ag1 Li4 90.10(12) 1_665 .
Li3 Ag2 Li2 106.27(18) . .
Li3 Ag2 Li2 106.27(18) . 1_655
Li2 Ag2 Li2 112.48(16) . 1_655
Li3 Ag2 Li2 106.27(18) . 1_545
Li2 Ag2 Li2 112.48(16) . 1_545
Li2 Ag2 Li2 112.47(15) 1_655 1_545
Li3 Ag2 Ge1 180.000(1) . .
Li2 Ag2 Ge1 73.73(18) . .
Li2 Ag2 Ge1 73.73(18) 1_655 .
Li2 Ag2 Ge1 73.73(18) 1_545 .
Li3 Ag2 Ge2 68.739(10) . 1_655
Li2 Ag2 Ge2 175.01(18) . 1_655
Li2 Ag2 Ge2 69.77(9) 1_655 1_655
Li2 Ag2 Ge2 69.77(9) 1_545 1_655
Ge1 Ag2 Ge2 111.261(10) . 1_655
Li3 Ag2 Ge2 68.739(10) . 1_665
Li2 Ag2 Ge2 69.77(9) . 1_665
Li2 Ag2 Ge2 69.77(9) 1_655 1_665
Li2 Ag2 Ge2 175.01(18) 1_545 1_665
Ge1 Ag2 Ge2 111.261(10) . 1_665
Ge2 Ag2 Ge2 107.623(10) 1_655 1_665
Li3 Ag2 Ge2 68.736(10) . .
Li2 Ag2 Ge2 69.77(9) . .
Li2 Ag2 Ge2 175.01(18) 1_655 .
Li2 Ag2 Ge2 69.78(9) 1_545 .
Ge1 Ag2 Ge2 111.264(10) . .
Ge2 Ag2 Ge2 107.622(10) 1_655 .
Ge2 Ag2 Ge2 107.622(10) 1_665 .
Li3 Ag2 Li1 123.67(13) . 1_665
Li2 Ag2 Li1 56.31(9) . 1_665
Li2 Ag2 Li1 56.31(9) 1_655 1_665
Li2 Ag2 Li1 130.1(2) 1_545 1_665
Ge1 Ag2 Li1 56.33(13) . 1_665
Ge2 Ag2 Li1 126.075(9) 1_655 1_665
Ge2 Ag2 Li1 54.93(13) 1_665 1_665
Ge2 Ag2 Li1 126.076(8) . 1_665
Li3 Ag2 Li1 123.67(13) . 1_655
Li2 Ag2 Li1 130.1(2) . 1_655
Li2 Ag2 Li1 56.30(9) 1_655 1_655
Li2 Ag2 Li1 56.30(9) 1_545 1_655
Ge1 Ag2 Li1 56.33(13) . 1_655
Ge2 Ag2 Li1 54.93(13) 1_655 1_655
Ge2 Ag2 Li1 126.075(9) 1_665 1_655
Ge2 Ag2 Li1 126.076(8) . 1_655
Li1 Ag2 Li1 92.23(18) 1_665 1_655
Li3 Ag2 Li1 123.67(13) . .
Li2 Ag2 Li1 56.31(9) . .
Li2 Ag2 Li1 130.1(2) 1_655 .
Li2 Ag2 Li1 56.31(9) 1_545 .
Ge1 Ag2 Li1 56.33(13) . .
Ge2 Ag2 Li1 126.075(8) 1_655 .
Ge2 Ag2 Li1 126.075(8) 1_665 .
Ge2 Ag2 Li1 54.94(13) . .
Li1 Ag2 Li1 92.23(18) 1_665 .
Li1 Ag2 Li1 92.23(18) 1_655 .
Li3 Ag2 Li3 53.26(14) . 19_666
Li2 Ag2 Li3 53.0(2) . 19_666
Li2 Ag2 Li3 123.52(10) 1_655 19_666
Li2 Ag2 Li3 123.52(10) 1_545 19_666
Ge1 Ag2 Li3 126.74(14) . 19_666
Ge2 Ag2 Li3 122.00(14) 1_655 19_666
Ge2 Ag2 Li3 53.820(6) 1_665 19_666
Ge2 Ag2 Li3 53.819(6) . 19_666
Li1 Ag2 Li3 89.90(13) 1_665 19_666
Li1 Ag2 Li3 176.9(2) 1_655 19_666
Li1 Ag2 Li3 89.90(13) . 19_666
Li4 Li1 Ge2 180.000(1) 25_556 .
Li4 Li1 Li2 110.5(2) 25_556 1_445
Ge2 Li1 Li2 69.5(2) . 1_445
Li4 Li1 Li2 110.5(2) 25_556 1_545
Ge2 Li1 Li2 69.5(2) . 1_545
Li2 Li1 Li2 108.4(2) 1_445 1_545
Li4 Li1 Li2 110.5(2) 25_556 .
Ge2 Li1 Li2 69.5(2) . .
Li2 Li1 Li2 108.4(2) 1_445 .
Li2 Li1 Li2 108.4(2) 1_545 .
Li4 Li1 Ge1 68.59(16) 25_556 .
Ge2 Li1 Ge1 111.41(16) . .
Li2 Li1 Ge1 179.1(4) 1_445 .
Li2 Li1 Ge1 72.06(9) 1_545 .
Li2 Li1 Ge1 72.06(9) . .
Li4 Li1 Ge1 68.59(16) 25_556 1_445
Ge2 Li1 Ge1 111.41(16) . 1_445
Li2 Li1 Ge1 72.06(9) 1_445 1_445
Li2 Li1 Ge1 72.06(9) 1_545 1_445
Li2 Li1 Ge1 179.1(4) . 1_445
Ge1 Li1 Ge1 107.47(17) . 1_445
Li4 Li1 Ge1 68.59(16) 25_556 1_455
Ge2 Li1 Ge1 111.41(16) . 1_455
Li2 Li1 Ge1 72.06(9) 1_445 1_455
Li2 Li1 Ge1 179.1(4) 1_545 1_455
Li2 Li1 Ge1 72.06(9) . 1_455
Ge1 Li1 Ge1 107.47(17) . 1_455
Ge1 Li1 Ge1 107.47(17) 1_445 1_455
Li4 Li1 Ag1 56.99(13) 25_556 .
Ge2 Li1 Ag1 123.01(13) . .
Li2 Li1 Ag1 125.71(10) 1_445 .
Li2 Li1 Ag1 125.71(10) 1_545 .
Li2 Li1 Ag1 53.54(17) . .
Ge1 Li1 Ag1 53.90(8) . .
Ge1 Li1 Ag1 125.6(3) 1_445 .
Ge1 Li1 Ag1 53.90(8) 1_455 .
Li4 Li1 Ag1 56.99(13) 25_556 1_445
Ge2 Li1 Ag1 123.01(13) . 1_445
Li2 Li1 Ag1 53.54(17) 1_445 1_445
Li2 Li1 Ag1 125.71(10) 1_545 1_445
Li2 Li1 Ag1 125.71(10) . 1_445
Ge1 Li1 Ag1 125.6(3) . 1_445
Ge1 Li1 Ag1 53.90(8) 1_445 1_445
Ge1 Li1 Ag1 53.90(8) 1_455 1_445
Ag1 Li1 Ag1 93.14(18) . 1_445
Li4 Li1 Ag1 56.99(13) 25_556 1_545
Ge2 Li1 Ag1 123.01(13) . 1_545
Li2 Li1 Ag1 125.71(10) 1_445 1_545
Li2 Li1 Ag1 53.54(17) 1_545 1_545
Li2 Li1 Ag1 125.71(10) . 1_545
Ge1 Li1 Ag1 53.90(8) . 1_545
Ge1 Li1 Ag1 53.90(8) 1_445 1_545
Ge1 Li1 Ag1 125.6(3) 1_455 1_545
Ag1 Li1 Ag1 93.14(18) . 1_545
Ag1 Li1 Ag1 93.14(18) 1_445 1_545
Li4 Li1 Ag2 123.67(13) 25_556 .
Ge2 Li1 Ag2 56.33(13) . .
Li2 Li1 Ag2 125.8(3) 1_445 .
Li2 Li1 Ag2 54.26(11) 1_545 .
Li2 Li1 Ag2 54.26(11) . .
Ge1 Li1 Ag2 55.08(3) . .
Ge1 Li1 Ag2 126.14(7) 1_445 .
Ge1 Li1 Ag2 126.14(7) 1_455 .
Ag1 Li1 Ag2 87.315(6) . .
Ag1 Li1 Ag2 179.3(3) 1_445 .
Ag1 Li1 Ag2 87.316(6) 1_545 .
Ag1 Li2 Li3 180.000(1) . 19_666
Ag1 Li2 Ag2 106.27(18) . .
Li3 Li2 Ag2 73.73(18) 19_666 .
Ag1 Li2 Ag2 106.27(18) . 1_455
Li3 Li2 Ag2 73.73(18) 19_666 1_455
Ag2 Li2 Ag2 112.48(15) . 1_455
Ag1 Li2 Ag2 106.27(18) . 1_565
Li3 Li2 Ag2 73.73(18) 19_666 1_565
Ag2 Li2 Ag2 112.48(15) . 1_565
Ag2 Li2 Ag2 112.47(15) 1_455 1_565
Ag1 Li2 Li1 69.5(2) . 1_565
Li3 Li2 Li1 110.5(2) 19_666 1_565
Ag2 Li2 Li1 175.7(4) . 1_565
Ag2 Li2 Li1 69.43(8) 1_455 1_565
Ag2 Li2 Li1 69.43(8) 1_565 1_565
Ag1 Li2 Li1 69.5(2) . 1_665
Li3 Li2 Li1 110.5(2) 19_666 1_665
Ag2 Li2 Li1 69.43(8) . 1_665
Ag2 Li2 Li1 175.7(4) 1_455 1_665
Ag2 Li2 Li1 69.43(8) 1_565 1_665
Li1 Li2 Li1 108.4(2) 1_565 1_665
Ag1 Li2 Li1 69.5(2) . .
Li3 Li2 Li1 110.5(2) 19_666 .
Ag2 Li2 Li1 69.43(8) . .
Ag2 Li2 Li1 69.44(8) 1_455 .
Ag2 Li2 Li1 175.7(4) 1_565 .
Li1 Li2 Li1 108.4(2) 1_565 .
Li1 Li2 Li1 108.4(2) 1_665 .
Ag1 Li2 Ge2 124.25(13) . 1_565
Li3 Li2 Ge2 55.75(13) 19_666 1_565
Ag2 Li2 Ge2 129.5(3) . 1_565
Ag2 Li2 Ge2 56.33(8) 1_455 1_565
Ag2 Li2 Ge2 56.33(8) 1_565 1_565
Li1 Li2 Ge2 54.78(16) 1_565 1_565
Li1 Li2 Ge2 125.76(11) 1_665 1_565
Li1 Li2 Ge2 125.76(11) . 1_565
Ag1 Li2 Ge2 124.25(13) . 1_665
Li3 Li2 Ge2 55.75(13) 19_666 1_665
Ag2 Li2 Ge2 56.33(8) . 1_665
Ag2 Li2 Ge2 129.5(3) 1_455 1_665
Ag2 Li2 Ge2 56.33(8) 1_565 1_665
Li1 Li2 Ge2 125.76(11) 1_565 1_665
Li1 Li2 Ge2 54.78(17) 1_665 1_665
Li1 Li2 Ge2 125.76(11) . 1_665
Ge2 Li2 Ge2 91.42(18) 1_565 1_665
Ag1 Li2 Ge2 124.25(13) . .
Li3 Li2 Ge2 55.75(13) 19_666 .
Ag2 Li2 Ge2 56.33(8) . .
Ag2 Li2 Ge2 56.33(8) 1_455 .
Ag2 Li2 Ge2 129.5(3) 1_565 .
Li1 Li2 Ge2 125.76(11) 1_565 .
Li1 Li2 Ge2 125.76(11) 1_665 .
Li1 Li2 Ge2 54.78(16) . .
Ge2 Li2 Ge2 91.42(18) 1_565 .
Ge2 Li2 Ge2 91.42(18) 1_665 .
Ag1 Li2 Ge1 52.53(12) . .
Li3 Li2 Ge1 127.47(12) 19_666 .
Ag2 Li2 Ge1 53.74(6) . .
Ag2 Li2 Ge1 123.46(11) 1_455 .
Ag2 Li2 Ge1 123.46(11) 1_565 .
Li1 Li2 Ge1 122.0(3) 1_565 .
Li1 Li2 Ge1 54.20(12) 1_665 .
Li1 Li2 Ge1 54.20(12) . .
Ge2 Li2 Ge1 176.8(3) 1_565 .
Ge2 Li2 Ge1 90.823(13) 1_665 .
Ge2 Li2 Ge1 90.825(13) . .
Ag2 Li3 Li3 74.9(4) . 19_666
Ag2 Li3 Li3 74.9(4) . 19_766
Li3 Li3 Li3 113.4(3) 19_666 19_766
Ag2 Li3 Li3 74.9(4) . 19_656
Li3 Li3 Li3 113.4(3) 19_666 19_656
Li3 Li3 Li3 113.4(3) 19_766 19_656
Ag2 Li3 Li2 180.000(1) . 19_666
Li3 Li3 Li2 105.1(4) 19_666 19_666
Li3 Li3 Li2 105.1(4) 19_766 19_666
Li3 Li3 Li2 105.1(4) 19_656 19_666
Ag2 Li3 Ge2 109.7(2) . 19_656
Li3 Li3 Ge2 175.5(6) 19_666 19_656
Li3 Li3 Ge2 68.49(11) 19_766 19_656
Li3 Li3 Ge2 68.49(11) 19_656 19_656
Li2 Li3 Ge2 70.3(2) 19_666 19_656
Ag2 Li3 Ge2 109.7(2) . 19_556
Li3 Li3 Ge2 68.49(11) 19_666 19_556
Li3 Li3 Ge2 175.5(6) 19_766 19_556
Li3 Li3 Ge2 68.49(11) 19_656 19_556
Li2 Li3 Ge2 70.3(2) 19_666 19_556
Ge2 Li3 Ge2 109.3(2) 19_656 19_556
Ag2 Li3 Ge2 109.7(2) . 19_666
Li3 Li3 Ge2 68.49(11) 19_666 19_666
Li3 Li3 Ge2 68.49(11) 19_766 19_666
Li3 Li3 Ge2 175.5(6) 19_656 19_666
Li2 Li3 Ge2 70.3(2) 19_666 19_666
Ge2 Li3 Ge2 109.3(2) 19_656 19_666
Ge2 Li3 Ge2 109.3(2) 19_556 19_666
Ag2 Li3 Ge2 57.87(16) . .
Li3 Li3 Ge2 56.79(19) 19_666 .
Li3 Li3 Ge2 132.7(6) 19_766 .
Li3 Li3 Ge2 56.79(19) 19_656 .
Li2 Li3 Ge2 122.12(16) 19_666 .
Ge2 Li3 Ge2 125.29(8) 19_656 .
Ge2 Li3 Ge2 51.78(4) 19_556 .
Ge2 Li3 Ge2 125.29(8) 19_666 .
Ag2 Li3 Ge2 57.87(16) . 1_655
Li3 Li3 Ge2 132.7(6) 19_666 1_655
Li3 Li3 Ge2 56.79(19) 19_766 1_655
Li3 Li3 Ge2 56.79(19) 19_656 1_655
Li2 Li3 Ge2 122.13(16) 19_666 1_655
Ge2 Li3 Ge2 51.78(4) 19_656 1_655
Ge2 Li3 Ge2 125.29(8) 19_556 1_655
Ge2 Li3 Ge2 125.29(8) 19_666 1_655
Ge2 Li3 Ge2 94.3(2) . 1_655
Ag2 Li3 Ge2 57.87(16) . 1_665
Li3 Li3 Ge2 56.79(19) 19_666 1_665
Li3 Li3 Ge2 56.79(19) 19_766 1_665
Li3 Li3 Ge2 132.7(6) 19_656 1_665
Li2 Li3 Ge2 122.13(16) 19_666 1_665
Ge2 Li3 Ge2 125.29(8) 19_656 1_665
Ge2 Li3 Ge2 125.29(8) 19_556 1_665
Ge2 Li3 Ge2 51.78(4) 19_666 1_665
Ge2 Li3 Ge2 94.3(2) . 1_665
Ge2 Li3 Ge2 94.3(2) 1_655 1_665
Ag2 Li3 Ag2 126.74(14) . 19_666
Li3 Li3 Ag2 51.9(3) 19_666 19_666
Li3 Li3 Ag2 122.9(2) 19_766 19_666
Li3 Li3 Ag2 122.9(2) 19_656 19_666
Li2 Li3 Ag2 53.26(14) 19_666 19_666
Ge2 Li3 Ag2 123.6(3) 19_656 19_666
Ge2 Li3 Ag2 54.65(10) 19_556 19_666
Ge2 Li3 Ag2 54.65(10) 19_666 19_666
Ge2 Li3 Ag2 88.78(2) . 19_666
Ge2 Li3 Ag2 175.4(3) 1_655 19_666
Ge2 Li3 Ag2 88.78(2) 1_665 19_666
Ge1 Li4 Li1 180.000(1) . 25_556
Ge1 Li4 Ag1 110.95(16) . 25_666
Li1 Li4 Ag1 69.05(16) 25_556 25_666
Ge1 Li4 Ag1 110.95(16) . 25_556
Li1 Li4 Ag1 69.05(16) 25_556 25_556
Ag1 Li4 Ag1 107.96(16) 25_666 25_556
Ge1 Li4 Ag1 110.95(16) . 25_566
Li1 Li4 Ag1 69.05(16) 25_556 25_566
Ag1 Li4 Ag1 107.96(16) 25_666 25_566
Ag1 Li4 Ag1 107.96(16) 25_556 25_566
Ge1 Li4 Li4 68.7(3) . 25_656
Li1 Li4 Li4 111.3(3) 25_556 25_656
Ag1 Li4 Li4 72.25(8) 25_666 25_656
Ag1 Li4 Li4 72.25(8) 25_556 25_656
Ag1 Li4 Li4 179.6(5) 25_566 25_656
Ge1 Li4 Li4 68.7(3) . 25_556
Li1 Li4 Li4 111.3(3) 25_556 25_556
Ag1 Li4 Li4 179.6(5) 25_666 25_556
Ag1 Li4 Li4 72.25(8) 25_556 25_556
Ag1 Li4 Li4 72.25(8) 25_566 25_556
Li4 Li4 Li4 107.5(3) 25_656 25_556
Ge1 Li4 Li4 68.7(3) . 25_666
Li1 Li4 Li4 111.3(3) 25_556 25_666
Ag1 Li4 Li4 72.25(8) 25_666 25_666
Ag1 Li4 Li4 179.6(5) 25_556 25_666
Ag1 Li4 Li4 72.25(8) 25_566 25_666
Li4 Li4 Li4 107.5(3) 25_656 25_666
Li4 Li4 Li4 107.5(3) 25_556 25_666
Ge1 Li4 Ge1 122.64(13) . 25_666
Li1 Li4 Ge1 57.36(13) 25_556 25_666
Ag1 Li4 Ge1 54.12(8) 25_666 25_666
Ag1 Li4 Ge1 126.4(3) 25_556 25_666
Ag1 Li4 Ge1 54.12(8) 25_566 25_666
Li4 Li4 Ge1 126.05(13) 25_656 25_666
Li4 Li4 Ge1 126.05(13) 25_556 25_666
Li4 Li4 Ge1 53.98(18) 25_666 25_666
Ge1 Li4 Ge1 122.64(13) . 25_656
Li1 Li4 Ge1 57.36(13) 25_556 25_656
Ag1 Li4 Ge1 54.13(8) 25_666 25_656
Ag1 Li4 Ge1 54.13(8) 25_556 25_656
Ag1 Li4 Ge1 126.4(3) 25_566 25_656
Li4 Li4 Ge1 53.98(18) 25_656 25_656
Li4 Li4 Ge1 126.05(13) 25_556 25_656
Li4 Li4 Ge1 126.05(13) 25_666 25_656
Ge1 Li4 Ge1 93.65(17) 25_666 25_656
Ge1 Li4 Ge1 122.64(13) . 25_556
Li1 Li4 Ge1 57.36(13) 25_556 25_556
Ag1 Li4 Ge1 126.4(3) 25_666 25_556
Ag1 Li4 Ge1 54.12(8) 25_556 25_556
Ag1 Li4 Ge1 54.12(8) 25_566 25_556
Li4 Li4 Ge1 126.05(13) 25_656 25_556
Li4 Li4 Ge1 53.98(18) 25_556 25_556
Li4 Li4 Ge1 126.05(13) 25_666 25_556
Ge1 Li4 Ge1 93.65(17) 25_666 25_556
Ge1 Li4 Ge1 93.65(17) 25_656 25_556
Ge1 Li4 Ag1 52.28(11) . 1_545
Li1 Li4 Ag1 127.72(11) 25_556 1_545
Ag1 Li4 Ag1 126.02(8) 25_666 1_545
Ag1 Li4 Ag1 58.67(5) 25_556 1_545
Ag1 Li4 Ag1 126.02(8) 25_566 1_545
Li4 Li4 Ag1 53.77(17) 25_656 1_545
Li4 Li4 Ag1 53.77(17) 25_556 1_545
Li4 Li4 Ag1 120.9(4) 25_666 1_545
Ge1 Li4 Ag1 174.9(2) 25_666 1_545
Ge1 Li4 Ag1 89.825(17) 25_656 1_545
Ge1 Li4 Ag1 89.826(17) 25_556 1_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 Li4 2.645(8) .
Ge1 Ag1 2.64819(15) .
Ge1 Ag1 2.64822(15) 1_655
Ge1 Ag1 2.64822(14) 1_545
Ge1 Ag2 2.7139(5) .
Ge1 Li1 2.754(3) .
Ge1 Li1 2.754(3) 1_655
Ge1 Li1 2.754(3) 1_665
Ge1 Li4 3.045(4) 25_666
Ge1 Li4 3.045(4) 25_656
Ge1 Li4 3.045(4) 25_556
Ge1 Li2 3.231(5) 1_545
Ge2 Ge2 2.5262(8) 19_556
Ge2 Li1 2.707(8) .
Ge2 Li3 2.723(3) 19_556
Ge2 Li3 2.723(3) 19_666
Ge2 Li3 2.723(3) 19_656
Ge2 Ag2 2.75173(19) 1_445
Ge2 Ag2 2.75176(19) 1_455
Ge2 Ag2 2.75176(19) .
Ge2 Li3 3.028(5) 1_445
Ge2 Li3 3.028(5) .
Ge2 Li3 3.028(5) 1_455
Ge2 Li2 3.103(5) .
Ag1 Li2 2.626(9) .
Ag1 Ge1 2.64818(15) 1_455
Ag1 Ge1 2.64818(15) 1_565
Ag1 Li4 2.746(3) 25_566
Ag1 Li4 2.746(3) 25_666
Ag1 Li4 2.746(3) 25_556
Ag1 Ag1 2.9654(6) 25_566
Ag1 Li1 3.058(4) .
Ag1 Li1 3.058(4) 1_565
Ag1 Li1 3.058(5) 1_665
Ag1 Li4 3.242(5) .
Ag2 Li3 2.608(10) .
Ag2 Li2 2.671(2) .
Ag2 Li2 2.671(2) 1_655
Ag2 Li2 2.671(2) 1_545
Ag2 Ge2 2.75171(19) 1_655
Ag2 Ge2 2.75171(19) 1_665
Ag2 Li1 3.081(5) 1_665
Ag2 Li1 3.081(5) 1_655
Ag2 Li1 3.081(5) .
Ag2 Li3 3.200(6) 19_666
Li1 Li4 2.648(12) 25_556
Li1 Li2 2.738(4) 1_445
Li1 Li2 2.738(4) 1_545
Li1 Li2 2.738(4) .
Li1 Ge1 2.754(3) 1_445
Li1 Ge1 2.754(3) 1_455
Li1 Ag1 3.058(4) 1_445
Li1 Ag1 3.058(4) 1_545
Li2 Li3 2.662(13) 19_666
Li2 Ag2 2.671(2) 1_455
Li2 Ag2 2.671(2) 1_565
Li2 Li1 2.738(4) 1_565
Li2 Li1 2.738(4) 1_665
Li2 Ge2 3.102(5) 1_565
Li2 Ge2 3.102(5) 1_665
Li3 Li3 2.657(5) 19_666
Li3 Li3 2.657(5) 19_766
Li3 Li3 2.657(5) 19_656
Li3 Li2 2.662(13) 19_666
Li3 Ge2 2.723(3) 19_656
Li3 Ge2 2.723(3) 19_556
Li3 Ge2 2.723(3) 19_666
Li3 Ge2 3.028(5) 1_655
Li3 Ge2 3.028(5) 1_665
Li3 Ag2 3.200(6) 19_666
Li4 Li1 2.648(12) 25_556
Li4 Ag1 2.746(3) 25_666
Li4 Ag1 2.746(3) 25_556
Li4 Ag1 2.746(3) 25_566
Li4 Li4 2.753(6) 25_656
Li4 Li4 2.753(6) 25_556
Li4 Li4 2.753(6) 25_666
Li4 Ge1 3.045(4) 25_666
Li4 Ge1 3.045(4) 25_656
Li4 Ge1 3.045(4) 25_556
Li4 Ag1 3.242(5) 1_545
