#------------------------------------------------------------------------------
#$Date: 2022-11-03 01:50:36 +0200 (Thu, 03 Nov 2022) $
#$Revision: 278917 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/16/7711682.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_7711682
loop_
_publ_author_name
'Sundaramoorthy, Santhoshkumar'
'Chernatynskiy, Aleksandr V.'
'Gerasimchuk, Nikolay'
'Choudhury, Amitava'
_publ_section_title
;
 Lithium Selenometallates of Triel Elements, Li5MSe4 (M = Al and Ga),
 Aliovalent Doping and Their Ionic Conductivity
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02843C
_journal_year                    2022
_chemical_formula_sum            'Al0.82 Li4.66 Se4 Sn0.22'
_chemical_formula_weight         396.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-08-30 deposited with the CCDC.	2022-11-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.134(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.580(4)
_cell_length_b                   8.280(5)
_cell_length_c                   7.238(4)
_cell_measurement_reflns_used    1210
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.81
_cell_volume                     394.3(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_unetI/netI     0.0417
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3473
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.249
_diffrn_reflns_theta_min         2.814
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    19.265
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.3731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    3.339
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       Cube
_exptl_crystal_F_000             343
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.590
_refine_diff_density_min         -1.491
_refine_diff_density_rms         0.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     60
_refine_ls_number_reflns         1000
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0575P)²+0.6780P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1061
_reflns_Friedel_coverage         0.000
_reflns_number_gt                892
_reflns_number_total             1000
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02843c2.cif
_cod_data_source_block           s1_CCDC3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7711682
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.071
_shelx_estimated_absorpt_t_max   0.249
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.1314(2) 0.250000 0.67169(19) 0.0168(3) Uani 0.82 2 d S T P . .
Sn1 Sn 0.1314(2) 0.250000 0.67169(19) 0.0168(3) Uani 0.18 2 d S T P . .
Se1 Se 0.26082(10) 0.250000 0.35980(11) 0.0180(2) Uani 1 2 d S T P . .
Se2 Se -0.23448(11) 0.250000 0.67329(10) 0.0186(2) Uani 1 2 d S T P . .
Se3 Se 0.26230(8) 0.48758(6) 0.82739(7) 0.0188(2) Uani 1 1 d . . . . .
Li1 Li 0.137(2) 0.4871(12) 0.1636(17) 0.030(3) Uani 0.94 1 d . . P . .
Li2 Li 0.513(4) 0.250000 0.971(3) 0.060(7) Uani 0.86 2 d S T P . .
Li3 Li -0.1346(14) 0.250000 0.3325(12) 0.039(2) Uani 0.96 2 d S T P . .
Sn2 Sn -0.1346(14) 0.250000 0.3325(12) 0.039(2) Uani 0.04 2 d S T P . .
Li4 Li 0.500000 0.500000 0.500000 0.055(9) Uani 0.96(8) 2 d S . P . .
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
_geom_angle_publ_flag
Se2 Al1 Se1 111.06(6) . . ?
Se2 Al1 Se3 110.60(4) . . ?
Se1 Al1 Se3 108.00(5) . . ?
Se2 Al1 Se3 110.60(4) . 4_565 ?
Se1 Al1 Se3 108.00(5) . 4_565 ?
Se3 Al1 Se3 108.48(7) . 4_565 ?
Se2 Al1 Li3 54.88(17) . . ?
Se1 Al1 Li3 56.18(18) . . ?
Se3 Al1 Li3 125.74(4) . . ?
Se3 Al1 Li3 125.74(4) 4_565 . ?
Se2 Al1 Li1 54.4(2) . 2_546 ?
Se1 Al1 Li1 124.9(2) . 2_546 ?
Se3 Al1 Li1 127.1(2) . 2_546 ?
Se3 Al1 Li1 56.3(2) 4_565 2_546 ?
Li3 Al1 Li1 89.0(3) . 2_546 ?
Se2 Al1 Li1 54.4(2) . 3_566 ?
Se1 Al1 Li1 124.9(2) . 3_566 ?
Se3 Al1 Li1 56.3(2) . 3_566 ?
Se3 Al1 Li1 127.1(2) 4_565 3_566 ?
Li3 Al1 Li1 89.0(3) . 3_566 ?
Li1 Al1 Li1 91.1(4) 2_546 3_566 ?
Al1 Se1 Li1 114.0(3) . 4_565 ?
Al1 Se1 Li1 114.0(3) . . ?
Li1 Se1 Li1 100.4(5) 4_565 . ?
Al1 Se1 Li3 73.56(19) . . ?
Li1 Se1 Li3 69.0(3) 4_565 . ?
Li1 Se1 Li3 69.0(3) . . ?
Al1 Se1 Li4 81.94(4) . . ?
Li1 Se1 Li4 162.0(3) 4_565 . ?
Li1 Se1 Li4 79.1(2) . . ?
Li3 Se1 Li4 126.10(8) . . ?
Al1 Se1 Li4 81.94(4) . 2_646 ?
Li1 Se1 Li4 79.1(2) 4_565 2_646 ?
Li1 Se1 Li4 162.0(3) . 2_646 ?
Li3 Se1 Li4 126.10(8) . 2_646 ?
Li4 Se1 Li4 95.79(5) . 2_646 ?
Al1 Se2 Li3 74.7(2) . . ?
Al1 Se2 Li1 75.7(3) . 3_566 ?
Li3 Se2 Li1 112.4(3) . 3_566 ?
Al1 Se2 Li1 75.7(3) . 2_546 ?
Li3 Se2 Li1 112.4(3) . 2_546 ?
Li1 Se2 Li1 116.7(5) 3_566 2_546 ?
Al1 Se2 Li2 128.0(5) . 1_455 ?
Li3 Se2 Li2 157.4(5) . 1_455 ?
Li1 Se2 Li2 77.7(4) 3_566 1_455 ?
Li1 Se2 Li2 77.7(4) 2_546 1_455 ?
Al1 Se2 Li4 125.64(3) . 2_546 ?
Li3 Se2 Li4 75.28(15) . 2_546 ?
Li1 Se2 Li4 158.5(3) 3_566 2_546 ?
Li1 Se2 Li4 75.5(3) 2_546 2_546 ?
Li2 Se2 Li4 88.6(3) 1_455 2_546 ?
Al1 Se2 Li4 125.64(3) . 1_455 ?
Li3 Se2 Li4 75.28(15) . 1_455 ?
Li1 Se2 Li4 75.5(3) 3_566 1_455 ?
Li1 Se2 Li4 158.5(3) 2_546 1_455 ?
Li2 Se2 Li4 88.6(3) 1_455 1_455 ?
Li4 Se2 Li4 87.87(5) 2_546 1_455 ?
Al1 Se3 Li1 108.9(2) . 1_556 ?
Al1 Se3 Li3 110.92(18) . 3_566 ?
Li1 Se3 Li3 108.6(3) 1_556 3_566 ?
Al1 Se3 Li1 73.9(2) . 3_566 ?
Li1 Se3 Li1 69.9(4) 1_556 3_566 ?
Li3 Se3 Li1 67.9(3) 3_566 3_566 ?
Al1 Se3 Li2 79.0(3) . . ?
Li1 Se3 Li2 80.5(6) 1_556 . ?
Li3 Se3 Li2 162.3(5) 3_566 . ?
Li1 Se3 Li2 129.8(5) 3_566 . ?
Al1 Se3 Li4 80.65(5) . . ?
Li1 Se3 Li4 165.1(3) 1_556 . ?
Li3 Se3 Li4 77.11(19) 3_566 . ?
Li1 Se3 Li4 124.6(3) 3_566 . ?
Li2 Se3 Li4 90.6(5) . . ?
Al1 Se3 Li2 170.6(4) . 3_667 ?
Li1 Se3 Li2 72.6(5) 1_556 3_667 ?
Li3 Se3 Li2 76.7(3) 3_566 3_667 ?
Li1 Se3 Li2 114.8(5) 3_566 3_667 ?
Li2 Se3 Li2 92.25(9) . 3_667 ?
Li4 Se3 Li2 96.1(5) . 3_667 ?
Se1 Li1 Se2 108.6(4) . 3_566 ?
Se1 Li1 Se3 115.2(5) . 1_554 ?
Se2 Li1 Se3 110.8(4) 3_566 1_554 ?
Se1 Li1 Se3 111.3(4) . 3_566 ?
Se2 Li1 Se3 99.7(4) 3_566 3_566 ?
Se3 Li1 Se3 110.2(4) 1_554 3_566 ?
Se1 Li1 Li3 56.4(3) . . ?
Se2 Li1 Li3 122.1(5) 3_566 . ?
Se3 Li1 Li3 126.4(4) 1_554 . ?
Se3 Li1 Li3 55.4(3) 3_566 . ?
Se1 Li1 Li1 133.5(5) . 3_565 ?
Se2 Li1 Li1 117.1(5) 3_566 3_565 ?
Se3 Li1 Li1 56.1(4) 1_554 3_565 ?
Se3 Li1 Li1 54.0(4) 3_566 3_565 ?
Li3 Li1 Li1 90.6(6) . 3_565 ?
Se1 Li1 Al1 121.0(5) . 3_566 ?
Se2 Li1 Al1 49.9(2) 3_566 3_566 ?
Se3 Li1 Al1 123.8(4) 1_554 3_566 ?
Se3 Li1 Al1 49.8(2) 3_566 3_566 ?
Li3 Li1 Al1 87.7(4) . 3_566 ?
Li1 Li1 Al1 84.7(5) 3_565 3_566 ?
Se1 Li1 Li2 116.6(5) . 3_666 ?
Se2 Li1 Li2 53.4(4) 3_566 3_666 ?
Se3 Li1 Li2 59.8(5) 1_554 3_666 ?
Se3 Li1 Li2 130.3(5) 3_566 3_666 ?
Li3 Li1 Li2 171.5(6) . 3_666 ?
Li1 Li1 Li2 98.0(6) 3_565 3_666 ?
Al1 Li1 Li2 92.9(4) 3_566 3_666 ?
Se1 Li1 Li4 53.5(2) . . ?
Se2 Li1 Li4 57.9(2) 3_566 . ?
Se3 Li1 Li4 116.8(4) 1_554 . ?
Se3 Li1 Li4 132.5(4) 3_566 . ?
Li3 Li1 Li4 98.7(4) . . ?
Li1 Li1 Li4 170.8(6) 3_565 . ?
Al1 Li1 Li4 96.0(3) 3_566 . ?
Li2 Li1 Li4 72.8(4) 3_666 . ?
Se1 Li1 Li2 63.9(4) . 1_554 ?
Se2 Li1 Li2 119.4(5) 3_566 1_554 ?
Se3 Li1 Li2 52.3(4) 1_554 1_554 ?
Se3 Li1 Li2 140.3(5) 3_566 1_554 ?
Li3 Li1 Li2 103.1(4) . 1_554 ?
Li1 Li1 Li2 98.8(6) 3_565 1_554 ?
Al1 Li1 Li2 168.5(4) 3_566 1_554 ?
Li2 Li1 Li2 75.9(3) 3_666 1_554 ?
Li4 Li1 Li2 78.7(5) . 1_554 ?
Se2 Li2 Se3 93.8(6) 1_655 . ?
Se2 Li2 Se3 93.8(6) 1_655 4_565 ?
Se3 Li2 Se3 90.5(7) . 4_565 ?
Se2 Li2 Se3 94.8(6) 1_655 3_667 ?
Se3 Li2 Se3 87.75(9) . 3_667 ?
Se3 Li2 Se3 171.4(10) 4_565 3_667 ?
Se2 Li2 Se3 94.8(6) 1_655 2_647 ?
Se3 Li2 Se3 171.4(10) . 2_647 ?
Se3 Li2 Se3 87.75(9) 4_565 2_647 ?
Se3 Li2 Se3 92.7(6) 3_667 2_647 ?
Se2 Li2 Li1 48.9(4) 1_655 3_666 ?
Se3 Li2 Li1 80.6(3) . 3_666 ?
Se3 Li2 Li1 140.2(9) 4_565 3_666 ?
Se3 Li2 Li1 47.7(3) 3_667 3_666 ?
Se3 Li2 Li1 106.1(7) 2_647 3_666 ?
Se2 Li2 Li1 48.9(4) 1_655 2_646 ?
Se3 Li2 Li1 140.2(9) . 2_646 ?
Se3 Li2 Li1 80.6(3) 4_565 2_646 ?
Se3 Li2 Li1 106.1(7) 3_667 2_646 ?
Se3 Li2 Li1 47.7(3) 2_647 2_646 ?
Li1 Li2 Li1 82.0(7) 3_666 2_646 ?
Se2 Li2 Li1 139.2(5) 1_655 4_566 ?
Se3 Li2 Li1 97.4(7) . 4_566 ?
Se3 Li2 Li1 47.2(4) 4_565 4_566 ?
Se3 Li2 Li1 124.6(8) 3_667 4_566 ?
Se3 Li2 Li1 75.2(4) 2_647 4_566 ?
Li1 Li2 Li1 171.9(7) 3_666 4_566 ?
Li1 Li2 Li1 104.1(3) 2_646 4_566 ?
Se2 Li2 Li1 139.2(5) 1_655 1_556 ?
Se3 Li2 Li1 47.2(4) . 1_556 ?
Se3 Li2 Li1 97.4(7) 4_565 1_556 ?
Se3 Li2 Li1 75.2(4) 3_667 1_556 ?
Se3 Li2 Li1 124.6(8) 2_647 1_556 ?
Li1 Li2 Li1 104.1(3) 3_666 1_556 ?
Li1 Li2 Li1 171.9(7) 2_646 1_556 ?
Li1 Li2 Li1 69.3(6) 4_566 1_556 ?
Se2 Li2 Li3 100.8(7) 1_655 1_656 ?
Se3 Li2 Li3 132.5(4) . 1_656 ?
Se3 Li2 Li3 132.5(4) 4_565 1_656 ?
Se3 Li2 Li3 46.5(3) 3_667 1_656 ?
Se3 Li2 Li3 46.5(3) 2_647 1_656 ?
Li1 Li2 Li3 76.1(5) 3_666 1_656 ?
Li1 Li2 Li3 76.1(5) 2_646 1_656 ?
Li1 Li2 Li3 100.0(6) 4_566 1_656 ?
Li1 Li2 Li3 100.0(6) 1_556 1_656 ?
Se2 Li3 Se3 110.2(2) . 2_546 ?
Se2 Li3 Se3 110.2(2) . 3_566 ?
Se3 Li3 Se3 113.3(3) 2_546 3_566 ?
Se2 Li3 Se1 100.7(3) . . ?
Se3 Li3 Se1 110.8(2) 2_546 . ?
Se3 Li3 Se1 110.8(2) 3_566 . ?
Se2 Li3 Li1 124.2(4) . 4_565 ?
Se3 Li3 Li1 56.7(3) 2_546 4_565 ?
Se3 Li3 Li1 124.9(4) 3_566 4_565 ?
Se1 Li3 Li1 54.6(3) . 4_565 ?
Se2 Li3 Li1 124.2(4) . . ?
Se3 Li3 Li1 124.9(4) 2_546 . ?
Se3 Li3 Li1 56.7(3) 3_566 . ?
Se1 Li3 Li1 54.6(3) . . ?
Li1 Li3 Li1 84.3(6) 4_565 . ?
Se2 Li3 Al1 50.45(16) . . ?
Se3 Li3 Al1 123.32(16) 2_546 . ?
Se3 Li3 Al1 123.32(16) 3_566 . ?
Se1 Li3 Al1 50.26(16) . . ?
Li1 Li3 Al1 89.2(4) 4_565 . ?
Li1 Li3 Al1 89.2(4) . . ?
Se2 Li3 Li4 58.10(15) . 2_546 ?
Se3 Li3 Li4 54.66(12) 2_546 2_546 ?
Se3 Li3 Li4 116.1(3) 3_566 2_546 ?
Se1 Li3 Li4 132.8(2) . 2_546 ?
Li1 Li3 Li4 100.0(2) 4_565 2_546 ?
Li1 Li3 Li4 172.6(4) . 2_546 ?
Al1 Li3 Li4 96.9(2) . 2_546 ?
Se2 Li3 Li4 58.10(15) . 1_455 ?
Se3 Li3 Li4 116.1(3) 2_546 1_455 ?
Se3 Li3 Li4 54.66(12) 3_566 1_455 ?
Se1 Li3 Li4 132.8(2) . 1_455 ?
Li1 Li3 Li4 172.6(4) 4_565 1_455 ?
Li1 Li3 Li4 100.0(2) . 1_455 ?
Al1 Li3 Li4 96.9(2) . 1_455 ?
Li4 Li3 Li4 75.04(19) 2_546 1_455 ?
Se2 Li3 Li2 123.4(5) . 1_454 ?
Se3 Li3 Li2 56.85(17) 2_546 1_454 ?
Se3 Li3 Li2 56.85(17) 3_566 1_454 ?
Se1 Li3 Li2 135.9(5) . 1_454 ?
Li1 Li3 Li2 95.3(5) 4_565 1_454 ?
Li1 Li3 Li2 95.3(5) . 1_454 ?
Al1 Li3 Li2 173.9(5) . 1_454 ?
Li4 Li3 Li2 78.3(4) 2_546 1_454 ?
Li4 Li3 Li2 78.3(4) 1_455 1_454 ?
Se1 Li4 Se1 180.0 3_666 . ?
Se1 Li4 Se3 88.01(4) 3_666 3_666 ?
Se1 Li4 Se3 91.99(4) . 3_666 ?
Se1 Li4 Se3 91.99(4) 3_666 . ?
Se1 Li4 Se3 88.01(4) . . ?
Se3 Li4 Se3 180.000(11) 3_666 . ?
Se1 Li4 Se2 88.13(5) 3_666 3_566 ?
Se1 Li4 Se2 91.87(5) . 3_566 ?
Se3 Li4 Se2 86.98(4) 3_666 3_566 ?
Se3 Li4 Se2 93.02(4) . 3_566 ?
Se1 Li4 Se2 91.87(5) 3_666 1_655 ?
Se1 Li4 Se2 88.13(5) . 1_655 ?
Se3 Li4 Se2 93.02(4) 3_666 1_655 ?
Se3 Li4 Se2 86.98(4) . 1_655 ?
Se2 Li4 Se2 180.0 3_566 1_655 ?
Se1 Li4 Li3 79.48(13) 3_666 3_566 ?
Se1 Li4 Li3 100.52(13) . 3_566 ?
Se3 Li4 Li3 131.77(12) 3_666 3_566 ?
Se3 Li4 Li3 48.23(12) . 3_566 ?
Se2 Li4 Li3 46.62(14) 3_566 3_566 ?
Se2 Li4 Li3 133.38(14) 1_655 3_566 ?
Se1 Li4 Li3 100.52(13) 3_666 1_655 ?
Se1 Li4 Li3 79.48(13) . 1_655 ?
Se3 Li4 Li3 48.23(12) 3_666 1_655 ?
Se3 Li4 Li3 131.77(12) . 1_655 ?
Se2 Li4 Li3 133.38(14) 3_566 1_655 ?
Se2 Li4 Li3 46.62(14) 1_655 1_655 ?
Li3 Li4 Li3 180.0 3_566 1_655 ?
Se1 Li4 Li1 47.40(16) 3_666 3_666 ?
Se1 Li4 Li1 132.60(16) . 3_666 ?
Se3 Li4 Li1 102.0(2) 3_666 3_666 ?
Se3 Li4 Li1 78.0(2) . 3_666 ?
Se2 Li4 Li1 133.41(17) 3_566 3_666 ?
Se2 Li4 Li1 46.59(17) 1_655 3_666 ?
Li3 Li4 Li1 102.8(3) 3_566 3_666 ?
Li3 Li4 Li1 77.2(3) 1_655 3_666 ?
Se1 Li4 Li1 132.60(16) 3_666 . ?
Se1 Li4 Li1 47.40(16) . . ?
Se3 Li4 Li1 78.0(2) 3_666 . ?
Se3 Li4 Li1 102.0(2) . . ?
Se2 Li4 Li1 46.59(17) 3_566 . ?
Se2 Li4 Li1 133.41(17) 1_655 . ?
Li3 Li4 Li1 77.2(3) 3_566 . ?
Li3 Li4 Li1 102.8(3) 1_655 . ?
Li1 Li4 Li1 180.0 3_666 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 Se2 2.408(2) . ?
Al1 Se1 2.414(2) . ?
Al1 Se3 2.4241(14) . ?
Al1 Se3 2.4241(14) 4_565 ?
Al1 Li3 3.012(9) . ?
Al1 Li1 3.049(12) 2_546 ?
Al1 Li1 3.049(12) 3_566 ?
Se1 Li1 2.554(11) 4_565 ?
Se1 Li1 2.554(11) . ?
Se1 Li3 2.609(9) . ?
Se1 Li4 2.7899(12) . ?
Se1 Li4 2.7899(12) 2_646 ?
Se2 Li3 2.554(9) . ?
Se2 Li1 2.557(10) 3_566 ?
Se2 Li1 2.557(10) 2_546 ?
Se2 Li2 2.73(3) 1_455 ?
Se2 Li4 2.9833(12) 2_546 ?
Se2 Li4 2.9833(12) 1_455 ?
Se3 Li1 2.570(12) 1_556 ?
Se3 Li3 2.600(5) 3_566 ?
Se3 Li1 2.639(13) 3_566 ?
Se3 Li2 2.769(16) . ?
Se3 Li4 2.8440(14) . ?
Se3 Li2 3.003(16) 3_667 ?
Li1 Li3 2.925(15) . ?
Li1 Li1 2.98(2) 3_565 ?
Li1 Li2 3.32(2) 3_666 ?
Li1 Li4 3.407(12) . ?
Li1 Li2 3.45(2) 1_554 ?
Li2 Li3 3.49(2) 1_656 ?
Li3 Li4 3.399(7) 2_546 ?
Li3 Li4 3.399(7) 1_455 ?
