#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:44:44 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224564 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/09/7700962.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_7700962
loop_
_publ_author_name
'Ovchinnikov, Alexander'
'Bobev, Svilen'
_publ_section_title
;
 Multifaceted Sn-Sn bonding in the solid state. Synthesis and structural
 characterization of four new Ca-Li-Sn compounds.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14398
_journal_page_last               14407
_journal_paper_doi               10.1039/c9dt02803j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'Ca2 Li Sn3'
_chemical_formula_weight         443.17
_space_group_crystal_system      orthorhombic
_space_group_IT_number           25
_space_group_name_Hall           'P 2 -2'
_space_group_name_H-M_alt        'P m m 2'
_symmetry_space_group_name_Hall  'P 2 -2'
_symmetry_space_group_name_H-M   'P m m 2'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-05 deposited with the CCDC.    2019-08-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            3
_cell_length_a                   4.6391(9)
_cell_length_b                   13.3172(6)
_cell_length_c                   7.6517(16)
_cell_measurement_reflns_used    1264
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.9
_cell_measurement_theta_min      2.66
_cell_volume                     472.72(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXT
_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_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6072
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.991
_diffrn_reflns_theta_min         1.529
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    13.271
_exptl_absorpt_correction_T_max  0.76
_exptl_absorpt_correction_T_min  0.59
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    4.670
_exptl_crystal_description       irregular
_exptl_crystal_F_000             579
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.017
_refine_diff_density_min         -2.150
_refine_diff_density_rms         0.292
_refine_ls_abs_structure_details
;
 Flack x determined using 478 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.06(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     55
_refine_ls_number_reflns         1201
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0181P)²+6.9258P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0646
_reflns_Friedel_coverage         0.851
_reflns_Friedel_fraction_full    0.983
_reflns_Friedel_fraction_max     0.986
_reflns_number_gt                1112
_reflns_number_total             1201
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt02803j2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7700960--7700963.cif.'
_cod_database_code               7700962
_shelx_shelxl_version_number     2014/7
_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   0.619
_shelx_estimated_absorpt_t_max   0.777
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y, z'
'-x, y, 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
Ca1 Ca 0.5000 0.2116(3) 0.0249(5) 0.0093(9) Uani 1 2 d S T P
Ca2 Ca 0.5000 0.2963(4) 0.5377(6) 0.0169(10) Uani 1 2 d S T P
Ca3 Ca 0.5000 0.5000 0.1500(9) 0.0115(13) Uani 1 4 d S T P
Ca4 Ca 0.5000 0.0000 0.6609(9) 0.0151(14) Uani 1 4 d S T P
Li1 Li 0.0000 0.126(3) 0.365(14) 0.016 Uiso 1 2 d S U P
Li2 Li 0.5000 0.5000 0.727(13) 0.016(13) Uiso 1 4 d S . P
Sn1 Sn 0.0000 0.16260(10) 0.7314(2) 0.0094(4) Uani 1 2 d S T P
Sn2 Sn 0.0000 0.32585(9) 0.2434(2) 0.0087(3) Uani 1 2 d S T P
Sn3 Sn 0.0000 0.37660(10) 0.8653(3) 0.0103(3) Uani 1 2 d S T P
Sn4 Sn 0.5000 0.0000 0.2433(4) 0.0126(4) Uani 1 4 d S T P
Sn5 Sn 0.0000 0.5000 0.4819(3) 0.0104(5) Uani 1 4 d S T P
Sn6 Sn 0.0000 0.0000 0.0001(3) 0.0186(6) Uani 1 4 d S T 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'
Ca Ca 0.2262 0.3064 '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
Sn2 Ca1 Sn2 91.48(11) . 1_655
Sn2 Ca1 Sn4 98.09(10) . .
Sn2 Ca1 Sn4 98.09(10) 1_655 .
Sn2 Ca1 Sn1 86.60(4) . 1_554
Sn2 Ca1 Sn1 161.68(15) 1_655 1_554
Sn4 Ca1 Sn1 100.22(11) . 1_554
Sn2 Ca1 Sn1 161.68(15) . 1_654
Sn2 Ca1 Sn1 86.60(4) 1_655 1_654
Sn4 Ca1 Sn1 100.22(11) . 1_654
Sn1 Ca1 Sn1 89.53(11) 1_554 1_654
Sn2 Ca1 Sn3 111.61(13) . 1_654
Sn2 Ca1 Sn3 52.91(7) 1_655 1_654
Sn4 Ca1 Sn3 137.28(5) . 1_654
Sn1 Ca1 Sn3 111.18(13) 1_554 1_654
Sn1 Ca1 Sn3 53.58(5) 1_654 1_654
Sn2 Ca1 Sn3 52.91(7) . 1_554
Sn2 Ca1 Sn3 111.61(13) 1_655 1_554
Sn4 Ca1 Sn3 137.28(5) . 1_554
Sn1 Ca1 Sn3 53.58(5) 1_554 1_554
Sn1 Ca1 Sn3 111.18(13) 1_654 1_554
Sn3 Ca1 Sn3 85.39(11) 1_654 1_554
Sn2 Ca1 Sn6 86.24(5) . .
Sn2 Ca1 Sn6 147.52(14) 1_655 .
Sn4 Ca1 Sn6 50.46(7) . .
Sn1 Ca1 Sn6 50.57(5) 1_554 .
Sn1 Ca1 Sn6 104.99(11) 1_654 .
Sn3 Ca1 Sn6 155.11(14) 1_654 .
Sn3 Ca1 Sn6 92.66(4) 1_554 .
Sn2 Ca1 Sn6 147.52(14) . 1_655
Sn2 Ca1 Sn6 86.25(5) 1_655 1_655
Sn4 Ca1 Sn6 50.46(7) . 1_655
Sn1 Ca1 Sn6 104.99(11) 1_554 1_655
Sn1 Ca1 Sn6 50.57(6) 1_654 1_655
Sn3 Ca1 Sn6 92.66(4) 1_654 1_655
Sn3 Ca1 Sn6 155.11(14) 1_554 1_655
Sn6 Ca1 Sn6 78.79(9) . 1_655
Sn2 Ca1 Li1 103.5(12) . 1_655
Sn2 Ca1 Li1 47.7(5) 1_655 1_655
Sn4 Ca1 Li1 51.0(5) . 1_655
Sn1 Ca1 Li1 150.1(6) 1_554 1_655
Sn1 Ca1 Li1 88.6(11) 1_654 1_655
Sn3 Ca1 Li1 91.4(7) 1_654 1_655
Sn3 Ca1 Li1 151.9(10) 1_554 1_655
Sn6 Ca1 Li1 101.4(5) . 1_655
Sn6 Ca1 Li1 52.8(11) 1_655 1_655
Sn2 Ca1 Li1 47.7(5) . .
Sn2 Ca1 Li1 103.5(12) 1_655 .
Sn4 Ca1 Li1 51.0(5) . .
Sn1 Ca1 Li1 88.6(11) 1_554 .
Sn1 Ca1 Li1 150.1(6) 1_654 .
Sn3 Ca1 Li1 151.9(10) 1_654 .
Sn3 Ca1 Li1 91.4(7) 1_554 .
Sn6 Ca1 Li1 52.8(11) . .
Sn6 Ca1 Li1 101.4(5) 1_655 .
Li1 Ca1 Li1 78.5(19) 1_655 .
Sn2 Ca1 Ca2 110.98(11) . 1_554
Sn2 Ca1 Ca2 110.98(11) 1_655 1_554
Sn4 Ca1 Ca2 137.50(15) . 1_554
Sn1 Ca1 Ca2 53.47(7) 1_554 1_554
Sn1 Ca1 Ca2 53.47(7) 1_654 1_554
Sn3 Ca1 Ca2 58.14(9) 1_654 1_554
Sn3 Ca1 Ca2 58.14(9) 1_554 1_554
Sn6 Ca1 Ca2 99.99(11) . 1_554
Sn6 Ca1 Ca2 99.99(11) 1_655 1_554
Li1 Ca1 Ca2 140.2(11) 1_655 1_554
Li1 Ca1 Ca2 140.3(11) . 1_554
Li2 Ca2 Sn2 102.7(11) . 1_655
Li2 Ca2 Sn2 102.7(11) . .
Sn2 Ca2 Sn2 90.82(12) 1_655 .
Li2 Ca2 Sn1 105.4(11) . .
Sn2 Ca2 Sn1 151.90(18) 1_655 .
Sn2 Ca2 Sn1 82.78(5) . .
Li2 Ca2 Sn1 105.4(11) . 1_655
Sn2 Ca2 Sn1 82.78(5) 1_655 1_655
Sn2 Ca2 Sn1 151.90(18) . 1_655
Sn1 Ca2 Sn1 90.08(12) . 1_655
Li2 Ca2 Li1 138.5(6) . .
Sn2 Ca2 Li1 106.7(14) 1_655 .
Sn2 Ca2 Li1 49.1(11) . .
Sn1 Ca2 Li1 49.5(16) . .
Sn1 Ca2 Li1 106.7(8) 1_655 .
Li2 Ca2 Li1 138.5(6) . 1_655
Sn2 Ca2 Li1 49.1(11) 1_655 1_655
Sn2 Ca2 Li1 106.7(14) . 1_655
Sn1 Ca2 Li1 106.7(8) . 1_655
Sn1 Ca2 Li1 49.5(16) 1_655 1_655
Li1 Ca2 Li1 82.8(13) . 1_655
Li2 Ca2 Sn3 53.6(9) . 1_655
Sn2 Ca2 Sn3 89.23(6) 1_655 1_655
Sn2 Ca2 Sn3 155.48(17) . 1_655
Sn1 Ca2 Sn3 107.72(14) . 1_655
Sn1 Ca2 Sn3 52.20(6) 1_655 1_655
Li1 Ca2 Sn3 152.5(14) . 1_655
Li1 Ca2 Sn3 91.7(12) 1_655 1_655
Li2 Ca2 Sn3 53.6(10) . .
Sn2 Ca2 Sn3 155.48(17) 1_655 .
Sn2 Ca2 Sn3 89.23(6) . .
Sn1 Ca2 Sn3 52.20(6) . .
Sn1 Ca2 Sn3 107.72(14) 1_655 .
Li1 Ca2 Sn3 91.7(12) . .
Li1 Ca2 Sn3 152.5(14) 1_655 .
Sn3 Ca2 Sn3 80.81(12) 1_655 .
Li2 Ca2 Sn5 52.5(9) . 1_655
Sn2 Ca2 Sn5 50.73(6) 1_655 1_655
Sn2 Ca2 Sn5 106.63(14) . 1_655
Sn1 Ca2 Sn5 156.95(16) . 1_655
Sn1 Ca2 Sn5 90.40(4) 1_655 1_655
Li1 Ca2 Sn5 150.5(16) . 1_655
Li1 Ca2 Sn5 91.0(5) 1_655 1_655
Sn3 Ca2 Sn5 55.91(7) 1_655 1_655
Sn3 Ca2 Sn5 106.02(13) . 1_655
Li2 Ca2 Sn5 52.5(9) . .
Sn2 Ca2 Sn5 106.62(14) 1_655 .
Sn2 Ca2 Sn5 50.73(6) . .
Sn1 Ca2 Sn5 90.40(4) . .
Sn1 Ca2 Sn5 156.96(16) 1_655 .
Li1 Ca2 Sn5 91.0(5) . .
Li1 Ca2 Sn5 150.5(16) 1_655 .
Sn3 Ca2 Sn5 106.02(13) 1_655 .
Sn3 Ca2 Sn5 55.91(7) . .
Sn5 Ca2 Sn5 80.37(11) 1_655 .
Li2 Ca2 Ca1 78.7(16) . 1_556
Sn2 Ca2 Ca1 134.18(6) 1_655 1_556
Sn2 Ca2 Ca1 134.18(6) . 1_556
Sn1 Ca2 Ca1 53.85(8) . 1_556
Sn1 Ca2 Ca1 53.85(8) 1_655 1_556
Li1 Ca2 Ca1 100.0(16) . 1_556
Li1 Ca2 Ca1 100.0(16) 1_655 1_556
Sn3 Ca2 Ca1 54.28(8) 1_655 1_556
Sn3 Ca2 Ca1 54.28(8) . 1_556
Sn5 Ca2 Ca1 109.41(12) 1_655 1_556
Sn5 Ca2 Ca1 109.41(12) . 1_556
Li2 Ca3 Sn2 102.29(11) 1_554 2_665
Li2 Ca3 Sn2 102.29(11) 1_554 2_565
Sn2 Ca3 Sn2 87.41(6) 2_665 2_565
Li2 Ca3 Sn2 102.29(11) 1_554 1_655
Sn2 Ca3 Sn2 87.39(6) 2_665 1_655
Sn2 Ca3 Sn2 155.4(2) 2_565 1_655
Li2 Ca3 Sn2 102.29(11) 1_554 .
Sn2 Ca3 Sn2 155.4(2) 2_665 .
Sn2 Ca3 Sn2 87.40(6) 2_565 .
Sn2 Ca3 Sn2 87.41(6) 1_655 .
Li2 Ca3 Sn5 137.59(8) 1_554 .
Sn2 Ca3 Sn5 107.99(15) 2_665 .
Sn2 Ca3 Sn5 51.45(6) 2_565 .
Sn2 Ca3 Sn5 107.99(15) 1_655 .
Sn2 Ca3 Sn5 51.45(6) . .
Li2 Ca3 Sn5 137.59(8) 1_554 1_655
Sn2 Ca3 Sn5 51.45(6) 2_665 1_655
Sn2 Ca3 Sn5 107.99(15) 2_565 1_655
Sn2 Ca3 Sn5 51.45(6) 1_655 1_655
Sn2 Ca3 Sn5 107.99(15) . 1_655
Sn5 Ca3 Sn5 84.82(16) . 1_655
Li2 Ca3 Sn3 52.53(9) 1_554 1_554
Sn2 Ca3 Sn3 153.37(19) 2_665 1_554
Sn2 Ca3 Sn3 89.94(5) 2_565 1_554
Sn2 Ca3 Sn3 105.07(7) 1_655 1_554
Sn2 Ca3 Sn3 50.58(5) . 1_554
Sn5 Ca3 Sn3 90.71(4) . 1_554
Sn5 Ca3 Sn3 152.37(6) 1_655 1_554
Li2 Ca3 Sn3 52.53(9) 1_554 2_564
Sn2 Ca3 Sn3 105.07(7) 2_665 2_564
Sn2 Ca3 Sn3 50.58(5) 2_565 2_564
Sn2 Ca3 Sn3 153.37(19) 1_655 2_564
Sn2 Ca3 Sn3 89.94(5) . 2_564
Sn5 Ca3 Sn3 90.71(4) . 2_564
Sn5 Ca3 Sn3 152.37(6) 1_655 2_564
Sn3 Ca3 Sn3 54.62(8) 1_554 2_564
Li2 Ca3 Sn3 52.53(10) 1_554 2_664
Sn2 Ca3 Sn3 50.58(5) 2_665 2_664
Sn2 Ca3 Sn3 105.07(7) 2_565 2_664
Sn2 Ca3 Sn3 89.94(5) 1_655 2_664
Sn2 Ca3 Sn3 153.37(19) . 2_664
Sn5 Ca3 Sn3 152.37(6) . 2_664
Sn5 Ca3 Sn3 90.71(4) 1_655 2_664
Sn3 Ca3 Sn3 105.06(19) 1_554 2_664
Sn3 Ca3 Sn3 80.72(13) 2_564 2_664
Li2 Ca3 Sn3 52.53(10) 1_554 1_654
Sn2 Ca3 Sn3 89.94(5) 2_665 1_654
Sn2 Ca3 Sn3 153.37(19) 2_565 1_654
Sn2 Ca3 Sn3 50.58(5) 1_655 1_654
Sn2 Ca3 Sn3 105.07(7) . 1_654
Sn5 Ca3 Sn3 152.37(6) . 1_654
Sn5 Ca3 Sn3 90.71(4) 1_655 1_654
Sn3 Ca3 Sn3 80.72(13) 1_554 1_654
Sn3 Ca3 Sn3 105.06(19) 2_564 1_654
Sn3 Ca3 Sn3 54.62(8) 2_664 1_654
Li2 Ca3 Ca1 76.00(11) 1_554 2_665
Sn2 Ca3 Ca1 51.77(4) 2_665 2_665
Sn2 Ca3 Ca1 51.77(4) 2_565 2_665
Sn2 Ca3 Ca1 136.205(19) 1_655 2_665
Sn2 Ca3 Ca1 136.205(19) . 2_665
Sn5 Ca3 Ca1 100.29(7) . 2_665
Sn5 Ca3 Ca1 100.29(7) 1_655 2_665
Sn3 Ca3 Ca1 107.34(13) 1_554 2_665
Sn3 Ca3 Ca1 53.68(6) 2_564 2_665
Sn3 Ca3 Ca1 53.68(6) 2_664 2_665
Sn3 Ca3 Ca1 107.34(13) 1_654 2_665
Sn4 Ca4 Sn1 99.65(12) . 1_655
Sn4 Ca4 Sn1 99.65(12) . 2
Sn1 Ca4 Sn1 160.7(2) 1_655 2
Sn4 Ca4 Sn1 99.65(12) . 2_655
Sn1 Ca4 Sn1 84.56(5) 1_655 2_655
Sn1 Ca4 Sn1 92.22(6) 2 2_655
Sn4 Ca4 Sn1 99.65(12) . .
Sn1 Ca4 Sn1 92.22(6) 1_655 .
Sn1 Ca4 Sn1 84.56(5) 2 .
Sn1 Ca4 Sn1 160.7(2) 2_655 .
Sn4 Ca4 Sn6 138.21(8) . 1_656
Sn1 Ca4 Sn6 52.76(7) 1_655 1_656
Sn1 Ca4 Sn6 110.81(16) 2 1_656
Sn1 Ca4 Sn6 52.76(6) 2_655 1_656
Sn1 Ca4 Sn6 110.81(16) . 1_656
Sn4 Ca4 Sn6 138.21(8) . 1_556
Sn1 Ca4 Sn6 110.81(16) 1_655 1_556
Sn1 Ca4 Sn6 52.76(6) 2 1_556
Sn1 Ca4 Sn6 110.81(16) 2_655 1_556
Sn1 Ca4 Sn6 52.76(7) . 1_556
Sn6 Ca4 Sn6 83.58(16) 1_656 1_556
Sn4 Ca4 Li1 51.6(13) . .
Sn1 Ca4 Li1 104.7(5) 1_655 .
Sn1 Ca4 Li1 87.4(5) 2 .
Sn1 Ca4 Li1 150.5(13) 2_655 .
Sn1 Ca4 Li1 48.5(13) . .
Sn6 Ca4 Li1 152.4(8) 1_656 .
Sn6 Ca4 Li1 92.3(12) 1_556 .
Sn4 Ca4 Li1 51.6(13) . 2
Sn1 Ca4 Li1 150.5(13) 1_655 2
Sn1 Ca4 Li1 48.5(13) 2 2
Sn1 Ca4 Li1 104.7(5) 2_655 2
Sn1 Ca4 Li1 87.4(5) . 2
Sn6 Ca4 Li1 152.4(8) 1_656 2
Sn6 Ca4 Li1 92.3(12) 1_556 2
Li1 Ca4 Li1 54.6(14) . 2
Sn4 Ca4 Li1 51.6(13) . 2_655
Sn1 Ca4 Li1 87.4(5) 1_655 2_655
Sn1 Ca4 Li1 104.7(5) 2 2_655
Sn1 Ca4 Li1 48.5(13) 2_655 2_655
Sn1 Ca4 Li1 150.5(13) . 2_655
Sn6 Ca4 Li1 92.3(12) 1_656 2_655
Sn6 Ca4 Li1 152.4(8) 1_556 2_655
Li1 Ca4 Li1 103(3) . 2_655
Li1 Ca4 Li1 78.9(17) 2 2_655
Sn4 Ca4 Li1 51.6(13) . 1_655
Sn1 Ca4 Li1 48.5(13) 1_655 1_655
Sn1 Ca4 Li1 150.5(13) 2 1_655
Sn1 Ca4 Li1 87.4(5) 2_655 1_655
Sn1 Ca4 Li1 104.7(5) . 1_655
Sn6 Ca4 Li1 92.3(12) 1_656 1_655
Sn6 Ca4 Li1 152.4(8) 1_556 1_655
Li1 Ca4 Li1 78.9(17) . 1_655
Li1 Ca4 Li1 103(3) 2 1_655
Li1 Ca4 Li1 54.6(14) 2_655 1_655
Sn4 Ca4 Ca1 134.66(10) . 1_556
Sn1 Ca4 Ca1 53.40(7) 1_655 1_556
Sn1 Ca4 Ca1 111.14(16) 2 1_556
Sn1 Ca4 Ca1 111.14(16) 2_655 1_556
Sn1 Ca4 Ca1 53.40(7) . 1_556
Sn6 Ca4 Ca1 58.39(10) 1_656 1_556
Sn6 Ca4 Ca1 58.39(10) 1_556 1_556
Li1 Ca4 Ca1 96.3(11) . 1_556
Li1 Ca4 Ca1 139.7(7) 2 1_556
Li1 Ca4 Ca1 139.7(7) 2_655 1_556
Li1 Ca4 Ca1 96.3(11) 1_655 1_556
Sn2 Li1 Sn1 99.3(19) . .
Sn2 Li1 Sn4 115(2) . 1_455
Sn1 Li1 Sn4 114(2) . 1_455
Sn2 Li1 Sn4 115(2) . .
Sn1 Li1 Sn4 114(2) . .
Sn4 Li1 Sn4 100.9(18) 1_455 .
Sn2 Li1 Sn6 102(3) . .
Sn1 Li1 Sn6 158.9(18) . .
Sn4 Li1 Sn6 56.6(14) 1_455 .
Sn4 Li1 Sn6 56.6(14) . .
Sn2 Li1 Li1 161(2) . 2
Sn1 Li1 Li1 99.9(8) . 2
Sn4 Li1 Li1 56.2(7) 1_455 2
Sn4 Li1 Li1 56.2(7) . 2
Sn6 Li1 Li1 59.0(11) . 2
Sn2 Li1 Ca2 60.8(7) . 1_455
Sn1 Li1 Ca2 61.1(14) . 1_455
Sn4 Li1 Ca2 88.1(3) 1_455 1_455
Sn4 Li1 Ca2 170.9(18) . 1_455
Sn6 Li1 Ca2 131.1(18) . 1_455
Li1 Li1 Ca2 130.4(7) 2 1_455
Sn2 Li1 Ca2 60.8(7) . .
Sn1 Li1 Ca2 61.1(14) . .
Sn4 Li1 Ca2 170.9(18) 1_455 .
Sn4 Li1 Ca2 88.1(3) . .
Sn6 Li1 Ca2 131.1(18) . .
Li1 Li1 Ca2 130.4(7) 2 .
Ca2 Li1 Ca2 82.8(13) 1_455 .
Sn2 Li1 Ca4 129.6(14) . .
Sn1 Li1 Ca4 57.8(15) . .
Sn4 Li1 Ca4 115.2(14) 1_455 .
Sn4 Li1 Ca4 56.4(8) . .
Sn6 Li1 Ca4 107.2(9) . .
Li1 Li1 Ca4 62.7(7) 2 .
Ca2 Li1 Ca4 119(3) 1_455 .
Ca2 Li1 Ca4 69.0(12) . .
Sn2 Li1 Ca4 129.6(14) . 1_455
Sn1 Li1 Ca4 57.8(15) . 1_455
Sn4 Li1 Ca4 56.4(8) 1_455 1_455
Sn4 Li1 Ca4 115.2(14) . 1_455
Sn6 Li1 Ca4 107.2(9) . 1_455
Li1 Li1 Ca4 62.7(7) 2 1_455
Ca2 Li1 Ca4 69.0(12) 1_455 1_455
Ca2 Li1 Ca4 119(3) . 1_455
Ca4 Li1 Ca4 78.9(17) . 1_455
Sn2 Li1 Ca1 58.2(13) . 1_455
Sn1 Li1 Ca1 130.1(11) . 1_455
Sn4 Li1 Ca1 57.8(12) 1_455 1_455
Sn4 Li1 Ca1 116(3) . 1_455
Sn6 Li1 Ca1 63.4(17) . 1_455
Li1 Li1 Ca1 108.2(6) 2 1_455
Ca2 Li1 Ca1 69.4(6) 1_455 1_455
Ca2 Li1 Ca1 119.0(13) . 1_455
Ca4 Li1 Ca1 170.2(19) . 1_455
Ca4 Li1 Ca1 100.4(2) 1_455 1_455
Sn2 Li1 Ca1 58.2(13) . .
Sn1 Li1 Ca1 130.1(11) . .
Sn4 Li1 Ca1 116(3) 1_455 .
Sn4 Li1 Ca1 57.8(12) . .
Sn6 Li1 Ca1 63.4(17) . .
Li1 Li1 Ca1 108.2(6) 2 .
Ca2 Li1 Ca1 119.0(13) 1_455 .
Ca2 Li1 Ca1 69.4(6) . .
Ca4 Li1 Ca1 100.4(2) . .
Ca4 Li1 Ca1 170.2(19) 1_455 .
Ca1 Li1 Ca1 78.5(19) 1_455 .
Sn5 Li2 Sn5 102(3) 1_655 .
Sn5 Li2 Sn3 67.9(4) 1_655 2_665
Sn5 Li2 Sn3 144.4(17) . 2_665
Sn5 Li2 Sn3 144.4(17) 1_655 .
Sn5 Li2 Sn3 67.9(4) . .
Sn3 Li2 Sn3 139(4) 2_665 .
Sn5 Li2 Sn3 67.9(4) 1_655 1_655
Sn5 Li2 Sn3 144.4(17) . 1_655
Sn3 Li2 Sn3 65.6(8) 2_665 1_655
Sn3 Li2 Sn3 99.8(16) . 1_655
Sn5 Li2 Sn3 144.4(17) 1_655 2_565
Sn5 Li2 Sn3 67.9(4) . 2_565
Sn3 Li2 Sn3 99.8(16) 2_665 2_565
Sn3 Li2 Sn3 65.6(8) . 2_565
Sn3 Li2 Sn3 139(4) 1_655 2_565
Sn5 Li2 Ca2 72.7(15) 1_655 .
Sn5 Li2 Ca2 72.7(15) . .
Sn3 Li2 Ca2 129.9(5) 2_665 .
Sn3 Li2 Ca2 71.7(2) . .
Sn3 Li2 Ca2 71.7(2) 1_655 .
Sn3 Li2 Ca2 129.9(5) 2_565 .
Sn5 Li2 Ca2 72.7(15) 1_655 2_665
Sn5 Li2 Ca2 72.7(15) . 2_665
Sn3 Li2 Ca2 71.7(2) 2_665 2_665
Sn3 Li2 Ca2 129.9(5) . 2_665
Sn3 Li2 Ca2 129.9(5) 1_655 2_665
Sn3 Li2 Ca2 71.7(2) 2_565 2_665
Ca2 Li2 Ca2 124(3) . 2_665
Sn5 Li2 Ca3 129.0(15) 1_655 1_556
Sn5 Li2 Ca3 129.0(15) . 1_556
Sn3 Li2 Ca3 69.6(18) 2_665 1_556
Sn3 Li2 Ca3 69.6(18) . 1_556
Sn3 Li2 Ca3 69.6(18) 1_655 1_556
Sn3 Li2 Ca3 69.6(18) 2_565 1_556
Ca2 Li2 Ca3 118.2(16) . 1_556
Ca2 Li2 Ca3 118.2(16) 2_665 1_556
Li1 Sn1 Sn6 123.6(8) . 1_556
Li1 Sn1 Sn3 119.7(8) . .
Sn6 Sn1 Sn3 116.72(8) 1_556 .
Li1 Sn1 Ca4 73.7(5) . 1_455
Sn6 Sn1 Ca4 68.13(11) 1_556 1_455
Sn3 Sn1 Ca4 133.61(4) . 1_455
Li1 Sn1 Ca4 73.7(5) . .
Sn6 Sn1 Ca4 68.13(10) 1_556 .
Sn3 Sn1 Ca4 133.61(4) . .
Ca4 Sn1 Ca4 92.22(6) 1_455 .
Li1 Sn1 Ca2 69.4(5) . 1_455
Sn6 Sn1 Ca2 134.84(6) 1_556 1_455
Sn3 Sn1 Ca2 69.01(10) . 1_455
Ca4 Sn1 Ca2 77.27(9) 1_455 1_455
Ca4 Sn1 Ca2 143.09(15) . 1_455
Li1 Sn1 Ca2 69.4(5) . .
Sn6 Sn1 Ca2 134.84(6) 1_556 .
Sn3 Sn1 Ca2 69.01(10) . .
Ca4 Sn1 Ca2 143.09(15) 1_455 .
Ca4 Sn1 Ca2 77.27(9) . .
Ca2 Sn1 Ca2 90.08(12) 1_455 .
Li1 Sn1 Ca1 134.89(10) . 1_556
Sn6 Sn1 Ca1 70.99(8) 1_556 1_556
Sn3 Sn1 Ca1 65.35(8) . 1_556
Ca4 Sn1 Ca1 139.03(13) 1_455 1_556
Ca4 Sn1 Ca1 74.93(11) . 1_556
Ca2 Sn1 Ca1 134.34(12) 1_455 1_556
Ca2 Sn1 Ca1 72.68(9) . 1_556
Li1 Sn1 Ca1 134.89(10) . 1_456
Sn6 Sn1 Ca1 70.99(8) 1_556 1_456
Sn3 Sn1 Ca1 65.35(8) . 1_456
Ca4 Sn1 Ca1 74.93(11) 1_455 1_456
Ca4 Sn1 Ca1 139.03(13) . 1_456
Ca2 Sn1 Ca1 72.68(9) 1_455 1_456
Ca2 Sn1 Ca1 134.33(12) . 1_456
Ca1 Sn1 Ca1 89.53(11) 1_556 1_456
Li1 Sn2 Sn5 123(2) . .
Li1 Sn2 Sn3 122(2) . 1_554
Sn5 Sn2 Sn3 115.05(6) . 1_554
Li1 Sn2 Ca1 74.1(14) . 1_455
Sn5 Sn2 Ca1 133.50(6) . 1_455
Sn3 Sn2 Ca1 66.68(8) 1_554 1_455
Li1 Sn2 Ca1 74.1(14) . .
Sn5 Sn2 Ca1 133.50(6) . .
Sn3 Sn2 Ca1 66.68(8) 1_554 .
Ca1 Sn2 Ca1 91.48(11) 1_455 .
Li1 Sn2 Ca2 70.0(13) . .
Sn5 Sn2 Ca2 70.57(9) . .
Sn3 Sn2 Ca2 134.50(6) 1_554 .
Ca1 Sn2 Ca2 144.12(12) 1_455 .
Ca1 Sn2 Ca2 77.89(9) . .
Li1 Sn2 Ca2 70.0(13) . 1_455
Sn5 Sn2 Ca2 70.57(9) . 1_455
Sn3 Sn2 Ca2 134.50(6) 1_554 1_455
Ca1 Sn2 Ca2 77.89(9) 1_455 1_455
Ca1 Sn2 Ca2 144.12(12) . 1_455
Ca2 Sn2 Ca2 90.82(12) . 1_455
Li1 Sn2 Ca3 136.25(9) . 1_455
Sn5 Sn2 Ca3 65.71(9) . 1_455
Sn3 Sn2 Ca3 68.63(11) 1_554 1_455
Ca1 Sn2 Ca3 73.73(9) 1_455 1_455
Ca1 Sn2 Ca3 135.19(13) . 1_455
Ca2 Sn2 Ca3 136.28(13) . 1_455
Ca2 Sn2 Ca3 74.85(11) 1_455 1_455
Li1 Sn2 Ca3 136.25(9) . .
Sn5 Sn2 Ca3 65.71(9) . .
Sn3 Sn2 Ca3 68.63(11) 1_554 .
Ca1 Sn2 Ca3 135.19(13) 1_455 .
Ca1 Sn2 Ca3 73.73(9) . .
Ca2 Sn2 Ca3 74.85(11) . .
Ca2 Sn2 Ca3 136.28(13) 1_455 .
Ca3 Sn2 Ca3 87.41(6) 1_455 .
Sn2 Sn3 Sn1 96.62(6) 1_556 .
Sn2 Sn3 Li2 117.5(18) 1_556 .
Sn1 Sn3 Li2 113.1(10) . .
Sn2 Sn3 Li2 117.5(17) 1_556 1_455
Sn1 Sn3 Li2 113.1(10) . 1_455
Li2 Sn3 Li2 99.8(16) . 1_455
Sn2 Sn3 Sn3 103.15(4) 1_556 2_565
Sn1 Sn3 Sn3 160.23(7) . 2_565
Li2 Sn3 Sn3 57.2(4) . 2_565
Li2 Sn3 Sn3 57.2(4) 1_455 2_565
Sn2 Sn3 Ca1 60.41(8) 1_556 1_456
Sn1 Sn3 Ca1 61.07(7) . 1_456
Li2 Sn3 Ca1 172.37(19) . 1_456
Li2 Sn3 Ca1 87.3(7) 1_455 1_456
Sn3 Sn3 Ca1 129.97(6) 2_565 1_456
Sn2 Sn3 Ca1 60.41(8) 1_556 1_556
Sn1 Sn3 Ca1 61.07(7) . 1_556
Li2 Sn3 Ca1 87.3(7) . 1_556
Li2 Sn3 Ca1 172.37(19) 1_455 1_556
Sn3 Sn3 Ca1 129.97(7) 2_565 1_556
Ca1 Sn3 Ca1 85.39(11) 1_456 1_556
Sn2 Sn3 Ca2 127.88(8) 1_556 1_455
Sn1 Sn3 Ca2 58.79(9) . 1_455
Li2 Sn3 Ca2 114.5(18) . 1_455
Li2 Sn3 Ca2 54.7(12) 1_455 1_455
Sn3 Sn3 Ca2 107.39(8) 2_565 1_455
Ca1 Sn3 Ca2 67.57(9) 1_456 1_455
Ca1 Sn3 Ca2 119.84(11) 1_556 1_455
Sn2 Sn3 Ca2 127.88(8) 1_556 .
Sn1 Sn3 Ca2 58.79(9) . .
Li2 Sn3 Ca2 54.7(12) . .
Li2 Sn3 Ca2 114.5(18) 1_455 .
Sn3 Sn3 Ca2 107.39(8) 2_565 .
Ca1 Sn3 Ca2 119.85(11) 1_456 .
Ca1 Sn3 Ca2 67.57(9) 1_556 .
Ca2 Sn3 Ca2 80.81(12) 1_455 .
Sn2 Sn3 Ca3 60.79(10) 1_556 1_556
Sn1 Sn3 Ca3 129.61(5) . 1_556
Li2 Sn3 Ca3 57.8(17) . 1_556
Li2 Sn3 Ca3 117.3(10) 1_455 1_556
Sn3 Sn3 Ca3 62.69(4) 2_565 1_556
Ca1 Sn3 Ca3 121.11(14) 1_456 1_556
Ca1 Sn3 Ca3 68.80(8) 1_556 1_556
Ca2 Sn3 Ca3 169.41(12) 1_455 1_556
Ca2 Sn3 Ca3 98.24(9) . 1_556
Sn2 Sn3 Ca3 60.79(10) 1_556 1_456
Sn1 Sn3 Ca3 129.61(5) . 1_456
Li2 Sn3 Ca3 117.3(9) . 1_456
Li2 Sn3 Ca3 57.8(17) 1_455 1_456
Sn3 Sn3 Ca3 62.69(4) 2_565 1_456
Ca1 Sn3 Ca3 68.80(8) 1_456 1_456
Ca1 Sn3 Ca3 121.11(14) 1_556 1_456
Ca2 Sn3 Ca3 98.24(9) 1_455 1_456
Ca2 Sn3 Ca3 169.41(12) . 1_456
Ca3 Sn3 Ca3 80.72(13) 1_556 1_456
Sn6 Sn4 Sn6 102.51(15) . 1_655
Sn6 Sn4 Li1 142.6(14) . 1_655
Sn6 Sn4 Li1 65.9(17) 1_655 1_655
Sn6 Sn4 Li1 65.9(17) . 2
Sn6 Sn4 Li1 142.6(14) 1_655 2
Li1 Sn4 Li1 144(4) 1_655 2
Sn6 Sn4 Li1 142.6(14) . 2_655
Sn6 Sn4 Li1 65.9(17) 1_655 2_655
Li1 Sn4 Li1 67.7(14) 1_655 2_655
Li1 Sn4 Li1 100.9(18) 2 2_655
Sn6 Sn4 Li1 65.9(17) . .
Sn6 Sn4 Li1 142.6(14) 1_655 .
Li1 Sn4 Li1 100.9(18) 1_655 .
Li1 Sn4 Li1 67.7(14) 2 .
Li1 Sn4 Li1 144(4) 2_655 .
Sn6 Sn4 Ca4 128.74(7) . .
Sn6 Sn4 Ca4 128.74(7) 1_655 .
Li1 Sn4 Ca4 72(2) 1_655 .
Li1 Sn4 Ca4 72(2) 2 .
Li1 Sn4 Ca4 72(2) 2_655 .
Li1 Sn4 Ca4 72(2) . .
Sn6 Sn4 Ca1 71.38(7) . .
Sn6 Sn4 Ca1 71.38(7) 1_655 .
Li1 Sn4 Ca1 71.2(14) 1_655 .
Li1 Sn4 Ca1 129.5(9) 2 .
Li1 Sn4 Ca1 129.5(9) 2_655 .
Li1 Sn4 Ca1 71.2(14) . .
Ca4 Sn4 Ca1 120.67(9) . .
Sn6 Sn4 Ca1 71.38(7) . 2_655
Sn6 Sn4 Ca1 71.38(7) 1_655 2_655
Li1 Sn4 Ca1 129.5(9) 1_655 2_655
Li1 Sn4 Ca1 71.2(14) 2 2_655
Li1 Sn4 Ca1 71.2(14) 2_655 2_655
Li1 Sn4 Ca1 129.5(9) . 2_655
Ca4 Sn4 Ca1 120.67(9) . 2_655
Ca1 Sn4 Ca1 118.66(18) . 2_655
Sn2 Sn5 Sn2 103.60(8) 2_565 .
Sn2 Sn5 Li2 112.9(8) 2_565 1_455
Sn2 Sn5 Li2 112.9(8) . 1_455
Sn2 Sn5 Li2 112.9(8) 2_565 .
Sn2 Sn5 Li2 112.9(8) . .
Li2 Sn5 Li2 102(3) 1_455 .
Sn2 Sn5 Ca3 62.83(5) 2_565 1_455
Sn2 Sn5 Ca3 62.83(5) . 1_455
Li2 Sn5 Ca3 86.6(15) 1_455 1_455
Li2 Sn5 Ca3 171.4(15) . 1_455
Sn2 Sn5 Ca3 62.83(5) 2_565 .
Sn2 Sn5 Ca3 62.83(5) . .
Li2 Sn5 Ca3 171.4(15) 1_455 .
Li2 Sn5 Ca3 86.6(15) . .
Ca3 Sn5 Ca3 84.82(16) 1_455 .
Sn2 Sn5 Ca2 131.80(8) 2_565 .
Sn2 Sn5 Ca2 58.70(7) . .
Li2 Sn5 Ca2 115.2(8) 1_455 .
Li2 Sn5 Ca2 54.8(6) . .
Ca3 Sn5 Ca2 121.53(9) 1_455 .
Ca3 Sn5 Ca2 69.67(8) . .
Sn2 Sn5 Ca2 58.70(7) 2_565 2_665
Sn2 Sn5 Ca2 131.80(8) . 2_665
Li2 Sn5 Ca2 115.2(8) 1_455 2_665
Li2 Sn5 Ca2 54.8(6) . 2_665
Ca3 Sn5 Ca2 121.53(9) 1_455 2_665
Ca3 Sn5 Ca2 69.67(8) . 2_665
Ca2 Sn5 Ca2 97.99(11) . 2_665
Sn2 Sn5 Ca2 131.80(8) 2_565 1_455
Sn2 Sn5 Ca2 58.70(7) . 1_455
Li2 Sn5 Ca2 54.8(6) 1_455 1_455
Li2 Sn5 Ca2 115.2(8) . 1_455
Ca3 Sn5 Ca2 69.67(8) 1_455 1_455
Ca3 Sn5 Ca2 121.53(9) . 1_455
Ca2 Sn5 Ca2 80.37(11) . 1_455
Ca2 Sn5 Ca2 166.34(16) 2_665 1_455
Sn2 Sn5 Ca2 58.70(7) 2_565 2_565
Sn2 Sn5 Ca2 131.80(8) . 2_565
Li2 Sn5 Ca2 54.8(6) 1_455 2_565
Li2 Sn5 Ca2 115.2(8) . 2_565
Ca3 Sn5 Ca2 69.67(8) 1_455 2_565
Ca3 Sn5 Ca2 121.53(9) . 2_565
Ca2 Sn5 Ca2 166.34(16) . 2_565
Ca2 Sn5 Ca2 80.37(11) 2_665 2_565
Ca2 Sn5 Ca2 97.99(11) 1_455 2_565
Sn4 Sn6 Sn4 102.51(15) 1_455 .
Sn4 Sn6 Sn1 115.53(4) 1_455 2_554
Sn4 Sn6 Sn1 115.53(4) . 2_554
Sn4 Sn6 Sn1 115.53(4) 1_455 1_554
Sn4 Sn6 Sn1 115.53(4) . 1_554
Sn1 Sn6 Sn1 92.97(8) 2_554 1_554
Sn4 Sn6 Li1 57.5(4) 1_455 2
Sn4 Sn6 Li1 57.5(4) . 2
Sn1 Sn6 Li1 102.5(11) 2_554 2
Sn1 Sn6 Li1 164.5(11) 1_554 2
Sn4 Sn6 Li1 57.5(4) 1_455 .
Sn4 Sn6 Li1 57.5(4) . .
Sn1 Sn6 Li1 164.5(11) 2_554 .
Sn1 Sn6 Li1 102.5(11) 1_554 .
Li1 Sn6 Li1 62(2) 2 .
Sn4 Sn6 Ca4 86.95(11) 1_455 1_454
Sn4 Sn6 Ca4 170.53(11) . 1_454
Sn1 Sn6 Ca4 59.11(6) 2_554 1_454
Sn1 Sn6 Ca4 59.11(6) 1_554 1_454
Li1 Sn6 Ca4 129.7(5) 2 1_454
Li1 Sn6 Ca4 129.7(5) . 1_454
Sn4 Sn6 Ca4 170.53(11) 1_455 1_554
Sn4 Sn6 Ca4 86.95(11) . 1_554
Sn1 Sn6 Ca4 59.11(6) 2_554 1_554
Sn1 Sn6 Ca4 59.11(6) 1_554 1_554
Li1 Sn6 Ca4 129.7(5) 2 1_554
Li1 Sn6 Ca4 129.7(6) . 1_554
Ca4 Sn6 Ca4 83.58(16) 1_454 1_554
Sn4 Sn6 Ca1 117.55(8) 1_455 .
Sn4 Sn6 Ca1 58.16(6) . .
Sn1 Sn6 Ca1 126.51(8) 2_554 .
Sn1 Sn6 Ca1 58.44(6) 1_554 .
Li1 Sn6 Ca1 110.6(8) 2 .
Li1 Sn6 Ca1 63.8(8) . .
Ca4 Sn6 Ca1 117.50(8) 1_454 .
Ca4 Sn6 Ca1 67.41(8) 1_554 .
Sn4 Sn6 Ca1 58.16(6) 1_455 2
Sn4 Sn6 Ca1 117.55(8) . 2
Sn1 Sn6 Ca1 58.44(6) 2_554 2
Sn1 Sn6 Ca1 126.51(8) 1_554 2
Li1 Sn6 Ca1 63.8(8) 2 2
Li1 Sn6 Ca1 110.6(8) . 2
Ca4 Sn6 Ca1 67.41(8) 1_454 2
Ca4 Sn6 Ca1 117.50(8) 1_554 2
Ca1 Sn6 Ca1 174.04(15) . 2
Sn4 Sn6 Ca1 58.16(6) 1_455 1_455
Sn4 Sn6 Ca1 117.55(8) . 1_455
Sn1 Sn6 Ca1 126.51(8) 2_554 1_455
Sn1 Sn6 Ca1 58.44(6) 1_554 1_455
Li1 Sn6 Ca1 110.6(8) 2 1_455
Li1 Sn6 Ca1 63.8(8) . 1_455
Ca4 Sn6 Ca1 67.41(8) 1_454 1_455
Ca4 Sn6 Ca1 117.50(8) 1_554 1_455
Ca1 Sn6 Ca1 78.79(9) . 1_455
Ca1 Sn6 Ca1 100.90(9) 2 1_455
Sn4 Sn6 Ca1 117.55(8) 1_455 2_655
Sn4 Sn6 Ca1 58.16(6) . 2_655
Sn1 Sn6 Ca1 58.44(6) 2_554 2_655
Sn1 Sn6 Ca1 126.51(8) 1_554 2_655
Li1 Sn6 Ca1 63.8(8) 2 2_655
Li1 Sn6 Ca1 110.6(8) . 2_655
Ca4 Sn6 Ca1 117.50(8) 1_454 2_655
Ca4 Sn6 Ca1 67.41(8) 1_554 2_655
Ca1 Sn6 Ca1 100.90(9) . 2_655
Ca1 Sn6 Ca1 78.79(9) 2 2_655
Ca1 Sn6 Ca1 174.04(15) 1_455 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ca1 Sn2 3.239(3) .
Ca1 Sn2 3.239(3) 1_655
Ca1 Sn4 3.276(5) .
Ca1 Sn1 3.294(3) 1_554
Ca1 Sn1 3.294(3) 1_654
Ca1 Sn3 3.421(3) 1_654
Ca1 Sn3 3.421(3) 1_554
Ca1 Sn6 3.655(3) .
Ca1 Sn6 3.655(3) 1_655
Ca1 Li1 3.67(8) 1_655
Ca1 Li1 3.67(8) .
Ca1 Ca2 3.894(6) 1_554
Ca2 Li2 3.08(5) .
Ca2 Sn2 3.257(3) 1_655
Ca2 Sn2 3.257(3) .
Ca2 Sn1 3.278(3) .
Ca2 Sn1 3.278(3) 1_655
Ca2 Li1 3.51(5) .
Ca2 Li1 3.51(5) 1_655
Ca2 Sn3 3.578(4) 1_655
Ca2 Sn3 3.578(4) .
Ca2 Sn5 3.595(4) 1_655
Ca2 Sn5 3.595(4) .
Ca2 Ca1 3.894(6) 1_556
Ca3 Li2 3.23(10) 1_554
Ca3 Sn2 3.3570(17) 2_665
Ca3 Sn2 3.3570(17) 2_565
Ca3 Sn2 3.3570(17) 1_655
Ca3 Sn2 3.3570(17) .
Ca3 Sn5 3.439(5) .
Ca3 Sn5 3.439(5) 1_655
Ca3 Sn3 3.582(5) 1_554
Ca3 Sn3 3.582(5) 2_564
Ca3 Sn3 3.582(5) 2_664
Ca3 Sn3 3.582(5) 1_654
Ca3 Ca1 3.958(5) 2_665
Ca4 Sn4 3.195(9) .
Ca4 Sn1 3.2187(15) 1_655
Ca4 Sn1 3.2187(15) 2
Ca4 Sn1 3.2187(15) 2_655
Ca4 Sn1 3.2187(15) .
Ca4 Sn6 3.481(5) 1_656
Ca4 Sn6 3.481(5) 1_556
Ca4 Li1 3.65(7) .
Ca4 Li1 3.65(7) 2
Ca4 Li1 3.65(7) 2_655
Ca4 Li1 3.65(7) 1_655
Ca4 Ca1 3.962(7) 1_556
Li1 Sn2 2.82(5) .
Li1 Sn1 2.85(10) .
Li1 Sn4 3.01(4) 1_455
Li1 Sn4 3.01(4) .
Li1 Sn6 3.25(9) .
Li1 Li1 3.35(7) 2
Li1 Ca2 3.51(5) 1_455
Li1 Ca4 3.65(7) 1_455
Li1 Ca1 3.67(8) 1_455
Li2 Sn5 2.99(6) 1_655
Li2 Sn5 2.99(6) .
Li2 Sn3 3.03(3) 2_665
Li2 Sn3 3.03(3) .
Li2 Sn3 3.03(3) 1_655
Li2 Sn3 3.03(3) 2_565
Li2 Ca2 3.08(5) 2_665
Li2 Ca3 3.23(10) 1_556
Sn1 Sn6 2.986(2) 1_556
Sn1 Sn3 3.028(2) .
Sn1 Ca4 3.2187(16) 1_455
Sn1 Ca2 3.278(3) 1_455
Sn1 Ca1 3.294(3) 1_556
Sn1 Ca1 3.294(3) 1_456
Sn2 Sn5 2.9511(19) .
Sn2 Sn3 2.971(3) 1_554
Sn2 Ca1 3.239(3) 1_455
Sn2 Ca2 3.257(3) 1_455
Sn2 Ca3 3.3570(17) 1_455
Sn3 Sn2 2.971(3) 1_556
Sn3 Li2 3.03(3) 1_455
Sn3 Sn3 3.287(3) 2_565
Sn3 Ca1 3.421(3) 1_456
Sn3 Ca1 3.421(3) 1_556
Sn3 Ca2 3.578(4) 1_455
Sn3 Ca3 3.582(5) 1_556
Sn3 Ca3 3.582(5) 1_456
Sn4 Sn6 2.974(3) .
Sn4 Sn6 2.974(3) 1_655
Sn4 Li1 3.01(4) 1_655
Sn4 Li1 3.01(4) 2
Sn4 Li1 3.01(4) 2_655
Sn4 Ca1 3.276(5) 2_655
Sn5 Sn2 2.9511(19) 2_565
Sn5 Li2 2.99(6) 1_455
Sn5 Ca3 3.439(5) 1_455
Sn5 Ca2 3.595(4) 2_665
Sn5 Ca2 3.595(4) 1_455
Sn5 Ca2 3.595(4) 2_565
Sn6 Sn4 2.974(3) 1_455
Sn6 Sn1 2.986(2) 2_554
Sn6 Sn1 2.986(2) 1_554
Sn6 Li1 3.25(9) 2
Sn6 Ca4 3.481(5) 1_454
Sn6 Ca4 3.481(5) 1_554
Sn6 Ca1 3.655(3) 2
Sn6 Ca1 3.655(3) 1_455
Sn6 Ca1 3.655(3) 2_655
