#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:44:44 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224564 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/09/7700963.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_7700963
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            'Ca8.85 Li2 Sn10'
_chemical_formula_weight         1555.29
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_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                 101.6030(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.547(2)
_cell_length_b                   4.7638(5)
_cell_length_c                   11.4870(11)
_cell_measurement_reflns_used    5498
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.31
_cell_volume                     1208.6(2)
_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 0.999
_diffrn_measured_fraction_theta_max 0.984
_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  0.0217
_diffrn_reflns_av_unetI/netI     0.0165
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11062
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.628
_diffrn_reflns_theta_min         1.810
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    12.000
_exptl_absorpt_correction_T_max  0.27
_exptl_absorpt_correction_T_min  0.20
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    4.274
_exptl_crystal_description       block
_exptl_crystal_F_000             1366
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.948
_refine_diff_density_min         -0.904
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         2035
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0202
_refine_ls_R_factor_gt           0.0182
_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)+(0.0189P)²+0.8825P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0392
_refine_ls_wR_factor_ref         0.0398
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1908
_reflns_number_total             2035
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt02803j2.cif
_cod_data_source_block           shelx_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7700960--7700963.cif.'
_cod_database_code               7700963
_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   0.305
_shelx_estimated_absorpt_t_max   0.585
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ca1 Ca 0.05516(3) 0.0000 0.65052(6) 0.01104(14) Uani 1 2 d S T P
Ca2 Ca 0.10531(3) 0.0000 0.30789(7) 0.01183(14) Uani 1 2 d S T P
Ca3 Ca 0.20805(3) 0.0000 0.09185(6) 0.01081(13) Uani 1 2 d S T P
Ca4 Ca 0.30477(3) 0.0000 0.40252(7) 0.01228(14) Uani 1 2 d S T P
Ca5 Ca 0.0000 0.0000 0.0000 0.0139(4) Uani 0.843(5) 4 d S T P
Li1 Li 0.3689(3) 0.0000 0.1334(6) 0.0178(14) Uani 1 2 d S T P
Sn1 Sn 0.19131(2) 0.0000 0.80240(2) 0.01016(6) Uani 1 2 d S T P
Sn2 Sn 0.29465(2) 0.0000 0.68522(2) 0.01022(6) Uani 1 2 d S T P
Sn3 Sn 0.44453(2) 0.0000 0.54418(2) 0.00997(6) Uani 1 2 d S T P
Sn4 Sn 0.49905(2) 0.0000 0.20321(2) 0.01051(6) Uani 1 2 d S T P
Sn5 Sn 0.60780(2) 0.0000 0.10164(2) 0.01033(6) Uani 1 2 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
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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
Sn1 Ca1 Sn3 103.795(16) . 7_546
Sn1 Ca1 Sn3 103.795(16) . 7_556
Sn3 Ca1 Sn3 93.57(2) 7_546 7_556
Sn1 Ca1 Sn4 97.778(17) . 7_556
Sn3 Ca1 Sn4 158.36(2) 7_546 7_556
Sn3 Ca1 Sn4 82.757(10) 7_556 7_556
Sn1 Ca1 Sn4 97.778(17) . 7_546
Sn3 Ca1 Sn4 82.757(10) 7_546 7_546
Sn3 Ca1 Sn4 158.36(2) 7_556 7_546
Sn4 Ca1 Sn4 92.81(2) 7_556 7_546
Sn1 Ca1 Sn3 136.762(9) . 3_445
Sn3 Ca1 Sn3 50.381(10) 7_546 3_445
Sn3 Ca1 Sn3 110.97(2) 7_556 3_445
Sn4 Ca1 Sn3 111.13(2) 7_556 3_445
Sn4 Ca1 Sn3 51.035(10) 7_546 3_445
Sn1 Ca1 Sn3 136.762(9) . 3_455
Sn3 Ca1 Sn3 110.97(2) 7_546 3_455
Sn3 Ca1 Sn3 50.381(10) 7_556 3_455
Sn4 Ca1 Sn3 51.035(9) 7_556 3_455
Sn4 Ca1 Sn3 111.13(2) 7_546 3_455
Sn3 Ca1 Sn3 86.158(18) 3_445 3_455
Sn1 Ca1 Li1 50.03(8) . 7_556
Sn3 Ca1 Li1 152.20(10) 7_546 7_556
Sn3 Ca1 Li1 85.63(8) 7_556 7_556
Sn4 Ca1 Li1 49.09(9) 7_556 7_556
Sn4 Ca1 Li1 107.45(9) 7_546 7_556
Sn3 Ca1 Li1 153.84(10) 3_445 7_556
Sn3 Ca1 Li1 89.84(7) 3_455 7_556
Sn1 Ca1 Li1 50.03(8) . 7_546
Sn3 Ca1 Li1 85.63(8) 7_546 7_546
Sn3 Ca1 Li1 152.20(10) 7_556 7_546
Sn4 Ca1 Li1 107.45(9) 7_556 7_546
Sn4 Ca1 Li1 49.09(9) 7_546 7_546
Sn3 Ca1 Li1 89.84(7) 3_445 7_546
Sn3 Ca1 Li1 153.84(10) 3_455 7_546
Li1 Ca1 Li1 82.47(14) 7_556 7_546
Sn1 Ca1 Ca2 140.67(3) . 5_556
Sn3 Ca1 Ca2 102.850(17) 7_546 5_556
Sn3 Ca1 Ca2 102.850(17) 7_556 5_556
Sn4 Ca1 Ca2 57.776(13) 7_556 5_556
Sn4 Ca1 Ca2 57.776(13) 7_546 5_556
Sn3 Ca1 Ca2 53.354(12) 3_445 5_556
Sn3 Ca1 Ca2 53.354(12) 3_455 5_556
Li1 Ca1 Ca2 104.42(10) 7_556 5_556
Li1 Ca1 Ca2 104.42(10) 7_546 5_556
Sn1 Ca1 Ca1 150.03(3) . 5_556
Sn3 Ca1 Ca1 58.183(14) 7_546 5_556
Sn3 Ca1 Ca1 58.183(14) 7_556 5_556
Sn4 Ca1 Ca1 102.74(2) 7_556 5_556
Sn4 Ca1 Ca1 102.74(2) 7_546 5_556
Sn3 Ca1 Ca1 52.785(12) 3_445 5_556
Sn3 Ca1 Ca1 52.785(12) 3_455 5_556
Li1 Ca1 Ca1 138.75(7) 7_556 5_556
Li1 Ca1 Ca1 138.75(7) 7_546 5_556
Ca2 Ca1 Ca1 69.30(2) 5_556 5_556
Sn1 Ca1 Ca4 53.111(14) . 7_556
Sn3 Ca1 Ca4 102.36(2) 7_546 7_556
Sn3 Ca1 Ca4 50.720(13) 7_556 7_556
Sn4 Ca1 Ca4 91.816(12) 7_556 7_556
Sn4 Ca1 Ca4 150.89(2) 7_546 7_556
Sn3 Ca1 Ca4 149.68(2) 3_445 7_556
Sn3 Ca1 Ca4 93.969(12) 3_455 7_556
Li1 Ca1 Ca4 56.36(10) 7_556 7_556
Li1 Ca1 Ca4 102.26(9) 7_546 7_556
Ca2 Ca1 Ca4 144.340(9) 5_556 7_556
Ca1 Ca1 Ca4 104.22(2) 5_556 7_556
Sn3 Ca2 Sn3 94.09(2) 7_556 7_546
Sn3 Ca2 Sn2 76.304(10) 7_556 7_556
Sn3 Ca2 Sn2 146.03(3) 7_546 7_556
Sn3 Ca2 Sn2 146.03(3) 7_556 7_546
Sn3 Ca2 Sn2 76.304(10) 7_546 7_546
Sn2 Ca2 Sn2 93.49(2) 7_556 7_546
Sn3 Ca2 Sn5 160.26(2) 7_556 3_445
Sn3 Ca2 Sn5 84.610(10) 7_546 3_445
Sn2 Ca2 Sn5 115.03(2) 7_556 3_445
Sn2 Ca2 Sn5 52.622(9) 7_546 3_445
Sn3 Ca2 Sn5 84.610(10) 7_556 3_455
Sn3 Ca2 Sn5 160.26(2) 7_546 3_455
Sn2 Ca2 Sn5 52.622(9) 7_556 3_455
Sn2 Ca2 Sn5 115.03(2) 7_546 3_455
Sn5 Ca2 Sn5 90.02(2) 3_445 3_455
Sn3 Ca2 Sn4 113.71(2) 7_556 3_445
Sn3 Ca2 Sn4 51.896(10) 7_546 3_445
Sn2 Ca2 Sn4 161.18(3) 7_556 3_445
Sn2 Ca2 Sn4 86.115(9) 7_546 3_445
Sn5 Ca2 Sn4 50.940(9) 3_445 3_445
Sn5 Ca2 Sn4 110.78(2) 3_455 3_445
Sn3 Ca2 Sn4 51.896(10) 7_556 3_455
Sn3 Ca2 Sn4 113.71(2) 7_546 3_455
Sn2 Ca2 Sn4 86.115(9) 7_556 3_455
Sn2 Ca2 Sn4 161.18(3) 7_546 3_455
Sn5 Ca2 Sn4 110.78(2) 3_445 3_455
Sn5 Ca2 Sn4 50.940(9) 3_455 3_455
Sn4 Ca2 Sn4 88.265(19) 3_445 3_455
Sn3 Ca2 Ca3 132.462(11) 7_556 .
Sn3 Ca2 Ca3 132.462(11) 7_546 .
Sn2 Ca2 Ca3 59.810(14) 7_556 .
Sn2 Ca2 Ca3 59.810(13) 7_546 .
Sn5 Ca2 Ca3 55.247(13) 3_445 .
Sn5 Ca2 Ca3 55.247(13) 3_455 .
Sn4 Ca2 Ca3 104.574(19) 3_445 .
Sn4 Ca2 Ca3 104.574(19) 3_455 .
Sn3 Ca2 Ca1 59.288(13) 7_556 5_556
Sn3 Ca2 Ca1 59.288(13) 7_546 5_556
Sn2 Ca2 Ca1 132.569(11) 7_556 5_556
Sn2 Ca2 Ca1 132.569(11) 7_546 5_556
Sn5 Ca2 Ca1 104.067(17) 3_445 5_556
Sn5 Ca2 Ca1 104.067(17) 3_455 5_556
Sn4 Ca2 Ca1 54.426(12) 3_445 5_556
Sn4 Ca2 Ca1 54.426(12) 3_455 5_556
Ca3 Ca2 Ca1 146.37(3) . 5_556
Sn3 Ca2 Ca5 105.437(16) 7_556 .
Sn3 Ca2 Ca5 105.437(16) 7_546 .
Sn2 Ca2 Ca5 108.526(17) 7_556 .
Sn2 Ca2 Ca5 108.526(17) 7_546 .
Sn5 Ca2 Ca5 56.444(12) 3_445 .
Sn5 Ca2 Ca5 56.444(12) 3_455 .
Sn4 Ca2 Ca5 54.341(11) 3_445 .
Sn4 Ca2 Ca5 54.341(11) 3_455 .
Ca3 Ca2 Ca5 74.837(19) . .
Ca1 Ca2 Ca5 71.536(18) 5_556 .
Sn3 Ca2 Ca4 48.925(13) 7_556 7_556
Sn3 Ca2 Ca4 99.30(2) 7_546 7_556
Sn2 Ca2 Ca4 49.917(13) 7_556 7_556
Sn2 Ca2 Ca4 99.84(2) 7_546 7_556
Sn5 Ca2 Ca4 150.73(2) 3_445 7_556
Sn5 Ca2 Ca4 94.661(12) 3_455 7_556
Sn4 Ca2 Ca4 148.62(2) 3_445 7_556
Sn4 Ca2 Ca4 94.293(12) 3_455 7_556
Ca3 Ca2 Ca4 104.99(2) . 7_556
Ca1 Ca2 Ca4 102.76(2) 5_556 7_556
Ca5 Ca2 Ca4 145.875(9) . 7_556
Sn1 Ca3 Sn5 95.442(16) 1_554 3_445
Sn1 Ca3 Sn5 95.442(16) 1_554 3_455
Sn5 Ca3 Sn5 92.36(2) 3_445 3_455
Sn1 Ca3 Sn1 107.480(16) 1_554 7_556
Sn5 Ca3 Sn1 157.01(2) 3_445 7_556
Sn5 Ca3 Sn1 83.853(10) 3_455 7_556
Sn1 Ca3 Sn1 107.480(16) 1_554 7_546
Sn5 Ca3 Sn1 83.853(10) 3_445 7_546
Sn5 Ca3 Sn1 157.01(3) 3_455 7_546
Sn1 Ca3 Sn1 90.81(2) 7_556 7_546
Sn1 Ca3 Sn2 136.644(10) 1_554 7_556
Sn5 Ca3 Sn2 110.65(2) 3_445 7_556
Sn5 Ca3 Sn2 51.129(9) 3_455 7_556
Sn1 Ca3 Sn2 50.306(9) 7_556 7_556
Sn1 Ca3 Sn2 109.19(2) 7_546 7_556
Sn1 Ca3 Sn2 136.644(10) 1_554 7_546
Sn5 Ca3 Sn2 51.129(9) 3_445 7_546
Sn5 Ca3 Sn2 110.65(2) 3_455 7_546
Sn1 Ca3 Sn2 109.19(2) 7_556 7_546
Sn1 Ca3 Sn2 50.307(9) 7_546 7_546
Sn2 Ca3 Sn2 85.566(19) 7_556 7_546
Sn1 Ca3 Li1 92.43(11) 1_554 .
Sn5 Ca3 Li1 132.94(2) 3_445 .
Sn5 Ca3 Li1 132.94(2) 3_455 .
Sn1 Ca3 Li1 49.71(4) 7_556 .
Sn1 Ca3 Li1 49.71(4) 7_546 .
Sn2 Ca3 Li1 93.96(8) 7_556 .
Sn2 Ca3 Li1 93.96(8) 7_546 .
Sn1 Ca3 Li1 49.02(9) 1_554 7_545
Sn5 Ca3 Li1 47.81(9) 3_445 7_545
Sn5 Ca3 Li1 105.16(8) 3_455 7_545
Sn1 Ca3 Li1 154.78(10) 7_556 7_545
Sn1 Ca3 Li1 89.07(7) 7_546 7_545
Sn2 Ca3 Li1 151.30(10) 7_556 7_545
Sn2 Ca3 Li1 89.93(8) 7_546 7_545
Li1 Ca3 Li1 114.65(10) . 7_545
Sn1 Ca3 Li1 49.02(9) 1_554 7
Sn5 Ca3 Li1 105.16(8) 3_445 7
Sn5 Ca3 Li1 47.81(9) 3_455 7
Sn1 Ca3 Li1 89.07(7) 7_556 7
Sn1 Ca3 Li1 154.78(10) 7_546 7
Sn2 Ca3 Li1 89.93(8) 7_556 7
Sn2 Ca3 Li1 151.30(10) 7_546 7
Li1 Ca3 Li1 114.65(10) . 7
Li1 Ca3 Li1 80.57(13) 7_545 7
Sn1 Ca3 Ca2 135.92(3) 1_554 .
Sn5 Ca3 Ca2 56.957(13) 3_445 .
Sn5 Ca3 Ca2 56.957(13) 3_455 .
Sn1 Ca3 Ca2 103.044(18) 7_556 .
Sn1 Ca3 Ca2 103.044(18) 7_546 .
Sn2 Ca3 Ca2 53.715(12) 7_556 .
Sn2 Ca3 Ca2 53.715(13) 7_546 .
Li1 Ca3 Ca2 131.66(11) . .
Li1 Ca3 Ca2 101.54(10) 7_545 .
Li1 Ca3 Ca2 101.54(10) 7 .
Sn1 Ca3 Ca4 152.18(3) 1_554 .
Sn5 Ca3 Ca4 103.663(18) 3_445 .
Sn5 Ca3 Ca4 103.663(18) 3_455 .
Sn1 Ca3 Ca4 55.818(12) 7_556 .
Sn1 Ca3 Ca4 55.818(12) 7_546 .
Sn2 Ca3 Ca4 53.385(12) 7_556 .
Sn2 Ca3 Ca4 53.385(13) 7_546 .
Li1 Ca3 Ca4 59.75(11) . .
Li1 Ca3 Ca4 139.63(7) 7_545 .
Li1 Ca3 Ca4 139.63(7) 7 .
Ca2 Ca3 Ca4 71.90(2) . .
Sn3 Ca4 Sn2 133.458(10) . 7_546
Sn3 Ca4 Sn2 133.458(10) . 7_556
Sn2 Ca4 Sn2 92.87(2) 7_546 7_556
Sn3 Ca4 Sn2 76.042(17) . .
Sn2 Ca4 Sn2 97.112(17) 7_546 .
Sn2 Ca4 Sn2 97.112(17) 7_556 .
Sn3 Ca4 Sn1 101.049(17) . 7_546
Sn2 Ca4 Sn1 52.002(9) 7_546 7_546
Sn2 Ca4 Sn1 114.26(2) 7_556 7_546
Sn2 Ca4 Sn1 134.868(10) . 7_546
Sn3 Ca4 Sn1 101.049(17) . 7_556
Sn2 Ca4 Sn1 114.26(2) 7_546 7_556
Sn2 Ca4 Sn1 52.002(9) 7_556 7_556
Sn2 Ca4 Sn1 134.868(10) . 7_556
Sn1 Ca4 Sn1 90.21(2) 7_546 7_556
Sn3 Ca4 Li1 85.13(10) . .
Sn2 Ca4 Li1 95.83(7) 7_546 .
Sn2 Ca4 Li1 95.83(7) 7_556 .
Sn2 Ca4 Li1 161.17(10) . .
Sn1 Ca4 Li1 48.66(3) 7_546 .
Sn1 Ca4 Li1 48.66(3) 7_556 .
Sn3 Ca4 Ca3 142.15(3) . .
Sn2 Ca4 Ca3 58.900(13) 7_546 .
Sn2 Ca4 Ca3 58.900(13) 7_556 .
Sn2 Ca4 Ca3 141.80(2) . .
Sn1 Ca4 Ca3 55.380(13) 7_546 .
Sn1 Ca4 Ca3 55.380(13) 7_556 .
Li1 Ca4 Ca3 57.03(10) . .
Sn3 Ca4 Ca1 51.276(13) . 7_556
Sn2 Ca4 Ca1 150.93(2) 7_546 7_556
Sn2 Ca4 Ca1 91.816(12) 7_556 7_556
Sn2 Ca4 Ca1 110.740(19) . 7_556
Sn1 Ca4 Ca1 100.26(2) 7_546 7_556
Sn1 Ca4 Ca1 49.807(12) 7_556 7_556
Li1 Ca4 Ca1 55.13(7) . 7_556
Ca3 Ca4 Ca1 100.06(2) . 7_556
Sn3 Ca4 Ca1 51.276(13) . 7_546
Sn2 Ca4 Ca1 91.816(12) 7_546 7_546
Sn2 Ca4 Ca1 150.93(2) 7_556 7_546
Sn2 Ca4 Ca1 110.740(19) . 7_546
Sn1 Ca4 Ca1 49.807(12) 7_546 7_546
Sn1 Ca4 Ca1 100.26(2) 7_556 7_546
Li1 Ca4 Ca1 55.13(7) . 7_546
Ca3 Ca4 Ca1 100.06(2) . 7_546
Ca1 Ca4 Ca1 71.078(18) 7_556 7_546
Sn3 Ca4 Ca2 49.166(13) . 7_556
Sn2 Ca4 Ca2 146.40(2) 7_546 7_556
Sn2 Ca4 Ca2 91.283(12) 7_556 7_556
Sn2 Ca4 Ca2 49.292(14) . 7_556
Sn1 Ca4 Ca2 150.19(2) 7_546 7_556
Sn1 Ca4 Ca2 94.315(12) 7_556 7_556
Li1 Ca4 Ca2 116.88(8) . 7_556
Ca3 Ca4 Ca2 145.992(9) . 7_556
Ca1 Ca4 Ca2 62.031(15) 7_556 7_556
Ca1 Ca4 Ca2 100.44(2) 7_546 7_556
Sn3 Ca4 Ca2 49.166(13) . 7_546
Sn2 Ca4 Ca2 91.283(12) 7_546 7_546
Sn2 Ca4 Ca2 146.40(2) 7_556 7_546
Sn2 Ca4 Ca2 49.292(14) . 7_546
Sn1 Ca4 Ca2 94.315(12) 7_546 7_546
Sn1 Ca4 Ca2 150.19(2) 7_556 7_546
Li1 Ca4 Ca2 116.88(8) . 7_546
Ca3 Ca4 Ca2 145.992(9) . 7_546
Ca1 Ca4 Ca2 100.44(2) 7_556 7_546
Ca1 Ca4 Ca2 62.031(16) 7_546 7_546
Ca2 Ca4 Ca2 68.016(18) 7_556 7_546
Sn4 Ca5 Sn4 180.0 7_545 3_455
Sn4 Ca5 Sn4 91.049(10) 7_545 7
Sn4 Ca5 Sn4 88.951(10) 3_455 7
Sn4 Ca5 Sn4 88.951(10) 7_545 3_445
Sn4 Ca5 Sn4 91.049(10) 3_455 3_445
Sn4 Ca5 Sn4 180.0 7 3_445
Sn4 Ca5 Sn5 51.044(6) 7_545 7_545
Sn4 Ca5 Sn5 128.956(6) 3_455 7_545
Sn4 Ca5 Sn5 111.143(8) 7 7_545
Sn4 Ca5 Sn5 68.857(8) 3_445 7_545
Sn4 Ca5 Sn5 128.956(6) 7_545 3_455
Sn4 Ca5 Sn5 51.044(6) 3_455 3_455
Sn4 Ca5 Sn5 68.857(8) 7 3_455
Sn4 Ca5 Sn5 111.143(8) 3_445 3_455
Sn5 Ca5 Sn5 180.0 7_545 3_455
Sn4 Ca5 Sn5 111.143(8) 7_545 7
Sn4 Ca5 Sn5 68.857(7) 3_455 7
Sn4 Ca5 Sn5 51.044(7) 7 7
Sn4 Ca5 Sn5 128.956(7) 3_445 7
Sn5 Ca5 Sn5 87.785(9) 7_545 7
Sn5 Ca5 Sn5 92.215(9) 3_455 7
Sn4 Ca5 Sn5 68.857(7) 7_545 3_445
Sn4 Ca5 Sn5 111.143(8) 3_455 3_445
Sn4 Ca5 Sn5 128.956(7) 7 3_445
Sn4 Ca5 Sn5 51.044(7) 3_445 3_445
Sn5 Ca5 Sn5 92.215(9) 7_545 3_445
Sn5 Ca5 Sn5 87.785(9) 3_455 3_445
Sn5 Ca5 Sn5 180.0 7 3_445
Sn4 Ca5 Ca2 56.367(8) 7_545 5
Sn4 Ca5 Ca2 123.633(8) 3_455 5
Sn4 Ca5 Ca2 56.367(8) 7 5
Sn4 Ca5 Ca2 123.633(8) 3_445 5
Sn5 Ca5 Ca2 54.781(7) 7_545 5
Sn5 Ca5 Ca2 125.219(7) 3_455 5
Sn5 Ca5 Ca2 54.781(7) 7 5
Sn5 Ca5 Ca2 125.219(7) 3_445 5
Sn4 Ca5 Ca2 123.633(8) 7_545 .
Sn4 Ca5 Ca2 56.367(8) 3_455 .
Sn4 Ca5 Ca2 123.633(8) 7 .
Sn4 Ca5 Ca2 56.367(8) 3_445 .
Sn5 Ca5 Ca2 125.219(7) 7_545 .
Sn5 Ca5 Ca2 54.781(7) 3_455 .
Sn5 Ca5 Ca2 125.219(7) 7 .
Sn5 Ca5 Ca2 54.781(7) 3_445 .
Ca2 Ca5 Ca2 180.0 5 .
Sn4 Ca5 Ca1 47.518(6) 7_545 1_554
Sn4 Ca5 Ca1 132.482(6) 3_455 1_554
Sn4 Ca5 Ca1 47.518(6) 7 1_554
Sn4 Ca5 Ca1 132.482(6) 3_445 1_554
Sn5 Ca5 Ca1 90.025(8) 7_545 1_554
Sn5 Ca5 Ca1 89.975(8) 3_455 1_554
Sn5 Ca5 Ca1 90.025(8) 7 1_554
Sn5 Ca5 Ca1 89.975(8) 3_445 1_554
Ca2 Ca5 Ca1 53.189(15) 5 1_554
Ca2 Ca5 Ca1 126.810(15) . 1_554
Sn4 Ca5 Ca1 132.482(6) 7_545 5_556
Sn4 Ca5 Ca1 47.518(6) 3_455 5_556
Sn4 Ca5 Ca1 132.482(6) 7 5_556
Sn4 Ca5 Ca1 47.518(6) 3_445 5_556
Sn5 Ca5 Ca1 89.975(8) 7_545 5_556
Sn5 Ca5 Ca1 90.025(8) 3_455 5_556
Sn5 Ca5 Ca1 89.975(8) 7 5_556
Sn5 Ca5 Ca1 90.025(8) 3_445 5_556
Ca2 Ca5 Ca1 126.811(15) 5 5_556
Ca2 Ca5 Ca1 53.190(15) . 5_556
Ca1 Ca5 Ca1 180.000(17) 1_554 5_556
Sn5 Li1 Sn4 83.82(17) 5_655 .
Sn5 Li1 Sn1 115.10(14) 5_655 7_546
Sn4 Li1 Sn1 115.48(14) . 7_546
Sn5 Li1 Sn1 115.10(14) 5_655 7_556
Sn4 Li1 Sn1 115.48(14) . 7_556
Sn1 Li1 Sn1 109.9(2) 7_546 7_556
Sn5 Li1 Ca3 104.47(18) 5_655 .
Sn4 Li1 Ca3 171.7(2) . .
Sn1 Li1 Ca3 61.28(11) 7_546 .
Sn1 Li1 Ca3 61.28(11) 7_556 .
Sn5 Li1 Ca1 119.87(14) 5_655 7_556
Sn4 Li1 Ca1 59.57(10) . 7_556
Sn1 Li1 Ca1 123.1(2) 7_546 7_556
Sn1 Li1 Ca1 57.79(7) 7_556 7_556
Ca3 Li1 Ca1 114.90(14) . 7_556
Sn5 Li1 Ca1 119.87(14) 5_655 7_546
Sn4 Li1 Ca1 59.57(10) . 7_546
Sn1 Li1 Ca1 57.79(7) 7_546 7_546
Sn1 Li1 Ca1 123.1(2) 7_556 7_546
Ca3 Li1 Ca1 114.90(14) . 7_546
Ca1 Li1 Ca1 82.47(14) 7_556 7_546
Sn5 Li1 Ca4 167.7(2) 5_655 .
Sn4 Li1 Ca4 108.50(19) . .
Sn1 Li1 Ca4 60.20(11) 7_546 .
Sn1 Li1 Ca4 60.20(11) 7_556 .
Ca3 Li1 Ca4 63.22(11) . .
Ca1 Li1 Ca4 68.50(11) 7_556 .
Ca1 Li1 Ca4 68.50(11) 7_546 .
Sn5 Li1 Ca3 59.05(10) 5_655 7_545
Sn4 Li1 Ca3 120.31(15) . 7_545
Sn1 Li1 Ca3 58.05(7) 7_546 7_545
Sn1 Li1 Ca3 121.99(19) 7_556 7_545
Ca3 Li1 Ca3 65.35(10) . 7_545
Ca1 Li1 Ca3 178.83(17) 7_556 7_545
Ca1 Li1 Ca3 98.477(13) 7_546 7_545
Ca4 Li1 Ca3 112.48(13) . 7_545
Sn5 Li1 Ca3 59.05(10) 5_655 7
Sn4 Li1 Ca3 120.31(15) . 7
Sn1 Li1 Ca3 121.99(19) 7_546 7
Sn1 Li1 Ca3 58.05(7) 7_556 7
Ca3 Li1 Ca3 65.35(10) . 7
Ca1 Li1 Ca3 98.477(13) 7_556 7
Ca1 Li1 Ca3 178.83(17) 7_546 7
Ca4 Li1 Ca3 112.48(13) . 7
Ca3 Li1 Ca3 80.57(13) 7_545 7
Li1 Sn1 Li1 109.9(2) 7_546 7_556
Li1 Sn1 Sn2 125.03(10) 7_546 .
Li1 Sn1 Sn2 125.03(10) 7_556 .
Li1 Sn1 Ca1 72.18(12) 7_546 .
Li1 Sn1 Ca1 72.18(12) 7_556 .
Sn2 Sn1 Ca1 120.963(17) . .
Li1 Sn1 Ca3 72.93(13) 7_546 1_556
Li1 Sn1 Ca3 72.93(13) 7_556 1_556
Sn2 Sn1 Ca3 121.995(16) . 1_556
Ca1 Sn1 Ca3 117.042(19) . 1_556
Li1 Sn1 Ca3 143.90(13) 7_546 7_556
Li1 Sn1 Ca3 69.01(11) 7_556 7_556
Sn2 Sn1 Ca3 67.727(13) . 7_556
Ca1 Sn1 Ca3 134.570(10) . 7_556
Ca3 Sn1 Ca3 72.519(16) 1_556 7_556
Li1 Sn1 Ca3 69.01(11) 7_546 7_546
Li1 Sn1 Ca3 143.90(13) 7_556 7_546
Sn2 Sn1 Ca3 67.727(13) . 7_546
Ca1 Sn1 Ca3 134.570(10) . 7_546
Ca3 Sn1 Ca3 72.519(16) 1_556 7_546
Ca3 Sn1 Ca3 90.810(19) 7_556 7_546
Li1 Sn1 Ca4 71.14(12) 7_546 7_546
Li1 Sn1 Ca4 146.81(13) 7_556 7_546
Sn2 Sn1 Ca4 62.673(13) . 7_546
Ca1 Sn1 Ca4 77.083(16) . 7_546
Ca3 Sn1 Ca4 134.261(11) 1_556 7_546
Ca3 Sn1 Ca4 130.337(18) 7_556 7_546
Ca3 Sn1 Ca4 68.802(16) 7_546 7_546
Li1 Sn1 Ca4 146.81(13) 7_546 7_556
Li1 Sn1 Ca4 71.14(12) 7_556 7_556
Sn2 Sn1 Ca4 62.673(13) . 7_556
Ca1 Sn1 Ca4 77.083(16) . 7_556
Ca3 Sn1 Ca4 134.261(11) 1_556 7_556
Ca3 Sn1 Ca4 68.802(16) 7_556 7_556
Ca3 Sn1 Ca4 130.337(18) 7_546 7_556
Ca4 Sn1 Ca4 90.21(2) 7_546 7_556
Sn1 Sn2 Sn5 98.554(12) . 5_656
Sn1 Sn2 Ca2 126.876(12) . 7_556
Sn5 Sn2 Ca2 65.393(14) 5_656 7_556
Sn1 Sn2 Ca2 126.876(12) . 7_546
Sn5 Sn2 Ca2 65.393(14) 5_656 7_546
Ca2 Sn2 Ca2 93.49(2) 7_556 7_546
Sn1 Sn2 Ca4 65.324(14) . 7_546
Sn5 Sn2 Ca4 127.183(12) 5_656 7_546
Ca2 Sn2 Ca4 163.67(2) 7_556 7_546
Ca2 Sn2 Ca4 84.503(15) 7_546 7_546
Sn1 Sn2 Ca4 65.324(14) . 7_556
Sn5 Sn2 Ca4 127.183(12) 5_656 7_556
Ca2 Sn2 Ca4 84.503(15) 7_556 7_556
Ca2 Sn2 Ca4 163.67(2) 7_546 7_556
Ca4 Sn2 Ca4 92.87(2) 7_546 7_556
Sn1 Sn2 Ca4 132.370(15) . .
Sn5 Sn2 Ca4 129.076(16) 5_656 .
Ca2 Sn2 Ca4 80.793(16) 7_556 .
Ca2 Sn2 Ca4 80.793(16) 7_546 .
Ca4 Sn2 Ca4 82.889(17) 7_546 .
Ca4 Sn2 Ca4 82.889(17) 7_556 .
Sn1 Sn2 Ca3 61.967(12) . 7_556
Sn5 Sn2 Ca3 60.821(13) 5_656 7_556
Ca2 Sn2 Ca3 66.475(17) 7_556 7_556
Ca2 Sn2 Ca3 126.174(18) 7_546 7_556
Ca4 Sn2 Ca3 127.233(18) 7_546 7_556
Ca4 Sn2 Ca3 67.714(16) 7_556 7_556
Ca4 Sn2 Ca3 137.156(9) . 7_556
Sn1 Sn2 Ca3 61.967(12) . 7_546
Sn5 Sn2 Ca3 60.821(13) 5_656 7_546
Ca2 Sn2 Ca3 126.174(18) 7_556 7_546
Ca2 Sn2 Ca3 66.475(17) 7_546 7_546
Ca4 Sn2 Ca3 67.714(16) 7_546 7_546
Ca4 Sn2 Ca3 127.233(18) 7_556 7_546
Ca4 Sn2 Ca3 137.156(9) . 7_546
Ca3 Sn2 Ca3 85.565(19) 7_556 7_546
Sn3 Sn3 Sn4 96.563(13) 5_656 5_656
Sn3 Sn3 Ca4 130.377(19) 5_656 .
Sn4 Sn3 Ca4 133.060(16) 5_656 .
Sn3 Sn3 Ca2 126.805(12) 5_656 7_556
Sn4 Sn3 Ca2 66.979(14) 5_656 7_556
Ca4 Sn3 Ca2 81.910(17) . 7_556
Sn3 Sn3 Ca2 126.805(12) 5_656 7_546
Sn4 Sn3 Ca2 66.979(14) 5_656 7_546
Ca4 Sn3 Ca2 81.910(17) . 7_546
Ca2 Sn3 Ca2 94.09(2) 7_556 7_546
Sn3 Sn3 Ca1 68.752(13) 5_656 7_546
Sn4 Sn3 Ca1 128.214(12) 5_656 7_546
Ca4 Sn3 Ca1 78.006(16) . 7_546
Ca2 Sn3 Ca1 159.909(19) 7_556 7_546
Ca2 Sn3 Ca1 82.669(15) 7_546 7_546
Sn3 Sn3 Ca1 68.752(13) 5_656 7_556
Sn4 Sn3 Ca1 128.214(12) 5_656 7_556
Ca4 Sn3 Ca1 78.006(16) . 7_556
Ca2 Sn3 Ca1 82.669(15) 7_556 7_556
Ca2 Sn3 Ca1 159.909(19) 7_546 7_556
Ca1 Sn3 Ca1 93.57(2) 7_546 7_556
Sn3 Sn3 Ca1 60.866(13) 5_656 3
Sn4 Sn3 Ca1 60.969(12) 5_656 3
Ca4 Sn3 Ca1 136.902(9) . 3
Ca2 Sn3 Ca1 67.355(17) 7_556 3
Ca2 Sn3 Ca1 127.932(18) 7_546 3
Ca1 Sn3 Ca1 129.618(10) 7_546 3
Ca1 Sn3 Ca1 69.03(2) 7_556 3
Sn3 Sn3 Ca1 60.866(13) 5_656 3_545
Sn4 Sn3 Ca1 60.969(12) 5_656 3_545
Ca4 Sn3 Ca1 136.902(9) . 3_545
Ca2 Sn3 Ca1 127.932(18) 7_556 3_545
Ca2 Sn3 Ca1 67.355(17) 7_546 3_545
Ca1 Sn3 Ca1 69.03(2) 7_546 3_545
Ca1 Sn3 Ca1 129.618(10) 7_556 3_545
Ca1 Sn3 Ca1 86.158(18) 3 3_545
Li1 Sn4 Sn5 141.14(13) . .
Li1 Sn4 Sn3 119.44(13) . 5_656
Sn5 Sn4 Sn3 99.428(11) . 5_656
Li1 Sn4 Ca1 71.34(9) . 7_556
Sn5 Sn4 Ca1 129.228(11) . 7_556
Sn3 Sn4 Ca1 67.994(14) 5_656 7_556
Li1 Sn4 Ca1 71.34(9) . 7_546
Sn5 Sn4 Ca1 129.228(11) . 7_546
Sn3 Sn4 Ca1 67.994(14) 5_656 7_546
Ca1 Sn4 Ca1 92.81(2) 7_556 7_546
Li1 Sn4 Ca5 87.41(9) . 3_545
Sn5 Sn4 Ca5 66.205(6) . 3_545
Sn3 Sn4 Ca5 129.132(6) 5_656 3_545
Ca1 Sn4 Ca5 158.334(14) 7_556 3_545
Ca1 Sn4 Ca5 84.017(12) 7_546 3_545
Li1 Sn4 Ca5 87.41(9) . 3
Sn5 Sn4 Ca5 66.205(6) . 3
Sn3 Sn4 Ca5 129.132(6) 5_656 3
Ca1 Sn4 Ca5 84.017(12) 7_556 3
Ca1 Sn4 Ca5 158.334(14) 7_546 3
Ca5 Sn4 Ca5 91.050(10) 3_545 3
Li1 Sn4 Ca2 134.41(3) . 3
Sn5 Sn4 Ca2 63.598(13) . 3
Sn3 Sn4 Ca2 61.124(13) 5_656 3
Ca1 Sn4 Ca2 67.795(16) 7_556 3
Ca1 Sn4 Ca2 129.102(18) 7_546 3
Ca5 Sn4 Ca2 129.802(13) 3_545 3
Ca5 Sn4 Ca2 69.292(13) 3 3
Li1 Sn4 Ca2 134.41(3) . 3_545
Sn5 Sn4 Ca2 63.598(13) . 3_545
Sn3 Sn4 Ca2 61.124(13) 5_656 3_545
Ca1 Sn4 Ca2 129.102(18) 7_556 3_545
Ca1 Sn4 Ca2 67.795(16) 7_546 3_545
Ca5 Sn4 Ca2 69.292(12) 3_545 3_545
Ca5 Sn4 Ca2 129.802(13) 3 3_545
Ca2 Sn4 Ca2 88.266(19) 3 3_545
Li1 Sn5 Sn4 135.05(12) 5_655 .
Li1 Sn5 Sn2 122.56(12) 5_655 5_656
Sn4 Sn5 Sn2 102.395(12) . 5_656
Li1 Sn5 Ca3 73.14(8) 5_655 3
Sn4 Sn5 Ca3 130.500(11) . 3
Sn2 Sn5 Ca3 68.049(14) 5_656 3
Li1 Sn5 Ca3 73.14(8) 5_655 3_545
Sn4 Sn5 Ca3 130.500(11) . 3_545
Sn2 Sn5 Ca3 68.049(13) 5_656 3_545
Ca3 Sn5 Ca3 92.36(2) 3 3_545
Li1 Sn5 Ca2 134.28(2) 5_655 3
Sn4 Sn5 Ca2 65.462(12) . 3
Sn2 Sn5 Ca2 61.985(13) 5_656 3
Ca3 Sn5 Ca2 67.797(16) 3 3
Ca3 Sn5 Ca2 129.991(18) 3_545 3
Li1 Sn5 Ca2 134.28(2) 5_655 3_545
Sn4 Sn5 Ca2 65.462(13) . 3_545
Sn2 Sn5 Ca2 61.985(13) 5_656 3_545
Ca3 Sn5 Ca2 129.991(18) 3 3_545
Ca3 Sn5 Ca2 67.797(16) 3_545 3_545
Ca2 Sn5 Ca2 90.02(2) 3 3_545
Li1 Sn5 Ca5 86.04(9) 5_655 3_545
Sn4 Sn5 Ca5 62.751(7) . 3_545
Sn2 Sn5 Ca5 129.927(6) 5_656 3_545
Ca3 Sn5 Ca5 158.617(15) 3 3_545
Ca3 Sn5 Ca5 86.024(12) 3_545 3_545
Ca2 Sn5 Ca5 128.213(13) 3 3_545
Ca2 Sn5 Ca5 68.775(13) 3_545 3_545
Li1 Sn5 Ca5 86.04(9) 5_655 3
Sn4 Sn5 Ca5 62.751(7) . 3
Sn2 Sn5 Ca5 129.927(6) 5_656 3
Ca3 Sn5 Ca5 86.024(13) 3 3
Ca3 Sn5 Ca5 158.617(15) 3_545 3
Ca2 Sn5 Ca5 68.775(12) 3 3
Ca2 Sn5 Ca5 128.213(13) 3_545 3
Ca5 Sn5 Ca5 87.785(9) 3_545 3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ca1 Sn1 3.2113(8) .
Ca1 Sn3 3.2683(6) 7_546
Ca1 Sn3 3.2683(6) 7_556
Ca1 Sn4 3.2888(6) 7_556
Ca1 Sn4 3.2888(6) 7_546
Ca1 Sn3 3.4874(6) 3_445
Ca1 Sn3 3.4874(6) 3_455
Ca1 Li1 3.614(5) 7_556
Ca1 Li1 3.614(5) 7_546
Ca1 Ca2 3.7436(11) 5_556
Ca1 Ca1 3.8323(14) 5_556
Ca1 Ca4 4.0977(9) 7_556
Ca2 Sn3 3.2546(6) 7_556
Ca2 Sn3 3.2546(6) 7_546
Ca2 Sn2 3.2703(6) 7_556
Ca2 Sn2 3.2703(6) 7_546
Ca2 Sn5 3.3680(6) 3_445
Ca2 Sn5 3.3680(6) 3_455
Ca2 Sn4 3.4207(6) 3_445
Ca2 Sn4 3.4207(6) 3_455
Ca2 Ca3 3.7199(11) .
Ca2 Ca1 3.7436(11) 5_556
Ca2 Ca5 3.8430(8) .
Ca2 Ca4 4.2587(9) 7_556
Ca3 Sn1 3.2699(8) 1_554
Ca3 Sn5 3.3011(6) 3_445
Ca3 Sn5 3.3011(6) 3_455
Ca3 Sn1 3.3449(6) 7_556
Ca3 Sn1 3.3449(6) 7_546
Ca3 Sn2 3.5068(6) 7_556
Ca3 Sn2 3.5068(6) 7_546
Ca3 Li1 3.561(6) .
Ca3 Li1 3.684(5) 7_545
Ca3 Li1 3.684(5) 7
Ca3 Ca4 3.7895(11) .
Ca4 Sn3 3.2427(8) .
Ca4 Sn2 3.2873(6) 7_546
Ca4 Sn2 3.2873(6) 7_556
Ca4 Sn2 3.3008(9) .
Ca4 Sn1 3.3624(6) 7_546
Ca4 Sn1 3.3624(6) 7_556
Ca4 Li1 3.667(7) .
Ca4 Ca1 4.0978(9) 7_556
Ca4 Ca1 4.0978(9) 7_546
Ca4 Ca2 4.2587(9) 7_556
Ca4 Ca2 4.2587(9) 7_546
Ca5 Sn4 3.3381(3) 7_545
Ca5 Sn4 3.3381(3) 3_455
Ca5 Sn4 3.3381(3) 7
Ca5 Sn4 3.3381(3) 3_445
Ca5 Sn5 3.4356(3) 7_545
Ca5 Sn5 3.4356(3) 3_455
Ca5 Sn5 3.4356(3) 7
Ca5 Sn5 3.4356(3) 3_445
Ca5 Ca2 3.8430(8) 5
Ca5 Ca1 4.4351(8) 1_554
Ca5 Ca1 4.4351(8) 5_556
Li1 Sn5 2.852(7) 5_655
Li1 Sn4 2.883(6) .
Li1 Sn1 2.909(4) 7_546
Li1 Sn1 2.909(4) 7_556
Li1 Ca1 3.614(5) 7_556
Li1 Ca1 3.614(5) 7_546
Li1 Ca3 3.684(5) 7_545
Li1 Ca3 3.684(5) 7
Sn1 Li1 2.909(4) 7_546
Sn1 Li1 2.909(4) 7_556
Sn1 Sn2 2.9160(4) .
Sn1 Ca3 3.2699(8) 1_556
Sn1 Ca3 3.3450(6) 7_556
Sn1 Ca3 3.3450(6) 7_546
Sn1 Ca4 3.3624(6) 7_546
Sn1 Ca4 3.3624(6) 7_556
Sn2 Sn5 2.9437(4) 5_656
Sn2 Ca2 3.2704(6) 7_556
Sn2 Ca2 3.2704(6) 7_546
Sn2 Ca4 3.2873(6) 7_546
Sn2 Ca4 3.2873(6) 7_556
Sn2 Ca3 3.5068(6) 7_556
Sn2 Ca3 3.5068(6) 7_546
Sn3 Sn3 2.8823(5) 5_656
Sn3 Sn4 2.9247(4) 5_656
Sn3 Ca2 3.2545(6) 7_556
Sn3 Ca2 3.2545(6) 7_546
Sn3 Ca1 3.2683(6) 7_546
Sn3 Ca1 3.2683(6) 7_556
Sn3 Ca1 3.4874(6) 3
Sn3 Ca1 3.4874(6) 3_545
Sn4 Sn5 2.9198(4) .
Sn4 Sn3 2.9246(4) 5_656
Sn4 Ca1 3.2888(6) 7_556
Sn4 Ca1 3.2888(6) 7_546
Sn4 Ca5 3.3381(3) 3_545
Sn4 Ca5 3.3381(3) 3
Sn4 Ca2 3.4207(6) 3
Sn4 Ca2 3.4207(6) 3_545
Sn5 Li1 2.852(7) 5_655
Sn5 Sn2 2.9437(4) 5_656
Sn5 Ca3 3.3011(6) 3
Sn5 Ca3 3.3011(6) 3_545
Sn5 Ca2 3.3680(6) 3
Sn5 Ca2 3.3680(6) 3_545
Sn5 Ca5 3.4356(3) 3_545
Sn5 Ca5 3.4356(3) 3
