#------------------------------------------------------------------------------
#$Date: 2018-06-14 13:18:26 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208366 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/08/8100810.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_8100810
loop_
_publ_author_name
'Klepp, O. Kurt'
'Fabian, Ferdinand'
_publ_section_title
;
Crystal structure of tetrarubidium tetrathiostannate(IV), Rb₄SnS₄
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              475
_journal_page_last               476
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Rb4 Sn S4'
_chemical_formula_sum            'Rb4 S4 Sn'
_chemical_formula_weight         588.83
_space_group_crystal_system      cubic
_space_group_IT_number           218
_space_group_name_Hall           'P -4n 2 3'
_space_group_name_H-M_alt        'P -4 3 n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.4524(7)
_cell_length_b                   13.4524(7)
_cell_length_c                   13.4524(7)
_cell_measurement_temperature    294
_cell_volume                     2434.4(4)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    3.21
_refine_ls_R_factor_obs          0.036
_refine_ls_wR_factor_obs         0.028
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-14
;
_cod_database_code               8100810
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 y+1/2,-x+1/2,-z+1/2
3 -x,-y,z
4 -y+1/2,x+1/2,-z+1/2
5 x,-y,-z
6 -y+1/2,-x+1/2,z+1/2
7 -x,y,-z
8 y+1/2,x+1/2,z+1/2
9 z,x,y
10 x+1/2,-z+1/2,-y+1/2
11 -z,-x,y
12 -x+1/2,z+1/2,-y+1/2
13 z,-x,-y
14 -x+1/2,-z+1/2,y+1/2
15 -z,x,-y
16 x+1/2,z+1/2,y+1/2
17 y,z,x
18 y,-z,-x
19 -z+1/2,-y+1/2,x+1/2
20 -y,z,-x
21 z+1/2,y+1/2,x+1/2
22 -y,-z,x
23 -z+1/2,y+1/2,-x+1/2
24 z+1/2,-y+1/2,-x+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
Sn1 0.0000 0.0000 0.0000 0.0155(2) Uani ?
Sn2 0.2500 0.0000 0.5000 0.0149(2) Uani ?
Rb1 0.65438(9) 0.6544 0.6544 0.0297(1) Uani ?
Rb2 0.41629(8) 0.1534(1) 0.36292(8) 0.0283(3) Uani ?
S1 0.3980(2) 0.3980 0.3980 0.0282(4) Uani ?
S2 0.1537(2) 0.1114(2) 0.4022(2) 0.0261(8) Uani ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 Rb1 3.5971 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn1 S1 2.3777 ?
Sn2 Rb2 3.5582 ?
Sn2 Rb2 3.5582 ?
Sn2 Rb2 3.5582 ?
Sn2 Rb2 3.5582 ?
Sn2 S2 2.3782 ?
Sn2 S2 2.3782 ?
Sn2 S2 2.3782 ?
Sn2 S2 2.3782 ?
Rb1 Rb2 4.1234 ?
Rb1 Rb2 4.1234 ?
Rb1 Rb2 4.1234 ?
Rb1 S1 3.5903 ?
Rb1 S1 3.5903 ?
Rb1 S1 3.5903 ?
Rb1 S1 3.5903 ?
Rb1 S1 3.5903 ?
Rb1 S1 3.5903 ?
Rb1 S1 3.5903 ?
Rb1 S1 3.5903 ?
Rb1 S1 3.5903 ?
Rb1 S2 3.3832 ?
Rb1 S2 3.3832 ?
Rb1 S2 3.3832 ?
Rb2 S1 3.3331 ?
Rb2 S1 3.3331 ?
Rb2 S1 3.3331 ?
Rb2 S2 3.6163 ?
Rb2 S2 3.3892 ?
Rb2 S2 3.5248 ?
Rb2 S2 3.5518 ?
Rb2 S2 3.2979 ?
S1 S1 3.8827 ?
S1 S1 3.8827 ?
S1 S1 3.8827 ?
S1 S1 3.8827 ?
S1 S1 3.8827 ?
S1 S1 3.8827 ?
S1 S1 3.8827 ?
S1 S1 3.8827 ?
S1 S1 3.8827 ?
S2 S2 3.9884 ?
S2 S2 3.8301 ?
S2 S2 3.8301 ?
