#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/02/8100236.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_8100236
loop_
_publ_author_name
'Kolb, Andreas'
'Gollackner, Manuela'
'Klepp, Kurt O.'
_publ_section_title
;
Crystal structure of tetrarubidium hexathiodisilicate(IV), Rb₄Si₂S₆
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              361
_journal_page_last               362
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'Rb4 S6 Si2'
_chemical_formula_sum            'Rb4 S6 Si2'
_chemical_formula_weight         590.40
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 125.15(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.23(2)
_cell_length_b                   6.864(2)
_cell_length_c                   9.53(1)
_cell_measurement_temperature    296.1
_cell_volume                     707.1(15)
_exptl_crystal_density_diffrn    2.773
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Rb4 S6 Si2 '
_cod_database_code               8100236
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.58030(11) 0.0000 0.36164(13) 0.0272(3) Uani 1 4 i d S . .
Rb2 Rb 0.80583(12) 0.0000 0.1881(1) 0.0337(3) Uani 1 4 i d S . .
S1 S 0.1122(3) 0.0000 0.3921(3) 0.0250(6) Uani 1 4 i d S . .
S2 S 0.2874(3) 0.0000 0.2217(4) 0.0282(7) Uani 1 4 i d S . .
S3 S 0.0000 0.2346(4) 0.0000 0.0263(6) Uani 1 4 g d S . .
Si1 Si 0.1155(3) 0.0000 0.1783(3) 0.0186(6) Uani 1 4 i d S . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Rb1 . Rb1 2_656 4.232(5) yes
Rb1 . Rb2 . 4.161(6) yes
Rb1 . S1 3_545 3.4494(11) yes
Rb1 . S1 3_555 3.4494(11) yes
Rb1 . S1 2_656 3.326(7) yes
Rb1 . S2 . 3.293(7) yes
Rb1 . S2 2_656 3.289(6) yes
Rb1 . S3 3_545 3.479(4) yes
Rb1 . S3 4_555 3.479(4) yes
Rb1 . Si1 3_545 3.998(2) yes
Rb1 . Si1 3_555 3.998(2) yes
Rb1 . Si1 2_656 3.885(6) yes
Rb2 . S1 1_655 3.336(7) yes
Rb2 . S1 2_656 3.489(6) yes
Rb2 . S2 3_545 3.4683(12) yes
Rb2 . S2 3_555 3.4683(12) yes
Rb2 . S2 2_655 3.349(6) yes
Rb2 . S3 1_655 4.207(5) yes
Rb2 . S3 3_545 3.814(6) yes
Rb2 . S3 2_655 4.207(5) yes
Rb2 . S3 4_555 3.814(6) yes
Rb2 . Si1 1_655 4.151(8) yes
Rb2 . Si1 3_545 4.225(3) yes
Rb2 . Si1 3_555 4.225(3) yes
Rb2 . Si1 2_655 4.177(6) yes
S1 . S1 2_556 4.478(8) yes
S1 . S2 . 3.513(6) yes
S1 . S3 . 3.516(5) yes
S1 . S3 2_555 3.516(5) yes
S1 . Si1 . 2.063(4) yes
S1 . Si1 2_555 4.444(8) yes
S2 . S3 . 3.501(6) yes
S2 . S3 2_555 3.501(6) yes
S2 . Si1 . 2.063(6) yes
S2 . Si1 2_555 4.420(9) yes
S3 . S3 2_555 3.220(5) yes
S3 . S3 2_565 3.643(5) yes
S3 . Si1 . 2.196(3) yes
S3 . Si1 2_555 2.196(3) yes
Si1 . Si1 2_555 2.987(7) yes
