#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/66/1536660.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_1536660
loop_
_publ_author_name
'Kirchgaessner, R.'
'Jacobs, H.'
_publ_section_title
;
 Bindungsverhaeltnisse in kristallinen Phasen von Caesiumhydrogensulfid,
 Cs H und Cs D S
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              117
_journal_page_last               130
_journal_volume                  569
_journal_year                    1989
_chemical_formula_sum            'Cs D S'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.853
_cell_length_b                   5.853
_cell_length_c                   4.538
_cell_volume                     155.461
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kirchgaessner_ZAACAB_1989_1863.cif
_cod_data_source_block           D1Cs1S1
_cod_original_formula_sum        'D1 Cs1 S1'
_cod_database_code               1536660
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z
y+1/2,x+1/2,-z
-x+1/2,y+1/2,-z
-y+1/2,-x+1/2,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z
-y-1/2,-x-1/2,z
x-1/2,-y-1/2,z
y-1/2,x-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_occupancy
_atom_site_U_iso_or_equiv
S1 S-2 0 0 0.5 1 0.0
D1 D+1 0.163 0.337 0.5 0.5 0.0
Cs1 Cs+1 0 0 0 1 0.0
