#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/44/8104477.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_8104477
loop_
_publ_author_name
'Eisenmann, B.'
'Hofmann, A.'
_publ_section_title
;
 Crystal structure of calcium thioindate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              165
_journal_page_last               166
_journal_volume                  197
_journal_year                    1991
_chemical_formula_sum            'Ca0.76 In2.84 S5'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.988
_cell_length_b                   12.619
_cell_length_c                   3.843
_cell_volume                     775.335
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Eisenmann_ZEKRDZ_1991_1464.cif
_cod_data_source_block           Ca0.76In2.84S5
_cod_original_cell_volume        775.3351
_cod_database_code               8104477
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_occupancy
_atom_site_U_iso_or_equiv
S4 S-2 0.4703 0.1371 0 1 0.0
S5 S-2 0.2479 0.1794 0 1 0.0
In3 In+3 0.1192 0.293 0 1 0.0
Ca1 Ca+2 0.1238 0.757 0.5 0.76 0.0
S2 S-2 0.8582 0.0789 0 1 0.0
In4 In+3 0 0.5 0.5 1 0.0
In1 In+3 0.1995 0.0459 0.5 0.84 0.0
S1 S-2 0.0503 0.1427 0.5 1 0.0
S3 S-2 0.346 0.923 0.5 1 0.0
In2 In+3 0 0 0 1 0.0
