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#$Date: 2015-09-05 10:25:51 +0200 (Sat 05 de Sep de 2015) $
#$Revision: 154396 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529775.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_1529775
loop_
_publ_author_name
'Cordier, G.'
'Schaefer, H.'
_publ_section_title
;
 Ca2 Sb2 S5 - ein neues erdalkalithioantimonat(III) mit Sb2 S4-vierringen
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              218
_journal_page_last               223
_journal_volume                  18
_journal_year                    1981
_chemical_formula_sum            'Ca2 S5 Sb2'
_chemical_name_systematic        'Ca2 Sb2 S5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.074
_cell_length_b                   5.694
_cell_length_c                   11.378
_cell_volume                     911.786
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Cordier_RVCMA8_1981_707.cif
_cod_data_source_block           Ca2S5Sb2
_cod_original_cell_volume        911.7856
_cod_database_code               1529775
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
Ca2 Ca+2 0.106 0.72 0.3078 1 0.0
Sb2 Sb+3 0.1248 0.2434 0.5732 1 0.0
S4 S-2 0.8794 0.1878 0.4363 1 0.0
S2 S-2 0.5001 0.4885 0.3474 1 0.0
Sb1 Sb+3 0.3856 0.158 0.9478 1 0.0
Ca1 Ca+2 0.6677 0.2694 0.8327 1 0.0
S1 S-2 0.9024 0.7787 0.7264 1 0.0
S3 S-2 0.6951 0.2188 0.0957 1 0.0
S5 S-2 0.298 0.2303 0.1588 1 0.0
