#------------------------------------------------------------------------------
#$Date: 2015-10-14 00:30:39 +0200 (Wed 14 de Oct de 2015) $
#$Revision: 167847 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/90/1539094.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_1539094
loop_
_publ_author_name
'Sillen, L.G.'
'Gjoerling-Husberg, A.S.'
_publ_section_title
;
 Roentgenuntersuchung von Calcium/Wismutoxychloriden und -oxybromiden
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              121
_journal_page_last               134
_journal_volume                  248
_journal_year                    1941
_chemical_formula_sum            'Bi1.5 Ca1.25 Cl3 O2'
_chemical_name_systematic        'Ca0.75 (Ca0.5 Bi1.5) O2 Cl3'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.897
_cell_length_b                   3.897
_cell_length_c                   21.69
_cell_volume                     329.398
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sillen_ZAACAB_1941_1960.cif
_cod_data_source_block           Bi1.5Ca1.25Cl3O2
_cod_original_cell_volume        329.3976
_cod_database_code               1539094
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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 0 0.5 0.75 0.0
Cl1 Cl-1 0 0 0.373 1 0.0
Bi1 Bi+3 0 0 0.195 0.75 0.0
O1 O-2 0 0.5 0.25 1 0.0
Cl2 Cl-1 0 0 0 1 0.0
Ca1 Ca+2 0 0 0.195 0.25 0.0
