#------------------------------------------------------------------------------
#$Date: 2015-09-08 22:37:36 +0300 (Tue, 08 Sep 2015) $
#$Revision: 155314 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/02/1530246.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_1530246
loop_
_publ_author_name
'Lasocha, W.'
'Eick, H.A.'
_publ_section_title
;
 The Structure of Ca0.3 Sr0.7 Cl2 and Ca0.46 Sr0.54 Cl2 by the X-Ray
 Rietveld Refinement Procedure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              175
_journal_page_last               182
_journal_volume                  75
_journal_year                    1988
_chemical_formula_sum            'Ca0.46 Cl2 Sr0.54'
_chemical_name_systematic        'Ca.46 Sr.54 Cl2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.421
_cell_length_b                   7.053
_cell_length_c                   6.817
_cell_volume                     645.286
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lasocha_JSSCBI_1988_1632.cif
_cod_data_source_block           Ca0.46Cl2Sr0.54
_cod_original_cell_volume        645.2857
_cod_database_code               1530246
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,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
Ca1 Ca+2 0.1105 0.463 0.27 0.46 0.0
Cl1 Cl-1 0.216 0.114 0.141 1 0.0
Cl2 Cl-1 -0.031 0.251 -0.024 1 0.0
Sr1 Sr+2 0.1105 0.463 0.27 0.54 0.0
