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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529545.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_1529545
loop_
_publ_author_name
'Aleksandrova, M.M.'
'Dmitriev, G.A.'
'Avojan, R.L.'
_publ_section_title
;
 The probable model of the crystal structure of the twobase calcium
 hypochlorite
;
_journal_name_full               'Armyanskii Khimicheskii Zhurnal'
_journal_page_first              380
_journal_page_last               386
_journal_volume                  21
_journal_year                    1968
_chemical_formula_sum            'Ca3 Cl2 H4 O6'
_chemical_name_systematic        'Ca (O Cl)2 (Ca (O H)2)2'
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.31
_cell_length_b                   6.31
_cell_length_c                   6.49
_cell_volume                     223.787
_citation_journal_id_ASTM        AYKZAN
_cod_data_source_file            Aleksandrova_AYKZAN_1968_1747.cif
_cod_data_source_block           H4Ca3Cl2O6
_cod_original_cell_volume        223.7866
_cod_original_formula_sum        'H4 Ca3 Cl2 O6'
_cod_database_code               1529545
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,z
-x,-x+y,z
x-y,-y,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
O3 O-2 0.3333 0 0.787 1 0.0
O2 O-2 0.3333 0.6667 0.213 1 0.0
Cl1 Cl+1 0.3333 0.6667 0.536 1 0.0
Ca1 Ca+2 0.6667 0 0 1 0.0
O1 O-2 0 0 0.213 1 0.0
