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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529624.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_1529624
loop_
_publ_author_name
'Ben Amor, M.'
'Louer, M.'
'le Marouille, J.Y.'
_publ_section_title
;
 Cristallochimie. - Determination de la structure cristalline du chromate
 de calcium dihydrate beta Ca Cr O4 (H2 O)2
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              725
_journal_page_last               728
_journal_volume                  294
_journal_year                    1982
_chemical_formula_sum            'Ca Cr H4 O6'
_chemical_name_systematic        'Ca Cr O4 (H2 O)2'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.595
_cell_length_b                   15.715
_cell_length_c                   11.382
_cell_volume                     1000.767
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            BenAmor_CHDCAQ_1982_773.cif
_cod_data_source_block           H4Ca1Cr1O6
_cod_original_formula_sum        'H4 Ca1 Cr1 O6'
_cod_database_code               1529624
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,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
O2 O-2 0.2715 0.0155 0.3802 1 0.0
O6 O-2 0.1899 -0.0367 0.75 1 0.0
O4 O-2 0.2483 0.0997 0.5855 1 0.0
Ca1 Ca+2 0.516 0.07701 0.75 1 0.0
O7 O-2 0.7939 0.3307 0.3718 1 0.0
Ca2 Ca+2 0.7715 0.19698 0.25 1 0.0
O5 O-2 0.3816 0.2262 0.75 1 0.0
O1 O-2 0.0887 0.1712 0.3866 1 0.0
O3 O-2 0.5571 0.1504 0.4187 1 0.0
Cr1 Cr+6 0.29198 0.10782 0.44302 1 0.0
