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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/1/52/97/1529752.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_1529752
loop_
_publ_author_name
'Chaix-Pluchery, O.'
'Niepce, J.-C.'
'Bouillot, J.'
'Pannetier, J.'
_publ_section_title
;
 Structural prereactional transformations in Ca (O H)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              225
_journal_page_last               234
_journal_volume                  67
_journal_year                    1987
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_systematic        'Ca (O H)2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.5956
_cell_length_b                   3.5956
_cell_length_c                   4.928
_cell_volume                     55.175
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Chaix-Pluchery_JSSCBI_1987_1396.cif
_cod_data_source_block           H2Ca1O2
_cod_original_cell_volume        55.17522
_cod_original_formula_sum        'H2 Ca1 O2'
_cod_database_code               1529752
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
-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
Ca1 Ca+2 0 0 0 1 0.0
H1 H+1 0.3333 0.6667 0.425 1 0.0
O1 O-2 0.3333 0.6667 0.2341 1 0.0
