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#$Date: 2025-10-31 18:24:25 +0200 (Fri, 31 Oct 2025) $
#$Revision: 303120 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530292.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_1530292
loop_
_publ_author_name
'Kotov, V.'
'Reichstein, S.'
_publ_section_title
;
 About the structure of calcium peroxide Ca O2
;
_journal_name_full               'Zhurnal Fizicheskoi Khimii'
_journal_page_first              1057
_journal_page_last               1058
_journal_volume                  15
_journal_year                    1941
_chemical_formula_sum            'Ca O2'
_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            4
_cell_length_a                   5.01
_cell_length_b                   5.01
_cell_length_c                   5.92
_cell_volume                     148.593
_citation_journal_id_ASTM        ZFKHA9
_cod_data_source_file            Kotov_ZFKHA9_1941_1704.cif
_cod_data_source_block           Ca1O2
_cod_original_cell_volume        148.5926
_cod_original_formula_sum        'Ca1 O2'
_cod_database_code               1530292
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-y,-x,-z
x,-y,-z
y,x,-z
-x,y,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
y,x,z
-x,y,z
-y,-x,z
x,-y,z
-x+1/2,-y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
-y+1/2,x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
x+1/2,y+1/2,-z+1/2
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
y+1/2,-x+1/2,z+1/2
y+1/2,x+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
Ca1 Ca+2 0 0 0.5 1 0.0
O1 O-1 0 0 0.11 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ROD 3500004
2 ROD 3500115
3 ROD 3500163
4 ROD 3500229
