#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/13/1521320.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_1521320
loop_
_publ_author_name
'Migliori, A.'
'Gemmi, M.'
'Calestani, G.'
'Dionigi, C.'
'Belletti, D.'
'Nozar, P.'
'Matacotta, F.C.'
_publ_section_title
;
 Structure determination by electron diffraction and HREM of the
 incommensurate modulated phase Bax Cu O2 (0.67 < x < 0.70)
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              89
_journal_page_last               103
_journal_volume                  328
_journal_year                    1999
_chemical_formula_sum            'Cu O2'
_space_group_IT_number           22
_symmetry_space_group_name_Hall  'F 2 2'
_symmetry_space_group_name_H-M   'F 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4
_cell_length_b                   7.3
_cell_length_c                   2.73
_cell_volume                     227.191
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Migliori_PHYCE6_1999_659.cif
_cod_data_source_block           Cu1O2
_cod_original_cell_volume        227.1906
_cod_original_formula_sum        'Cu1 O2'
_cod_database_code               1521320
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,y,-z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-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
Cu1 Cu 0.25 0.25 0.25 1 0.0
O1 O 0.15 0.25 0.75 1 0.0
