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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/13/1521321.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_1521321
loop_
_publ_author_name
'Migliori, A.'
'Gemmi, M.'
'Belletti, D.'
'Calestani, G.'
'Nozar, P.'
'Matacotta, F.C.'
'Dionigi, 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            Ba
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-A 2 2'
_symmetry_space_group_name_H-M   'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7
_cell_length_b                   7.3
_cell_length_c                   3.91
_cell_volume                     162.695
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Migliori_PHYCE6_1999_660.cif
_cod_data_source_block           Ba1
_cod_original_cell_volume        162.6951
_cod_original_sg_symbol_Hall     '-C 2 2 (z,x,y)'
_cod_original_formula_sum        Ba1
_cod_database_code               1521321
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z
-x,-y,z
-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,-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
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
Ba1 Ba 0 0 0 1 0.0
