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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/08/1520818.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_1520818
loop_
_publ_author_name
'Balagurov, A.M.'
'Sheptyakov, D.V.'
'Aksenov, V.L.'
'Antipov, E.V.'
'Putilin, S.N.'
'Radaelli, P.G.'
'Marezio, M.'
_publ_section_title
;
 Structure of Hg Ba2 Cu O4+d (0.06<d<0.19) at ambient and high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              7209
_journal_page_last               7215
_journal_volume                  59
_journal_year                    1999
_chemical_formula_sum            'Ba2 Cu Hg O4.069'
_chemical_name_systematic        'Hg Ba2 Cu O4.069'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8768
_cell_length_b                   3.8768
_cell_length_c                   9.4964
_cell_volume                     142.727
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Balagurov_PRBMDO_1999_705.cif
_cod_data_source_block           Ba2Cu1Hg1O4.069
_cod_original_cell_volume        142.7269
_cod_original_formula_sum        'Ba2 Cu1 Hg1 O4.069'
_cod_database_code               1520818
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
O2 O-2 0 0 0.2076 1 0.0
Ba1 Ba+2 0.5 0.5 0.3006 1 0.0
Cu1 Cu+2 0 0 0.5 1 0.0
O3 O-2 0.5 0.5 0 0.069 0.0
Hg1 Hg+2 0 0 0 1 0.0
O1 O-2 0.5 0 0.5 1 0.0
