#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532567.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_1532567
loop_
_publ_author_name
'Hyatt, N.C.'
'Gameson, I.'
_publ_section_title
;
 The crystal structure of Hg0.75 Mo0.25 Sr2 Cu O4.5+d, determined
 byneutron powder diffraction
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              230
_journal_page_last               236
_journal_volume                  391
_journal_year                    2003
_chemical_formula_sum            'Cu Hg0.75 Mo0.25 O4.6 Sr2'
_chemical_name_systematic        '((Hg O2)0.75 (Mo O4)0.25) Sr2 (Cu O2) O0.1'
_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                   3.7794
_cell_length_b                   3.7794
_cell_length_c                   8.86
_cell_volume                     126.555
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Hyatt_PHYCE6_2003_877.cif
_cod_data_source_block           Cu1Hg0.75Mo0.25O4.6Sr2
_cod_original_formula_sum        'Cu1 Hg0.75 Mo0.25 O4.6 Sr2'
_cod_database_code               1532567
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
O1 O-2 0.5 0 0.5 1 0.0
O5 O-2 0.5 0.5 0 0.1 0.0
Cu1 Cu+2 0 0 0.5 1 0.0
Sr1 Sr+2 0.5 0.5 0.2958 1 0.0
Mo1 Mo+6 0.11 0 0 0.063 0.0
O4 O-2 0.376 0.376 0 0.126 0.0
Hg1 Hg+2 0 0 0 0.748 0.0
O2 O-2 0 0 0.2225 0.748 0.0
O3 O-2 0.134 0 0.169 0.063 0.0
