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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/58/9015872.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015872
loop_
_publ_author_name
'Maignan, A.'
'Martin, C.'
'Michel, C.'
'Hervieu, M.'
'Raveau, B.'
_publ_section_title
;
 A new "1201" mercury-based cuprate with Hg Ce mixed layers: the oxide
 Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d
 _cod_database_code 1001652
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              347
_journal_page_last               354
_journal_paper_doi               10.1006/jssc.1995.1225
_journal_volume                  116
_journal_year                    1995
_chemical_formula_sum            'Ce Cu2.2 Hg0.8 La1.2 O10 Sr2.8'
_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_length_a                   3.7352
_cell_length_b                   7.5749
_cell_length_c                   17.9657
_cell_formula_units_Z            2
_cell_volume                     508.317
_database_code_amcsd             0013864
_exptl_crystal_density_diffrn    6.615
_cod_duplicate_entry             1001652
_cod_original_formula_sum        'Hg.8 Cu2.2 Ce (La1.2 Sr2.8) O10'
_cod_database_code               9015872
_amcsd_formula_title             'Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
x,y,-z
x,1/2+y,1/2-z
-x,-y,z
-x,1/2-y,1/2+z
x,-y,z
x,1/2-y,1/2+z
-x,y,-z
-x,1/2+y,1/2-z
-x,y,z
-x,1/2+y,1/2+z
x,-y,-z
x,1/2-y,1/2-z
-x,-y,-z
-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg1 0.00000 0.00000 0.00000 0.80000
Cu1 0.00000 0.00000 0.00000 0.20000
Ce1 0.00000 0.50000 0.00000 1.00000
La1 0.50000 0.25000 0.14770 0.30000
Sr1 0.50000 0.25000 0.14770 0.70000
Cu2 0.00000 0.00000 0.25000 1.00000
O1 0.00000 0.00000 0.11240 1.00000
O2 0.00000 0.00000 0.61240 1.00000
O3 0.50000 0.00000 0.25000 1.00000
O4 0.00000 0.25000 0.25000 1.00000
O5 0.50000 0.34000 0.00000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013864
