#------------------------------------------------------------------------------
#$Date: 2024-08-07 20:09:39 +0300 (Wed, 07 Aug 2024) $
#$Revision: 294031 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/77/9007780.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_9007780
loop_
_publ_author_name
'Saito, Y.'
'Ukei, K.'
'Shishido, T.'
'Fukuda, T.'
_publ_section_title
;
 Structure of Ho2Ba2Cu1+xPt1-xO8(x=0.1)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              970
_journal_page_last               972
_journal_paper_doi               10.1107/S0108270189006670
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Ho2Ba2Cu1.1Pt0.9O8
_chemical_formula_sum            'Ba2 Cu1.1 Ho2 O8 Pt0.9'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.303
_cell_length_b                   5.668
_cell_length_c                   13.178
_cell_volume                     769.561
_database_code_amcsd             0010142
_exptl_crystal_density_diffrn    8.441
_cod_original_formula_sum        'Pt.9 Cu1.1 Ho2 Ba2 O8'
_cod_database_code               9007780
_amcsd_formula_title             Ho2Ba2Cu1.1Pt0.9O8
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
1/2-x,y,1/2+z
1/2+x,-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pt 0.53290 0.25000 0.30650 0.90000 0.00481
Cu1 0.53290 0.25000 0.30650 0.10000 0.00481
Ho1 0.81260 0.25000 0.35780 1.00000 0.00735
Ho2 0.98460 0.25000 0.58230 1.00000 0.00709
Ba1 0.31380 0.25000 0.79340 1.00000 0.01064
Ba2 0.59190 0.25000 0.57740 1.00000 0.01140
Cu2 0.26840 0.25000 0.53920 1.00000 0.00836
O1 0.44600 0.00800 0.21800 1.00000 0.01229
O2 0.63600 0.00400 0.38500 1.00000 0.01115
O3 0.86300 -0.00700 0.49300 1.00000 0.01153
O4 0.39000 0.25000 0.41000 1.00000 0.01469
O5 0.68500 0.25000 0.20700 1.00000 0.00925
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_atom_labels 10224 2024-08-07 11:09:31Z saulius
;
2024-08-07T19:39:53+03:00
;Changed the following '_atom_site_label' values:
the first duplicated label 'Cu'  converted to 'Cu1'
duplicated label 'Cu' at index 6 converted to 'Cu2'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010142