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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011349.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_9011349
loop_
_publ_author_name
'Menchetti, S.'
'Sabelli, C.'
'Trosti-Ferroni R'
_publ_section_title
;
 The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O
 Note: anisoB's from ICSD, corrected
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1506
_journal_page_last               1510
_journal_paper_doi               10.1107/S0108270184008532
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl O5.27 Sb4'
_chemical_name_mineral           Onoratoite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.25
_cell_angle_gamma                90
_cell_length_a                   19.047
_cell_length_b                   4.0530
_cell_length_c                   10.318
_cell_formula_units_Z            4
_cell_volume                     747.292
_database_code_amcsd             0009996
_exptl_crystal_density_diffrn    5.393
_cod_original_formula_sum        'Sb4 O5.27 Cl'
_cod_database_code               9011349
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-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
Sb1 0.27181 0.00000 0.17370 1.00000 0.02964
Sb2 -0.00472 0.50000 0.30050 1.00000 0.02571
Sb3 0.08770 0.00000 -0.01030 1.00000 0.02166
Sb4 0.18592 0.50000 0.35510 1.00000 0.02102
O1 0.22900 0.50000 0.20200 0.84000 0.04661
O2 -0.03500 0.00000 0.21900 0.89000 0.05775
O3 0.07400 0.50000 -0.10100 0.72000 0.04015
O4 0.19800 0.00000 0.28400 0.82000 0.05433
O5 0.19200 0.00000 -0.01200 1.00000 0.01912
O6 0.08200 0.50000 0.24000 1.00000 0.02698
Cl 0.11580 0.00000 0.51990 1.00000 0.04914
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009996
