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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/16/9001623.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_9001623
loop_
_publ_author_name
'Graeser, S.'
'Schwander, H.'
'Demartin, F.'
'Gramaccioli, C. M.'
'Pilati, T.'
'Reusser, E.'
_publ_section_title
;
 Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description
 and structure determination
 Note: Sample B
;
_journal_name_full               'American Mineralogist'
_journal_page_first              996
_journal_page_last               1002
_journal_volume                  79
_journal_year                    1994
_chemical_compound_source        'Lengenbach quarry, Binnatal, Switzerland'
_chemical_formula_sum            'As2 Fe2.38 O7 Ti0.58'
_chemical_name_mineral           Fetiasite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.89
_cell_angle_gamma                90
_cell_length_a                   10.616
_cell_length_b                   3.242
_cell_length_c                   8.932
_cell_formula_units_Z            2
_cell_volume                     290.857
_database_code_amcsd             0001675
_exptl_crystal_density_diffrn    4.825
_cod_original_formula_sum        'As2 Fe2.38 Ti.58 O7'
_cod_database_code               9001623
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As1 0.41010 0.25000 0.66453 1.00000
As2 0.24954 0.25000 0.24816 1.00000
Fe1 0.04912 0.25000 0.86648 1.00000
Fe2 0.64280 0.25000 0.02237 1.00000
Fe 0.88267 0.25000 0.39356 0.38000
Ti 0.88267 0.25000 0.39356 0.58000
O1 0.08160 0.25000 0.11590 1.00000
O2 0.32870 0.25000 0.10360 1.00000
O3 0.83240 0.25000 0.15860 1.00000
O4 0.99280 0.25000 0.61920 1.00000
O5 0.43350 0.25000 0.87220 1.00000
O6 0.23470 0.25000 0.59900 1.00000
O7 0.72750 0.25000 0.67630 0.50000
O8 0.55180 0.25000 0.38340 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001675
