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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/16/1521685.cif $
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#
# 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_1521685
loop_
_publ_author_name
'Zubkova, N.V.'
'Pushcharovskii, D.Yu.'
'Atencio, D.'
'Arakcheeva, A.V.'
'Matioli, P.A.'
_publ_section_title
;
 The crystal structure of lewisite, (Ca, Sb(3+), Fe(3+), Al, Na, Mn,
 (vac))2 (Sb(5+), Ti)2 O6 (O H)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              75
_journal_page_last               79
_journal_volume                  296
_journal_year                    2000
_chemical_formula_sum
'Al0.1 Ca0.91 Fe0.19 H Mn0.06 Na0.1 O7 Sb1.55 Ti0.72'
_chemical_name_systematic
;
(Ca0.91 Sb0.27 Fe0.19 Al0.10 Na0.10 Mn0.06) (Sb1.28 Ti0.72) O6 (O H)
;
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.311
_cell_length_b                   10.311
_cell_length_c                   10.311
_cell_volume                     1096.232
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Zubkova_JALCEU_2000_1190.cif
_cod_data_source_block           H1Al0.1Ca0.91Fe0.19Mn0.06Na0.1O7Sb1.55Ti0.72
_cod_original_formula_sum
'H1 Al0.1 Ca0.91 Fe0.19 Mn0.06 Na0.1 O7 Sb1.55 Ti0.72'
_cod_database_code               1521685
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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 0.3236 0.125 0.125 1 0.0
Ti1 Ti+4 0 0 0 0.36 0.0
O2 O-2 0.375 0.375 0.375 1 0.0
Al1 Al+3 0.5 0.5 0.5 0.05 0.0
Ca1 Ca+2 0.5 0.5 0.5 0.455 0.0
Sb1 Sb+3 0.5 0.5 0.5 0.135 0.0
Sb2 Sb+5 0 0 0 0.64 0.0
Mn1 Mn+2 0.5 0.5 0.5 0.03 0.0
Fe1 Fe+3 0.5 0.5 0.5 0.095 0.0
Na1 Na+1 0.5 0.5 0.5 0.05 0.0
