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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/56/9005685.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_9005685
loop_
_publ_author_name
'Filatov, S. K.'
'Krivovichev, S. V.'
'Burns, P. C.'
'Vergasova, L. P.'
_publ_section_title
;
 Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8],
 the first arsenate of the feldspar group
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              537
_journal_page_last               543
_journal_paper_doi               10.1127/0935-1221/2004/0016-0537
_journal_volume                  16
_journal_year                    2004
_chemical_formula_sum            'Al1.9 As1.1 K0.9 Na0.1 O8 Si0.9 Zn0.1'
_chemical_name_mineral           Filatovite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.944
_cell_angle_gamma                90
_cell_length_a                   8.772
_cell_length_b                   13.370
_cell_length_c                   14.690
_cell_formula_units_Z            8
_cell_volume                     1549.240
_database_code_amcsd             0007076
_exptl_crystal_density_diffrn    2.838
_cod_original_formula_sum        '(K.9 Na.1) (As1.1 Si.9) (Al1.9 Zn.1) O8'
_cod_database_code               9005685
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,1/2+z
1/2+x,1/2-y,+z
-x,y,1/2-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-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
_atom_site_U_iso_or_equiv
K 0.28451 0.00038 0.06940 0.90000 0.04650
Na 0.28451 0.00038 0.06940 0.10000 0.04650
AsT1 0.00850 0.18364 0.10767 0.55000 0.01750
SiT1 0.00850 0.18364 0.10767 0.45000 0.01750
AlT2 0.00558 0.18560 0.61510 0.94000 0.02050
ZnT2 0.00558 0.18560 0.61510 0.06000 0.02050
AlT3 0.71009 0.12077 0.17143 0.96000 0.02150
ZnT3 0.71009 0.12077 0.17143 0.04000 0.02150
AsT4 0.70229 0.11568 0.67225 0.55000 0.01770
SiT4 0.70229 0.11568 0.67225 0.45000 0.01770
O1 0.00460 0.14350 0.00100 1.00000 0.02920
O2 0.62990 0.99860 0.14180 1.00000 0.03450
O3 0.83400 0.14500 0.10760 1.00000 0.04480
O4 0.81600 0.14470 0.61310 1.00000 0.04060
O5 0.02530 0.30550 0.12040 1.00000 0.02970
O6 0.03360 0.31450 0.63450 1.00000 0.03050
O7 0.17510 0.13030 0.19700 1.00000 0.03510
O8 0.18390 0.12140 0.70480 1.00000 0.03110
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007076
