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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007985.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_9007985
loop_
_publ_author_name
'Ouerfelli, N.'
'Zid, M. F.'
'Jouini, T.'
_publ_section_title
;
 Compose a charpente bidimensionnelle K3Fe3(AsO4)4
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i67
_journal_page_last               i69
_journal_paper_doi               10.1107/S1600536805008998
_journal_volume                  61
_journal_year                    2005
_chemical_formula_structural     K3Fe3(AsO4)4
_chemical_formula_sum            'As4 Fe3 K3 O16'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.898
_cell_length_b                   21.521
_cell_length_c                   6.623
_cell_formula_units_Z            4
_cell_volume                     1553.331
_exptl_crystal_density_diffrn    3.594
_cod_original_formula_sum        'K3 Fe3 As4 O16'
_cod_database_code               9007985
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,1/2+y,1/2-z
1/2+x,+y,1/2-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+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
K1 0.00000 0.16420 -0.42710 0.61400 0.04220
K2 0.22690 0.27000 0.12200 0.19300 0.04220
K3 -0.08700 0.18600 -0.42000 0.08700 0.05200
K4 0.25000 0.27150 0.25000 0.19900 0.05200
K5 0.25000 0.25000 0.00000 0.09100 0.05200
K6 0.00000 -0.04700 0.47800 0.03600 0.05200
Fe1 0.00000 0.00000 0.00000 1.00000 0.01770
Fe2 0.25000 0.08971 0.25000 1.00000 0.01410
As1 0.00000 0.15191 0.07045 1.00000 0.01320
As2 0.25000 -0.04411 0.25000 1.00000 0.00860
O1 0.00000 0.08700 -0.07120 1.00000 0.01420
O2 0.13770 0.01100 0.20590 1.00000 0.01000
O3 0.21420 -0.08820 0.44900 1.00000 0.01270
O4 0.12350 0.15060 0.22610 1.00000 0.01740
O5 0.00000 0.21390 -0.07580 1.00000 0.03100
