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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015376.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_9015376
loop_
_publ_author_name
'Birdwishtell, T.'
'Klein, C.'
'Jeffries, T.'
'Stevens, E.'
'O'Connor C'
_publ_section_title
;
 Synthesis and crystal structures of the layered I-III-V Zintl phases,
 K4In4X6, where X=As, Sb
 _cod_database_code 1008526
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              555
_journal_page_last               558
_journal_paper_doi               10.1039/jm9910100555
_journal_volume                  1
_journal_year                    1991
_chemical_formula_sum            'In2 K2 Sb3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.54
_cell_angle_gamma                90
_cell_length_a                   15.288
_cell_length_b                   7.544
_cell_length_c                   16.790
_cell_formula_units_Z            8
_cell_volume                     1936.350
_database_code_amcsd             0016419
_exptl_crystal_density_diffrn    4.618
_cod_duplicate_entry             1008526
_cod_original_formula_sum        'In2 Sb3 K2'
_cod_database_code               9015376
_amcsd_formula_title             'In4 K4 Sb6'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
In1 0.31683 0.22070 0.16490
In2 0.09279 0.21300 0.22865
In3 0.81775 0.23750 0.32674
In4 0.59240 0.23600 0.25969
Sb1 0.97512 0.03650 0.33134
Sb2 0.47880 0.03370 0.15869
Sb3 0.25040 0.21630 0.32216
Sb4 0.33262 0.56380 0.10330
Sb5 0.16193 0.05500 0.08857
Sb6 0.74944 0.33660 0.17317
K1 0.85850 0.53360 0.00880
K2 0.65430 0.44920 0.52260
K3 0.07780 0.53520 0.38870
K4 0.55820 0.55620 0.10110
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016419
