#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/05/8100520.cif $
#------------------------------------------------------------------------------
#
# 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_8100520
loop_
_publ_author_name
'Víctor Manriquez'
'Antonio Galdámez'
'D. Ruiz León'
'M. T. Garland'
_publ_section_title
;
Crystal structure of potassium antimony hexathio-diphosphate, KSbP₂S₆
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              403
_journal_page_last               404
_journal_paper_doi               10.1524/ncrs.2003.218.4.403
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'K P2 S6 Sb'
_chemical_formula_weight         415.15
_chemical_name_common            ' Potassium Antimony hexathiodiphosphate'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.11(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.6050(13)
_cell_length_b                   7.6511(15)
_cell_length_c                   9.754(2)
_cell_measurement_temperature    293(2)
_cell_volume                     492.60(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.799
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'K Sb P2 S6 '
_cod_database_code               8100520
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.81740(3) 0.76783(2) 0.98199(2) 0.02255(7) Uani 1 d . . .
K K 0.69550(13) 1.05338(14) 0.50699(9) 0.0332(2) Uani 1 d . . .
P1 P 0.69225(13) 0.34919(12) 0.82655(9) 0.01728(18) Uani 1 d . . .
P2 P 0.79569(14) 0.56782(12) 0.69610(9) 0.01875(19) Uani 1 d . . .
S1 S 0.67156(14) 0.46418(13) 1.01839(8) 0.0230(2) Uani 1 d . . .
S2 S 0.91096(14) 0.15923(13) 0.82753(10) 0.02313(19) Uani 1 d . . .
S3 S 0.42846(12) 0.26256(17) 0.74772(8) 0.02313(17) Uani 1 d . . .
S4 S 1.05469(14) 0.64376(13) 0.80623(10) 0.02364(19) Uani 1 d . . .
S5 S 0.58781(13) 0.75455(15) 0.73068(9) 0.02497(19) Uani 1 d . . .
S6 S 0.82713(15) 0.48435(15) 0.50784(10) 0.0286(2) Uani 1 d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb S4 2.5484(12) . ?
Sb S5 2.8364(12) . ?
Sb S1 2.5450(11) . ?
Sb S2 2.6676(12) 2_757 ?
K S6 3.2054(16) 2_756 ?
K S5 3.2571(15) . ?
K S5 3.3055(16) 2_656 ?
K S3 3.4124(15) 2_656 ?
K S3 3.3899(15) 1_565 ?
K S6 3.4100(16) 1_565 ?
K S6 3.4899(16) 2_656 ?
K S2 3.4827(16) 1_565 ?
K S4 3.5926(16) 2_756 ?
K P2 3.7402(17) 2_656 ?
K K 4.6149(12) 2_646 ?
K K 4.6149(12) 2_656 ?
P1 S3 1.9918(13) . ?
P1 S1 2.0768(13) . ?
P1 S2 2.0490(13) . ?
P1 P2 2.2244(13) . ?
P2 S6 1.9625(14) . ?
P2 S4 2.0695(14) . ?
P2 S5 2.0185(14) . ?
P2 K 3.7402(17) 2_646 ?
S2 Sb 2.6676(12) 2_747 ?
S2 K 3.4827(16) 1_545 ?
S3 K 3.4124(15) 2_646 ?
S3 K 3.3899(15) 1_545 ?
S4 K 3.5926(16) 2_746 ?
S5 K 3.3055(16) 2_646 ?
S6 K 3.2054(16) 2_746 ?
S6 K 3.4100(16) 1_545 ?
S6 K 3.4899(16) 2_646 ?
