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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/8/10/44/8104493.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_8104493
loop_
_publ_author_name
'Carrillo-Cabrera, W.'
'Sassmannshausen, J.'
'von Schnering, H.G.'
'Menzel, F.'
'Brockner, W.'
_publ_section_title
;
 Crystal structure of dipotassium iron thiohypodiphosphate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              150
_journal_page_last               151
_journal_volume                  202
_journal_year                    1992
_chemical_formula_sum            'Fe K2 P2 S6'
_chemical_name_systematic        'K2 Fe (P2 S6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.113
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.0622
_cell_length_b                   12.172
_cell_length_c                   7.3787
_cell_volume                     534.258
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Carrillo-Cabrera_ZEKRDZ_1992_1504.cif
_cod_data_source_block           Fe1K2P2S6
_cod_original_cell_volume        534.2583
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Fe1 K2 P2 S6'
_cod_database_code               8104493
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
Fe1 Fe+2 0 0.5 0 1 0.0
P1 P+4 0.5211 0.53742 0.86889 1 0.0
K1 K+1 0.2214 0.31819 0.53347 1 0.0
S3 S-2 0.27403 0.33245 0.0598 1 0.0
S1 S-2 0.19961 0.56924 0.7469 1 0.0
S2 S-2 0.31205 0.57512 0.25366 1 0.0
