#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/83/1528347.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_1528347
loop_
_publ_author_name
'Belkyal, I.'
'El Azhari, M.'
'Wu, Y.-D.'
'Depmeier, W.'
'Hesse, K.F.'
'Bensch, W.'
_publ_section_title
;
 Synthesis and crystal structure of the new quaternary thiophosphate K Pb
 P S4
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              59
_journal_page_last               63
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'K P Pb S4'
_chemical_name_systematic        'K Pb P S4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.045
_cell_length_b                   6.66
_cell_length_c                   6.473
_cell_volume                     734.813
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Belkyal_SSSCFJ_2006_691.cif
_cod_data_source_block           K1P1Pb1S4
_cod_original_formula_sum        'K1 P1 Pb1 S4'
_cod_database_code               1528347
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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_occupancy
_atom_site_U_iso_or_equiv
K1 K+1 0.2908 0.25 0.4997 1 0.0
Pb1 Pb+2 0.0203 0.25 0.7139 1 0.0
S2 S-2 0.98 0.25 0.1535 1 0.0
P1 P+5 0.0991 0.25 0.2179 1 0.0
S3 S-2 0.124 0.0034 0.3939 1 0.0
S1 S-2 0.165 0.25 0.9565 1 0.0
