#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/00/84/1008465.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_1008465
loop_
_publ_author_name
'Eisenmann, B'
'Klein, J'
'Somer, M'
_publ_section_title
;
Crystal structure of dipotassium catena-phosphidoaurate
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              277
_journal_page_last               278
_journal_volume                  197
_journal_year                    1991
_chemical_formula_structural     'K2 Au P'
_chemical_formula_sum            'Au K2 P'
_chemical_name_systematic        'Dipotassium catena-phosphidoaurate'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.(0)
_cell_angle_beta                 90.(0)
_cell_angle_gamma                90.(0)
_cell_formula_units_Z            4
_cell_length_a                   9.787(4)
_cell_length_b                   7.395(3)
_cell_length_c                   6.168(2)
_cell_volume                     446.4
_refine_ls_R_factor_all          0.03
_cod_database_code               1008465
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,y,1/2-z
x,-y,1/2+z
-x,-y,-z
-x,y,z
-x,-y,1/2+z
-x,y,1/2-z
1/2+x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2-y,-z
1/2-x,1/2+y,z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Au1 Au1+ 4 b 0. 0.5 0. 1. 0 d
P1 P3- 4 c 0. 0.25211(60) 0.25 1. 0 d
K1 K1+ 8 g 0.32785(30) 0.35486(40) 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Au1+ 1.000
P3- -3.000
K1+ 1.000
