#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/03/1510355.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_1510355
loop_
_publ_author_name
'Jeitschko, W.'
'Eschen, M.'
'Wallinda, J.'
_publ_section_title
;
 Preparation and crystal structure of Au1-x Sn1+y P14 and other
 polyphosphides with (Hg Pb P14)-type structure
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2764
_journal_page_last               2771
_journal_paper_doi
10.1002/1521-3749(200212)628:12<2764::AID-ZAAC2764>3.0.CO;2-6
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Au0.64 P14 Sn1.36'
_chemical_name_systematic        'Au0.64 Sn1.36 P14'
_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                   12.595
_cell_length_b                   9.82
_cell_length_c                   10.562
_cell_volume                     1306.339
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            gold_43.cif
_cod_data_source_block           Au0.64P14Sn1.36
_cod_database_code               1510355
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
P9 P 0.4711 0.25 0.659 1 0.0
P7 P 0.1744 0.25 0.6507 1 0.0
P8 P 0.4143 0.25 0.0977 1 0.0
P3 P 0.07708 0.0795 0.58154 1 0.0
P5 P 0.35867 0.0482 0.3669 1 0.0
Sn2 Sn 0.67647 0.21935 0.59478 0.5 0.0
P2 P 0.06891 0.5829 0.29061 1 0.0
P4 P 0.3181 0.0775 0.16641 1 0.0
Sn1 Sn+4 0.32238 0.25 0.49853 0.356 0.0
P1 P 0.0318 0.0768 0.14867 1 0.0
P6 P 0.0586 0.25 0.2794 1 0.0
Au1 Au+1 0.32238 0.25 0.49853 0.644 0.0
