#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/02/1510269.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_1510269
loop_
_publ_author_name
'Jeitschko, W.'
'Kuennen, B.'
'Kotzyba, G.'
'Eschen, M.'
_publ_section_title
;
 Semiconducting La2 Au P3, the metallic conductor Ce2 Au P3, and other
 rare-earth gold phosphides Ln2 Au P3 with two closely related crystal
 structures
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1699
_journal_page_last               1708
_journal_paper_doi
10.1002/1521-3749(200107)627:7<1699::AID-ZAAC1699>3.0.CO;2-V
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Au P3 Pr2'
_chemical_name_systematic        'Pr2 (Au P3)'
_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                   7.7092
_cell_length_b                   4.1875
_cell_length_c                   16.056
_cell_volume                     518.324
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            gold_332.cif
_cod_data_source_block           Au1P3Pr2
_cod_original_cell_volume        518.3242
_cod_original_formula_sum        'Au1 P3 Pr2'
_cod_database_code               1510269
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
P2 P-2 0.20313 0.25 0.20133 1 0.0
P3 P-3 0.38424 0.25 0.912 1 0.0
Au1 Au+1 0.0129 0.25 0.34843 1 0.0
Pr1 Pr+3 0.09974 0.25 0.79638 1 0.0
P1 P-2 0.03198 0.25 0.0933 1 0.0
Pr2 Pr+3 0.23377 0.25 0.52387 1 0.0
