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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/1/54/08/1540871.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_1540871
loop_
_publ_author_name
'von Schnering, H.G.'
'Menge, G.'
_publ_section_title
;
 Al Si P3, a compound with a novel wurtzite-pyrite intergrowth structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              13
_journal_page_last               19
_journal_volume                  28
_journal_year                    1979
_chemical_formula_sum            'Al P3 Si'
_chemical_name_systematic        'Al Si 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                   5.861
_cell_length_b                   9.872
_cell_length_c                   6.088
_cell_volume                     352.250
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            vonSchnering_JSSCBI_1979_307.cif
_cod_data_source_block           Al1P3Si1
_cod_original_cell_volume        352.2504
_cod_original_formula_sum        'Al1 P3 Si1'
_cod_database_code               1540871
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
P1 P 0.3876 0.25 0.5861 1 0.0
Si1 Si 0.4992 0.25 0.9384 1 0.0
P2 P 0.389 0.0586 0.108 1 0.0
Al1 Al 0 0 0 1 0.0
