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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/1/52/39/1523984.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_1523984
loop_
_publ_author_name
'Andersson, Y.'
'Pramatus, S.'
'Rundqvist, S.'
_publ_section_title
;
 Crystal structure refinement of alpha-Ta3 P
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              811
_journal_page_last               813
_journal_volume                  32
_journal_year                    1978
_chemical_formula_sum            'P Ta3'
_chemical_name_systematic        'Ta3 P'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.155
_cell_length_b                   10.155
_cell_length_c                   5.0128
_cell_volume                     516.940
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Andersson_ACAPCT_1978_574.cif
_cod_data_source_block           P1Ta3
_cod_original_cell_volume        516.9401
_cod_original_formula_sum        'P1 Ta3'
_cod_database_code               1523984
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/2
-x+1/2,-y+1/2,z
y+1/2,-x,z+1/2
-x,-y,-z
y,-x-1/2,-z-1/2
x-1/2,y-1/2,-z
-y-1/2,x,-z-1/2
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
Ta1 Ta+1 0.15898 0.65557 0.7435 1 0.0
Ta3 Ta+1 0.05257 0.54548 0.2474 1 0.0
P1 P-3 0.042 0.2583 0.0064 1 0.0
Ta2 Ta+1 0.10483 0.25374 0.5044 1 0.0
