#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511277.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_1511277
loop_
_publ_author_name
'Rundqvist, S.'
_publ_section_title
;
 X-ray invesigations of the ternary system Fe-B-P.
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1
_journal_page_last               19
_journal_paper_doi               10.3891/acta.chem.scand.16-0001
_journal_volume                  16
_journal_year                    1962
_chemical_formula_sum            'B0.63 Fe3 P0.37'
_chemical_name_systematic        'Fe3 P0.37 B0.63'
_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                   8.812
_cell_length_b                   8.812
_cell_length_c                   4.375
_cell_volume                     339.725
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            boron0-1_40.cif
_cod_data_source_block           B0.63Fe3P0.37
_cod_original_cell_volume        339.7246
_cod_database_code               1511277
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
Fe2 Fe 0.1115 0.2813 0.5187 1 0.0
B1 B 0.045 0.2949 0.016 0.63 0.0
Fe3 Fe 0.0742 0.5317 0.2424 1 0.0
P1 P 0.045 0.2949 0.016 0.37 0.0
Fe1 Fe 0.1678 0.6422 0.7321 1 0.0
