#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539808.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_1539808
loop_
_publ_author_name
'Evain, M.'
'Brec, R.'
'Fiechter, S.'
'Tributsch, H.'
_publ_section_title
;
 Crystal structure of a new Fe P4 modification
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              40
_journal_page_last               46
_journal_volume                  71
_journal_year                    1987
_chemical_formula_sum            'Fe P4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.14
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.0543
_cell_length_b                   10.407
_cell_length_c                   11.069
_cell_volume                     582.115
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Evain_JSSCBI_1987_343.cif
_cod_data_source_block           Fe1P4
_cod_original_cell_volume        582.1152
_cod_original_formula_sum        'Fe1 P4'
_cod_database_code               1539808
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
P4 P 0.0608 0.3973 0.02394 1 0.0
P2 P 0.2001 0.4275 0.21573 1 0.0
P3 P 0.0396 0.0926 0.04951 1 0.0
Fe1 Fe 0.25 0.25 0.5 1 0.0
Fe2 Fe 0 0.07601 0.25 1 0.0
P1 P 0.2997 0.2328 0.2921 1 0.0
