#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/11/1511152.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_1511152
loop_
_publ_author_name
'Mueller, A.'
'Wever, F.'
_publ_section_title
;
 Ueber das Zweistoffsystem Eisen-Bor und ueber die Struktur des
 Eisenborides Fe4 B2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              317
_journal_page_last               336
_journal_paper_doi               10.1002/zaac.19301920125
_journal_volume                  192
_journal_year                    1930
_chemical_formula_sum            'B Fe2'
_chemical_name_systematic        'Fe2 B'
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.098
_cell_length_b                   5.098
_cell_length_c                   4.24
_cell_volume                     110.196
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_254.cif
_cod_data_source_block           B1Fe2
_cod_original_cell_volume        110.1959
_cod_original_formula_sum        'B1 Fe2'
_cod_database_code               1511152
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+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
B1 B 0 0 0 1 0.0
B2 B 0 0 0.5 1 0.0
Fe1 Fe 0.1667 0.1667 0.2 1 0.0
