#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/11/1511158.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_1511158
loop_
_publ_author_name
'Federico, M.'
_publ_section_title
;
 Sulla Breislakite
;
_journal_name_full               'Periodico di Mineralogia'
_journal_page_first              191
_journal_page_last               214
_journal_volume                  26
_journal_year                    1957
_chemical_formula_sum            'B Fe3 O5'
_chemical_name_systematic        'Fe3 (B O3) O2'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5
_cell_length_b                   12.4
_cell_length_c                   3.1
_cell_volume                     365.180
_citation_journal_id_ASTM        PEMIA7
_cod_data_source_file            boron0-1_261.cif
_cod_data_source_block           B1Fe3O5
_cod_original_cell_volume        365.18
_cod_original_formula_sum        'B1 Fe3 O5'
_cod_database_code               1511158
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-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
O5 O-2 0.351 0.252 0 1 0.0
Fe2 Fe+2 0 0.266 0.5 1 0.0
Fe3 Fe+2 0 0 0.5 1 0.0
O3 O-2 0.116 0.364 0 1 0.0
B1 B+3 0.278 0.362 0 1 0.0
Fe4 Fe+2 0.5 0 0 1 0.0
O1 O-2 0.346 0.476 0 1 0.0
O2 O-2 0.123 0.163 0.5 1 0.0
Fe1 Fe+3 0.252 0.119 0 1 0.0
O4 O-2 0.378 0.058 0.5 1 0.0
