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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/11/1511157.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_1511157
loop_
_publ_author_name
'Yamnova, N.A.'
'Simonov, M.A.'
'Belov, N.V.'
_publ_section_title
;
 Crystal structure of Fe-Mg borate Hulsite ((Fe2+), Mg, (Fe3+), Sn)3 B O3
 O2
;
_journal_name_full               Kristallografiya
_journal_page_first              156
_journal_page_last               159
_journal_volume                  20
_journal_year                    1975
_chemical_formula_sum            'B Fe3 O5'
_chemical_name_systematic        'Fe3 (B O3) O2'
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.15
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.681
_cell_length_b                   3.094
_cell_length_c                   5.433
_cell_volume                     179.074
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            boron0-1_260.cif
_cod_data_source_block           B1Fe3O5
_cod_original_cell_volume        179.0737
_cod_original_formula_sum        'B1 Fe3 O5'
_cod_database_code               1511157
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,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
Fe3 Fe+2 0.5 0 0 1 0.0
Fe5 Fe+3 0.2751 0.5 0.219 1 0.0
O3 O-2 0.694 0 0.051 1 0.0
Fe1 Fe+2 0 0 0 1 0.0
O2 O-2 0.47 0.5 0.24 1 0.0
Fe2 Fe+2 0 0.5 0.5 1 0.0
O4 O-2 0.89 0 0.308 1 0.0
Fe4 Fe+2 0.5 0 0.5 1 0.0
O5 O-2 0.093 0.5 0.183 1 0.0
B1 B+3 0.76 0 0.288 1 0.0
O1 O-2 0.303 0 0.493 1 0.0
