#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000890.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9000890
loop_
_publ_author_name
'Swinnea, J. S.'
'Steinfink, H.'
_publ_section_title
;
 Crystal structure and Mossbauer spectrum of vonsenite, 2FeO*FeBO3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              827
_journal_page_last               832
_journal_volume                  68
_journal_year                    1983
_chemical_formula_sum            'B Fe3 O5'
_chemical_name_mineral           Vonsenite
_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_length_a                   9.463
_cell_length_b                   12.305
_cell_length_c                   3.0727
_cell_formula_units_Z            4
_cell_volume                     357.792
_database_code_amcsd             0000909
_exptl_crystal_density_diffrn    4.796
_cod_original_formula_sum        'Fe3 B O5'
_cod_database_code               9000890
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.00000 0.00000 0.00000
Fe2 0.50000 0.00000 0.50000
Fe3 0.00040 0.27416 0.00000
Fe4 0.74430 0.38768 0.50000
B1 0.26830 0.36080 0.50000
O1 0.84310 0.04220 0.50000
O2 0.38760 0.07870 0.00000
O3 0.62270 0.13820 0.50000
O4 0.11290 0.14090 0.00000
O5 0.84020 0.23650 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000909
