#------------------------------------------------------------------------------
#$Date: 2016-11-28 04:19:09 +0200 (Mon, 28 Nov 2016) $
#$Revision: 188718 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/46/1544684.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_1544684
loop_
_publ_author_name
'Takeuchi, Y.'
_publ_section_title
;
 The crystal structure of vonsenite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              19
_journal_page_last               26
_journal_volume                  2
_journal_year                    1956
_chemical_formula_sum            'B4 Fe9 Mg3 O20'
_chemical_name_common            8(Fe0.625Mg0.375)O*2Fe2O3*2B2O3
_chemical_name_mineral           vonsenite
_space_group_IT_number           55
_space_group_name_H-M_alt        'P b a m'
_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            1
_cell_length_a                   9.73000
_cell_length_b                   12.35700
_cell_length_c                   3.05500
_cell_volume                     367.314
_cod_data_source_file            vonsenite.cif
_cod_data_source_block           vonsenite
_cod_original_formula_sum        'Fe9 Mg3 B4 O20'
_cod_database_code               1544684
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z'
'x, y, -z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
O1 1.0 0.160000 -0.045000 0.000000 Biso 1.000000 O
O2 1.0 0.114000 0.146000 0.500000 Biso 1.000000 O
O3 1.0 0.125000 0.375000 0.000000 Biso 1.000000 O
O4 1.0 0.384000 0.085000 0.500000 Biso 1.000000 O
O5 1.0 0.350000 0.260000 0.000000 Biso 1.000000 O
B 1.0 0.271000 0.355000 0.000000 Biso 1.000000 B
FeMg1 1.0 0.000000 0.000000 0.500000 Biso 1.000000 Fe
FeMg2 1.0 0.500000 0.000000 0.000000 Biso 1.000000 Fe
FeMg3 1.0 -0.001000 0.277000 0.500000 Biso 1.000000 Fe
Fe3+ 1.0 0.247000 0.114000 0.000000 Biso 1.000000 Fe
