#------------------------------------------------------------------------------
#$Date: 2016-02-21 10:56:54 +0100 (dom 21 de feb de 2016) $
#$Revision: 176809 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/00/2310087.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310087
loop_
_publ_author_name
'Ito, T.'
'Watanabe, T.'
'Takeuchi, Y.'
_publ_section_title
;
 The crystal structures of warwickite, ludwigite and pinakiolite
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              98
_journal_page_last               107
_journal_paper_doi               10.1107/S0365110X50000252
_journal_volume                  3
_journal_year                    1950
_chemical_formula_sum            'B2 Fe2.6 Mg3.4 O10'
_chemical_name_systematic        'Mg3 (Mg0.4 Fe0.6) Fe2 (B2 O10)'
_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            2
_cell_length_a                   9.14
_cell_length_b                   12.45
_cell_length_c                   3.05
_cell_volume                     347.069
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            boron_178.cif
_cod_data_source_block           B2Fe2.6Mg3.4O10
_cod_original_cell_volume        347.0687
_cod_database_code               2310087
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 0.361 0.25 0 1 0.0
Mg3 Mg+2 0.5 0 0 0.4 0.0
O4 O-2 0.375 0.058 0.5 1 0.0
Mg2 Mg+2 0 0.275 0.5 1 0.0
O3 O-2 0.136 0.349 0 1 0.0
Fe3 Fe+2 0.5 0 0 0.6 0.0
O2 O-2 0.112 0.145 0.5 1 0.0
O1 O-2 0.125 -0.056 0 1 0.0
B1 B+3 0.288 0.352 0 1 0.0
Mg1 Mg+2 0 0 0.5 1 0.0
Fe1 Fe+3 0.25 0.114 0 1 0.0
