#------------------------------------------------------------------------------
#$Date: 2016-02-21 11:56:54 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176809 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/00/2310088.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_2310088
loop_
_publ_author_name
'Watanabe, T.'
'Ito, 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 Mg3 Mn3 O10'
_chemical_name_systematic        'Mg3 Mn3 (B2 O10)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.57
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.36
_cell_length_b                   5.98
_cell_length_c                   12.73
_cell_volume                     351.319
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            boron_249.cif
_cod_data_source_block           B2Mg3Mn3O10
_cod_original_cell_volume        351.3191
_cod_database_code               2310088
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
Mg2 Mg+2 -0.053 0.25 0.197 1 0.0
O5 O-2 0.643 0 0.18 1 0.0
Mn1 Mn+2 -0.053 0.75 0.197 1 0.0
O1 O-2 0.239 0.25 -0.011 1 0.0
Mn3 Mn+3 0.5 0 0.5 1 0.0
O6 O-2 0.202 0.25 0.396 1 0.0
O4 O-2 0.638 0 0.366 1 0.0
O3 O-2 0.175 0 0.175 1 0.0
Mg1 Mg+2 0 0 0 1 0.0
O7 O-2 0.202 0.75 0.396 1 0.0
B1 B+3 0.5 0 0.25 1 0.0
Mn2 Mn+3 0.5 0 0 1 0.0
O2 O-2 0.239 0.75 -0.011 1 0.0
Mg3 Mg+2 0 0.25 0.5 1 0.0
