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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/43/9004344.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_9004344
loop_
_publ_author_name
'Cooper, M. A.'
'Hawthorne, F. C.'
'Novak, M.'
_publ_section_title
;
 The crystal structure of tusionite, MnSn(BO3)2,
 a dolomite-structure borate
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              903
_journal_page_last               907
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'B2 Mn O6 Sn'
_chemical_name_mineral           Tusionite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.781
_cell_length_b                   4.781
_cell_length_c                   15.381
_cell_volume                     304.476
_exptl_crystal_density_diffrn    4.765
_[local]_cod_cif_authors_sg_H-M  'R -3'
_[local]_cod_chemical_formula_sum_orig 'Mn Sn B2 O6'
_cod_database_code               9004344
_amcsd_database_code             AMCSD#0005377
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn 0.00720 0.00720 0.01280 0.00360 0.00000 0.00000
Sn 0.00360 0.00360 0.01140 0.00180 0.00000 0.00000
B 0.00620 0.00620 0.01240 0.00310 0.00000 0.00000
O 0.00640 0.00800 0.01830 0.00460 -0.00100 -0.00170
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn 0.00000 0.00000 0.00000
Sn 0.00000 0.00000 0.50000
B 0.00000 0.00000 0.24440
O 0.28000 -0.01550 0.24530