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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009949.cif $
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#
# 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_9009949
_chemical_name 'Manganaxinite'
loop_
_publ_author_name
'Belokoneva E L'
'Pletnev P A'
'Spiridonov E M'
_journal_name_full "Crystallography Reports"
_journal_volume 42
_journal_year 1997
_journal_page_first 934
_journal_page_last 937
_publ_section_title
;
 Crystal structure of low-manganese tinzenite (severginite)
 Note: O2 position not included in the paper, so we deduced it from the reported
 Locality: Tungatarovskoe manganese deposit, Izhevsk, Udmurt Republic, Russia
;
_chemical_formula_sum 'Ca1.65 Mn1.2 Mg.1 (Fe.2 Al1.8) Si4 B O16 H.5'
_cell_length_a 7.162
_cell_length_b 9.207
_cell_length_c 8.972
_cell_angle_alpha 91.84
_cell_angle_beta 98.16
_cell_angle_gamma 77.34
_cell_volume 571.390
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1   0.74636   0.34794   0.39465   0.82500
Mn1   0.74636   0.34794   0.39465   0.17500
Ca2   0.18273   0.10074   0.08367   0.82500
Mn2   0.18273   0.10074   0.08367   0.17500
Mn   0.76769   0.59176   0.11298   0.85000
Mg   0.76769   0.59176   0.11298   0.10000
Fe1   0.05266   0.80046   0.25434   0.12000
Al1   0.05266   0.80046   0.25434   0.88000
Al2   0.35180   0.93610   0.42095   0.92000
Fe2   0.35180   0.93610   0.42095   0.08000
Si1   0.21046   0.45001   0.23341   1.00000
Si2   0.21906   0.27451   0.52291   1.00000
Si3   0.69890   0.25686   0.01140   1.00000
Si4   0.64166   0.01895   0.23042   1.00000
B   0.46210   0.63453   0.28681   1.00000
O1   0.05280   0.60280   0.19080   1.00000
O2   0.23170   0.33980   0.09400   1.00000
O3   0.41900   0.48700   0.31161   1.00000
O4   0.13630   0.37140   0.36900   1.00000
O5   0.02150   0.24240   0.56380   1.00000
O6   0.32600   0.38010   0.64490   1.00000
O7   0.38080   0.12730   0.49600   1.00000
O8   0.53450   0.34340   0.87720   1.00000
O9   0.87610   0.15570   0.93330   1.00000
O10   0.76800   0.36850   0.13820   1.00000
O11   0.60470   0.13452   0.08730   1.00000
O12   0.43620   0.98180   0.24360   1.00000
O13   0.72110   0.09960   0.38470   1.00000
O14   0.79360   0.87350   0.17790   1.00000
O15   0.32550   0.74630   0.35440   1.00000
O-H16   0.09600   0.99560   0.32250   1.00000