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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001989.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_9001989
_chemical_name 'Kanoite'
loop_
_publ_author_name
'Arlt T'
'Angel R J'
'Miletich R'
'Armbruster T'
'Peters T'
_journal_name_full "American Mineralogist"
_journal_volume 83
_journal_year 1998
_journal_page_first 1176
_journal_page_last 1181
_publ_section_title
;
 High-pressure P2_1/c-C2/c phase transitions in clinopyroxenes:
 Influence of cation size and electronic structure
 Sample at P = 5.2 GPa
;
_chemical_formula_sum '(Mg.786 Mn.214) Si O3'
_cell_length_a 9.4199
_cell_length_b 8.7830
_cell_length_c 5.0201
_cell_angle_alpha 90
_cell_angle_beta 103.050
_cell_angle_gamma 90
_cell_volume 404.611
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Mg1   0.00000   0.90640   0.25000   0.83600   0.01381
Mn1   0.00000   0.90640   0.25000   0.16400   0.01381
Mn2   0.00000   0.28120   0.25000   0.26400   0.01077
Mg2   0.00000   0.28120   0.25000   0.73600   0.01077
Si   0.29450   0.09100   0.21870   1.00000   0.01102
O1   0.12250   0.08810   0.14090   1.00000   0.01279
O2   0.37580   0.24270   0.36150   1.00000   0.01229
O3   0.34880   0.05140   0.93390   1.00000   0.01456