#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000791.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_9000791
_chemical_name 'Diopside'
loop_
_publ_author_name
'Gordon W A'
'Peacor D R'
'Brown P E'
'Essene E J'
'Allard L F'
_journal_name_full "American Mineralogist"
_journal_volume 66
_journal_year 1981
_journal_page_first 127
_journal_page_last 141
_publ_section_title
;
 Exsolution relationships in a clinopyroxene of average composition
 Ca0.43Mn0.69Mg0.82Si2O6: X-ray diffraction and analytical electron microscopy
;
_chemical_formula_sum 'Mg.94 Mn.19 Ca.87 Si2 O6'
_cell_length_a 9.76
_cell_length_b 8.93
_cell_length_c 5.27
_cell_angle_alpha 90
_cell_angle_beta 106.44
_cell_angle_gamma 90
_cell_volume 440.538
_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
Mg1   0.00000   0.09290   0.75000   0.94000
Mn1   0.00000   0.09290   0.75000   0.06000
Ca2   0.00000   0.70720   0.75000   0.87000
Mn2   0.00000   0.70720   0.75000   0.13000
Si   0.21140   0.40750   0.76350   1.00000
O1   0.38290   0.41210   0.85570   1.00000
O2   0.13580   0.25100   0.67150   1.00000
O3   0.14890   0.48120   0.99940   1.00000