#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000506.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_9000506
_chemical_name 'Diopside'
loop_
_publ_author_name
'Finger L W'
'Ohashi Y'
_journal_name_full "American Mineralogist"
_journal_volume 61
_journal_year 1976
_journal_page_first 303
_journal_page_last 310
_publ_section_title
;
 The thermal expansion of diopside to 800 C and a refinement of the crystal
 structure at 700 C
 T = 700 C
;
_chemical_formula_sum 'Ca Mg Si2 O6'
_cell_length_a 9.804
_cell_length_b 9.030
_cell_length_c 5.275
_cell_angle_alpha 90
_cell_angle_beta 105.98
_cell_angle_gamma 90
_cell_volume 448.951
_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
Ca   0.00000   0.90670   0.25000
Mg   0.00000   0.30030   0.25000
Si   0.28640   0.09230   0.22990
O1   0.11670   0.08720   0.14170
O2   0.36170   0.24600   0.31660
O3   0.34930   0.01550   0.99780