#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009601.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_9009601
_chemical_name 'Diopside'
loop_
_publ_author_name
'Mottana A'
'Rossi G'
'Kracher A'
'Kurat G'
_journal_name_full "Tschermaks Mineralogische und Petrographische Mitteilungen"
_journal_volume 26
_journal_year 1979
_journal_page_first 187
_journal_page_last 201
_publ_section_title
;
 Violan revisited: Mn-bearing Omphacite and Diopside
 Locality: manganese deposit of Praborna, St Marcel, Aosta Valley, Italy
;
_chemical_formula_sum '(Ca.94 Na.06) (Mg.964 Fe.036) Si2 O6'
_cell_length_a 9.726
_cell_length_b 8.907
_cell_length_c 5.256
_cell_angle_alpha 90
_cell_angle_beta 106.1
_cell_angle_gamma 90
_cell_volume 437.466
_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
Ca2   0.00000   0.30167   0.25000   0.94000   0.00811
Na2   0.00000   0.30167   0.25000   0.06000   0.00811
Mg1   0.00000   0.90741   0.25000   0.96400   0.00481
Fe1   0.00000   0.90741   0.25000   0.03600   0.00481
Si   0.28653   0.09317   0.22916   1.00000   0.00380
O1   0.11503   0.08612   0.14033   1.00000   0.00697
O2   0.36063   0.25081   0.31585   1.00000   0.00798
O3   0.35074   0.01689  -0.00419   1.00000   0.00671