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#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000016.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_global
_chemical_name_mineral Diopside
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  C2/c
loop_
_publ_author_name
'Downs R T'
'Thompson R M'
_journal_name_full  "Crystallography Open Database, 7 March 2003"
_publ_section_title
;
 The crystal structure of diopside to 10 GPa
 Sample at P = 10.16 GPa
;
_cell_length_a   9.51640
_cell_length_b   8.64490
_cell_length_c   5.12460
_cell_angle_alpha  90.00000
_cell_angle_beta 105.03300
_cell_angle_gamma  90.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
MgM1   0.00000   0.91075   0.25000   0.00557
CaM2   0.00000   0.30587   0.25000   0.00849
Si   0.28610   0.09554   0.22718   0.00595
O1   0.11538   0.08832   0.14178   0.00722
O2   0.35921   0.25714   0.32226   0.00861
O3   0.35409   0.02340   0.98725   0.00849