data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Thompson R M'
'Downs R T'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 177
_journal_page_last 186
_publ_section_title
;
 The crystal structure of diopside at pressure to 10 GPa
 Sample: P = 9.50 GPa
;
_database_code_amcsd 0004503
_chemical_compound_source 'DeKalb, New York'
_chemical_formula_sum 'Mg Ca Si2 O6'
_cell_length_a 9.5270
_cell_length_b 8.6587
_cell_length_c 5.1306
_cell_angle_alpha 90
_cell_angle_beta 105.067
_cell_angle_gamma 90
_cell_volume 408.681
_exptl_crystal_density_diffrn      3.520
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_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_U_iso_or_equiv
Mg   0.00000   0.91060   0.25000   0.00494
Ca   0.00000   0.30588   0.25000   0.00887
Si   0.28614   0.09547   0.22733   0.00633
O1   0.11520   0.08809   0.14222   0.00823
O2   0.35914   0.25645   0.32137   0.00861
O3   0.35342   0.02336   0.98756   0.00823