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 = 2.32 GPa
;
_database_code_amcsd 0004497
_chemical_compound_source 'DeKalb, New York'
_chemical_formula_sum 'Mg Ca Si2 O6'
_cell_length_a 9.6808
_cell_length_b 8.8488
_cell_length_c 5.2180
_cell_angle_alpha 90
_cell_angle_beta 105.606
_cell_angle_gamma 90
_cell_volume 430.513
_exptl_crystal_density_diffrn      3.341
_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   0.90867   0.25000   0.00469
Ca   0.00000   0.30270   0.25000   0.00912
Si   0.28626   0.09370   0.22834   0.00545
O1   0.11547   0.08705   0.14258   0.00785
O2   0.36079   0.25183   0.31872   0.00899
O3   0.35156   0.01943   0.99227   0.00760