data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Cameron M'
'Sueno S'
'Prewitt C T'
'Papike J J'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 594
_journal_page_last 618
_publ_section_title
;
 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
 spodumene, and ureyite
 T = 400 C
 pyroxene
;
_database_code_amcsd 341
_chemical_formula_sum 'Si2 Mg Ca O6'
_cell_length_a 9.776
_cell_length_b 8.979
_cell_length_c 5.267
_cell_angle_alpha 90.0
_cell_angle_beta 105.94
_cell_angle_gamma 90.0
_cell_volume 444.554
_exptl_crystal_density_diffrn  3.236
_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
Si   0.2862  0.0929  0.2294
Mg1   0.0  0.9072  0.25
Ca2   0.0  0.3008  0.25
O1   0.116  0.0868  0.1424
O2   0.3611  0.2486  0.3163
O3   0.3501  0.0165  0.9961
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si   0.00868  0.00894  0.01184  -0.0006  0.00159  -0.00051
Mg1   0.01276  0.01103  0.01143  0.0  0.00157  0.0
Ca2   0.02198  0.01189  0.01597  0.0  -0.00128  0.0
O1   0.00936  0.0145  0.01509  0.00013  0.00166  0.00097
O2   0.02082  0.01233  0.01801  -0.005  0.00328  -0.00196
O3   0.01276  0.01679  0.01707  -0.00034  0.00444  -0.00415