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 0000341
_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
_cell_angle_beta 105.94
_cell_angle_gamma 90
_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   0.28620   0.09290   0.22940
Mg1   0.00000   0.90720   0.25000
Ca2   0.00000   0.30080   0.25000
O1   0.11600   0.08680   0.14240
O2   0.36110   0.24860   0.31630
O3   0.35010   0.01650   0.99610
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 -0.00060 0.00159 -0.00051
Mg1 0.01276 0.01103 0.01143 0.00000 0.00157 0.00000
Ca2 0.02198 0.01189 0.01597 0.00000 -0.00128 0.00000
O1 0.00936 0.01450 0.01509 0.00013 0.00166 0.00097
O2 0.02082 0.01233 0.01801 -0.00500 0.00328 -0.00196
O3 0.01276 0.01679 0.01707 -0.00034 0.00444 -0.00415