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 = 1000 C
 pyroxene
;
_database_code_amcsd 0000344
_chemical_formula_sum 'Si2 Mg Ca O6'
_cell_length_a 9.822
_cell_length_b 9.081
_cell_length_c 5.285
_cell_angle_alpha 90
_cell_angle_beta 105.98
_cell_angle_gamma 90
_cell_volume 453.173
_exptl_crystal_density_diffrn      3.174
_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   0.28590   0.09240   0.22920
Mg1   0.00000   0.90630   0.25000
Ca2   0.00000   0.30010   0.25000
O1   0.11640   0.08640   0.14230
O2   0.36070   0.24640   0.31430
O3   0.34870   0.01460  -0.00240
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 0.01522 0.01938 0.01764 -0.00130 0.00447 -0.00091
Mg1 0.02489 0.02561 0.02000 0.00000 0.00462 0.00000
Ca2 0.04643 0.02624 0.02731 0.00000 -0.00253 0.00000
O1 0.01748 0.03092 0.02469 -0.00030 0.00428 0.00047
O2 0.03875 0.02561 0.03297 -0.01047 0.00676 -0.00402
O3 0.02380 0.03497 0.02290 0.00126 0.00790 -0.00879