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 344
_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 90.0
_cell_angle_beta 105.98
_cell_angle_gamma 90.0
_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   0.2859  0.0924  0.2292
Mg1   0.0  0.9063  0.25
Ca2   0.0  0.3001  0.25
O1   0.1164  0.0864  0.1423
O2   0.3607  0.2464  0.3143
O3   0.3487  0.0146  -0.0024
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  -0.0013  0.00447  -0.00091
Mg1   0.02489  0.02561  0.02  0.0  0.00462  0.0
Ca2   0.04643  0.02624  0.02731  0.0  -0.00253  0.0
O1   0.01748  0.03092  0.02469  -0.0003  0.00428  0.00047
O2   0.03875  0.02561  0.03297  -0.01047  0.00676  -0.00402
O3   0.0238  0.03497  0.0229  0.00126  0.0079  -0.00879