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 = 700 C
 pyroxene
;
_database_code_amcsd 342
_chemical_formula_sum 'Si2 Mg Ca O6'
_cell_length_a 9.799
_cell_length_b 9.029
_cell_length_c 5.274
_cell_angle_alpha 90.0
_cell_angle_beta 106.0
_cell_angle_gamma 90.0
_cell_volume 448.542
_exptl_crystal_density_diffrn  3.207
_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   0.2861  0.0925  0.2294
Mg1   0.0  0.9069  0.25
Ca2   0.0  0.3005  0.25
O1   0.1164  0.0864  0.1423
O2   0.3604  0.2477  0.3149
O3   0.3495  0.0157  0.9971
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   0.01151  0.01441  0.0171  -0.00138  0.00419  -0.00074
Mg1   0.0165  0.01875  0.01772  0.0  0.00404  0.0
Ca2   0.03263  0.01933  0.02388  0.0  -0.00082  0.0
O1   0.01286  0.02309  0.02215  -0.00013  0.00513  0.00019
O2   0.02841  0.01867  0.02668  -0.00788  0.00622  -0.00206
O3   0.01807  0.02647  0.0218  -0.00069  0.00772  -0.00675