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 = 850 C
 pyroxene
;
_database_code_amcsd 343
_chemical_formula_sum 'Si2 Mg Ca O6'
_cell_length_a 9.806
_cell_length_b 9.05
_cell_length_c 5.28
_cell_angle_alpha 90.0
_cell_angle_beta 106.0
_cell_angle_gamma 90.0
_cell_volume 450.418
_exptl_crystal_density_diffrn  3.193
_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  0.2293
Mg1   0.0  0.9066  0.25
Ca2   0.0  0.3003  0.25
O1   0.1161  0.0863  0.1418
O2   0.3607  0.2468  0.3144
O3   0.3492  0.0151  0.9976
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   0.01409  0.01631  0.01404  -0.0013  0.00364  -0.00126
Mg1   0.02125  0.02162  0.0163  0.0  0.00441  0.0
Ca2   0.03907  0.02162  0.02303  0.0  -0.00131  0.0
O1   0.01463  0.02668  0.021  -4e-05  0.00405  0.001
O2   0.0352  0.02124  0.02696  -0.00972  0.00623  -0.00186
O3   0.02102  0.03091  0.01951  0.00017  0.00664  -0.00817