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 0000343
_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
_cell_angle_beta 106
_cell_angle_gamma 90
_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   0.28610   0.09250   0.22930
Mg1   0.00000   0.90660   0.25000
Ca2   0.00000   0.30030   0.25000
O1   0.11610   0.08630   0.14180
O2   0.36070   0.24680   0.31440
O3   0.34920   0.01510   0.99760
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 -0.00130 0.00364 -0.00126
Mg1 0.02125 0.02162 0.01630 0.00000 0.00441 0.00000
Ca2 0.03907 0.02162 0.02303 0.00000 -0.00131 0.00000
O1 0.01463 0.02668 0.02100 -0.00004 0.00405 0.00100
O2 0.03520 0.02124 0.02696 -0.00972 0.00623 -0.00186
O3 0.02102 0.03091 0.01951 0.00017 0.00664 -0.00817