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 0000342
_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
_cell_angle_beta 106
_cell_angle_gamma 90
_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   0.28610   0.09250   0.22940
Mg1   0.00000   0.90690   0.25000
Ca2   0.00000   0.30050   0.25000
O1   0.11640   0.08640   0.14230
O2   0.36040   0.24770   0.31490
O3   0.34950   0.01570   0.99710
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 0.01710 -0.00138 0.00419 -0.00074
Mg1 0.01650 0.01875 0.01772 0.00000 0.00404 0.00000
Ca2 0.03263 0.01933 0.02388 0.00000 -0.00082 0.00000
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 0.02180 -0.00069 0.00772 -0.00675