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 = 24 C
 pyroxene
;
_database_code_amcsd 0000340
_chemical_formula_sum 'Si2 Mg Ca O6'
_cell_length_a 9.745
_cell_length_b 8.899
_cell_length_c 5.251
_cell_angle_alpha 90
_cell_angle_beta 105.63
_cell_angle_gamma 90
_cell_volume 438.532
_exptl_crystal_density_diffrn      3.280
_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   0.28620   0.09330   0.22930
Mg1   0.00000   0.90820   0.25000
Ca2   0.00000   0.30150   0.25000
O1   0.11560   0.08730   0.14220
O2   0.36110   0.25000   0.31800
O3   0.35050   0.01760   0.99530
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 0.00245 0.00285 0.00332 -0.00013 0.00060 -0.00023
Mg1 0.00335 0.00301 0.00319 0.00000 0.00022 0.00000
Ca2 0.00803 0.00461 0.00549 0.00000 -0.00079 0.00000
O1 0.00272 0.00501 0.00460 0.00025 0.00026 0.00039
O2 0.00674 0.00381 0.00644 -0.00233 0.00070 -0.00021
O3 0.00410 0.00614 0.00442 0.00000 0.00125 -0.00157