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 340
_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 90.0
_cell_angle_beta 105.63
_cell_angle_gamma 90.0
_cell_volume 438.532
_exptl_crystal_density_diffrn  3.28
_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   0.2862  0.0933  0.2293
Mg1   0.0  0.9082  0.25
Ca2   0.0  0.3015  0.25
O1   0.1156  0.0873  0.1422
O2   0.3611  0.25  0.318
O3   0.3505  0.0176  0.9953
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  0.0006  -0.00023
Mg1   0.00335  0.00301  0.00319  0.0  0.00022  0.0
Ca2   0.00803  0.00461  0.00549  0.0  -0.00079  0.0
O1   0.00272  0.00501  0.0046  0.00025  0.00026  0.00039
O2   0.00674  0.00381  0.00644  -0.00233  0.0007  -0.00021
O3   0.0041  0.00614  0.00442  0.0  0.00125  -0.00157