data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Oberti R'
'Caporuscio F A'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 1141
_journal_page_last 1152
_publ_section_title
;
 Crystal chemistry of clinopyroxenes from mantle eclogites: A study of the key
 role of the M2 site population by means of crystal-structure refinement
 sample SBB 3H, Di64Jd26, diopside - jadeite join
;
_database_code_amcsd 0001366
_chemical_formula_sum 'Mg.65 Al.28 Fe.13 Ti.01 Ca.65 Na.26 Si2 O6'
_cell_length_a 9.654
_cell_length_b 8.831
_cell_length_c 5.255
_cell_angle_alpha 90
_cell_angle_beta 106.52
_cell_angle_gamma 90
_cell_volume 429.519
_exptl_crystal_density_diffrn      3.329
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mg1   0.00000   0.90590   0.25000   0.62000   0.00747
Al1   0.00000   0.90590   0.25000   0.28000   0.00747
Fe1   0.00000   0.90590   0.25000   0.09000   0.00747
Ti1   0.00000   0.90590   0.25000   0.01000   0.00747
Ca2   0.00000   0.30050   0.25000   0.65000   0.01127
Na2   0.00000   0.30050   0.25000   0.26000   0.01127
Mg2   0.00000   0.30050   0.25000   0.03000   0.00950
Fe2   0.00000   0.30050   0.25000   0.04000   0.00950
Si   0.28760   0.09280   0.22980   1.00000   0.00595
O1   0.11390   0.08350   0.13810   1.00000   0.01077
O2   0.36080   0.25350   0.31340   1.00000   0.01165
O3   0.35150   0.01540  -0.00090   1.00000   0.00887