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 37, Di71Jd20, diopside - jadeite join
;
_database_code_amcsd 0001364
_chemical_formula_sum 'Mg.83 Al.19 Fe.08 Ti.01 Ca.71 Na.2 Si1.98 O6'
_cell_length_a 9.678
_cell_length_b 8.853
_cell_length_c 5.255
_cell_angle_alpha 90
_cell_angle_beta 106.52
_cell_angle_gamma 90
_cell_volume 431.659
_exptl_crystal_density_diffrn      3.307
_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   0.90600   0.25000   0.74000   0.00735
Al1   0.00000   0.90600   0.25000   0.17000   0.00735
Fe1   0.00000   0.90600   0.25000   0.08000   0.00735
Ti1   0.00000   0.90600   0.25000   0.01000   0.00735
Ca2   0.00000   0.30030   0.25000   0.71000   0.01077
Na2   0.00000   0.30030   0.25000   0.20000   0.01077
Mg2   0.00000   0.30030   0.25000   0.09000   0.00735
Si   0.28790   0.09270   0.23120   0.99000   0.00633
Al   0.28790   0.09270   0.23120   0.01000   0.00633
O1   0.11460   0.08480   0.13880   1.00000   0.01013
O2   0.36160   0.25230   0.31750   1.00000   0.01241
O3   0.35150   0.01630  -0.00070   1.00000   0.00937