data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Dal Negro A'
'Manoli S'
'Secco L'
'Piccirillo E M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 1 
_journal_year 1989
_journal_page_first 105
_journal_page_last 121
_publ_section_title
;
 Megacrystic clinopyroxenes from Victoria (Australia):
 Crystal chemical comparisons of pyroxenes from high and low pressure regimes
 Sample: Me-7
;
_database_code_amcsd 0006347
_chemical_compound_source 'Victoria, Australia'
_chemical_formula_sum 'Ca.687 Na.158 Fe.233 Mg.692 Mn.006 Al.328 Ti.044 Cr.006 Si1.846 O6'
_cell_length_a 9.704
_cell_length_b 8.861
_cell_length_c 5.273
_cell_angle_alpha 90
_cell_angle_beta 106.42
_cell_angle_gamma 90
_cell_volume 434.918
_exptl_crystal_density_diffrn      3.367
_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
CaM2   0.00000   0.29930   0.25000   0.68700   0.01292
NaM2   0.00000   0.29930   0.25000   0.15800   0.01292
FeM2   0.00000   0.29930   0.25000   0.09600   0.01292
MgM2   0.00000   0.29930   0.25000   0.05300   0.01292
MnM2   0.00000   0.29930   0.25000   0.00600   0.01292
AlM1   0.00000   0.90600   0.25000   0.17400   0.00633
FeM1   0.00000   0.90600   0.25000   0.13700   0.00633
MgM1   0.00000   0.90600   0.25000   0.63900   0.00633
TiM1   0.00000   0.90600   0.25000   0.04400   0.00633
CrM1   0.00000   0.90600   0.25000   0.00600   0.00633
SiT   0.28820   0.09280   0.23080   0.92300   0.00785
AlT   0.28820   0.09280   0.23080   0.07700   0.00785
O1   0.11420   0.08560   0.13890   1.00000   0.01013
O2   0.36260   0.25270   0.31970   1.00000   0.01343
O3   0.35180   0.01780  -0.00240   1.00000   0.01064