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: Fr-4
;
_database_code_amcsd 0006344
_chemical_compound_source 'Victoria, Australia'
_chemical_formula_sum 'Ca.631 Na.163 Fe.295 Mg.662 Mn.004 Al.426 Ti.042 Si1.777 O6'
_cell_length_a 9.693
_cell_length_b 8.839
_cell_length_c 5.279
_cell_angle_alpha 90
_cell_angle_beta 106.68
_cell_angle_gamma 90
_cell_volume 433.255
_exptl_crystal_density_diffrn      3.392
_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   0.29760   0.25000   0.63100   0.01406
NaM2   0.00000   0.29760   0.25000   0.16300   0.01406
FeM2   0.00000   0.29760   0.25000   0.14700   0.01406
MgM2   0.00000   0.29760   0.25000   0.05500   0.01406
MnM2   0.00000   0.29760   0.25000   0.00400   0.01406
AlM1   0.00000   0.90560   0.25000   0.20300   0.00557
FeM1   0.00000   0.90560   0.25000   0.14800   0.00557
MgM1   0.00000   0.90560   0.25000   0.60700   0.00557
TiM1   0.00000   0.90560   0.25000   0.04200   0.00557
SiT   0.28900   0.09260   0.23220   0.88850   0.00773
AlT   0.28900   0.09260   0.23220   0.11150   0.00773
O1   0.11400   0.08520   0.13830   1.00000   0.01051
O2   0.36350   0.25380   0.32210   1.00000   0.01418
O3   0.35230   0.01780  -0.00110   1.00000   0.01140