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: Bu-10
;
_database_code_amcsd 0006350
_chemical_compound_source 'Victoria, Australia'
_chemical_formula_sum 'Ca.691 Na.159 Fe.202 Mg.812 Mn.006 Al.2 Ti.011 Cr.001 Si1.918 O6'
_cell_length_a 9.706
_cell_length_b 8.873
_cell_length_c 5.265
_cell_angle_alpha 90
_cell_angle_beta 106.46
_cell_angle_gamma 90
_cell_volume 434.846
_exptl_crystal_density_diffrn      3.338
_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   0.29860   0.25000   0.69100   0.01406
NaM2   0.00000   0.29860   0.25000   0.15900   0.01406
FeM2   0.00000   0.29860   0.25000   0.08400   0.01406
MgM2   0.00000   0.29860   0.25000   0.06000   0.01406
MnM2   0.00000   0.29860   0.25000   0.00600   0.01406
AlM1   0.00000   0.90640   0.25000   0.11800   0.00811
FeM1   0.00000   0.90640   0.25000   0.11800   0.00811
MgM1   0.00000   0.90640   0.25000   0.75200   0.00811
TiM1   0.00000   0.90640   0.25000   0.01100   0.00811
CrM1   0.00000   0.90640   0.25000   0.00100   0.00811
SiT   0.28800   0.09270   0.23170   0.95900   0.00861
AlT   0.28800   0.09270   0.23170   0.04100   0.00861
O1   0.11460   0.08560   0.14030   1.00000   0.01178
O2   0.36230   0.25190   0.31950   1.00000   0.01444
O3   0.35130   0.01730  -0.00170   1.00000   0.01153