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-12
;
_database_code_amcsd 0006352
_chemical_compound_source 'Victoria, Australia'
_chemical_formula_sum 'Ca.691 Na.128 Fe.244 Mg.742 Mn.008 Al.332 Ti.036 Cr.003 Si1.816 O6'
_cell_length_a 9.709
_cell_length_b 8.864
_cell_length_c 5.274
_cell_angle_alpha 90
_cell_angle_beta 106.56
_cell_angle_gamma 90
_cell_volume 435.057
_exptl_crystal_density_diffrn      3.368
_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   0.29780   0.25000   0.69100   0.01469
NaM2   0.00000   0.29780   0.25000   0.12800   0.01469
FeM2   0.00000   0.29780   0.25000   0.09600   0.01469
MgM2   0.00000   0.29780   0.25000   0.07700   0.01469
MnM2   0.00000   0.29780   0.25000   0.00800   0.01469
AlM1   0.00000   0.90630   0.25000   0.14800   0.00861
FeM1   0.00000   0.90630   0.25000   0.14800   0.00861
MgM1   0.00000   0.90630   0.25000   0.66500   0.00861
TiM1   0.00000   0.90630   0.25000   0.03600   0.00861
CrM1   0.00000   0.90630   0.25000   0.00300   0.00861
SiT   0.28880   0.09270   0.23200   0.90800   0.00925
AlT   0.28880   0.09270   0.23200   0.09200   0.00925
O1   0.11430   0.08600   0.13930   1.00000   0.01254
O2   0.36330   0.25260   0.32180   1.00000   0.01596
O3   0.35190   0.01810  -0.00170   1.00000   0.01279