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-13
;
_database_code_amcsd 0006353
_chemical_compound_source 'Victoria, Australia'
_chemical_formula_sum 'Ca.661 Na.132 Fe.253 Mg.731 Mn.007 Al.342 Ti.045 Cr.003 Si1.826 O6'
_cell_length_a 9.706
_cell_length_b 8.858
_cell_length_c 5.276
_cell_angle_alpha 90
_cell_angle_beta 106.58
_cell_angle_gamma 90
_cell_volume 434.748
_exptl_crystal_density_diffrn      3.371
_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   0.66100   0.01596
NaM2   0.00000   0.29780   0.25000   0.13200   0.01596
FeM2   0.00000   0.29780   0.25000   0.12500   0.01596
MgM2   0.00000   0.29780   0.25000   0.07500   0.01596
MnM2   0.00000   0.29780   0.25000   0.00700   0.01596
AlM1   0.00000   0.90620   0.25000   0.16800   0.00874
FeM1   0.00000   0.90620   0.25000   0.12800   0.00874
MgM1   0.00000   0.90620   0.25000   0.65600   0.00874
TiM1   0.00000   0.90620   0.25000   0.04500   0.00874
CrM1   0.00000   0.90620   0.25000   0.00300   0.00874
SiT   0.28880   0.09270   0.23210   0.91300   0.00937
AlT   0.28880   0.09270   0.23210   0.08700   0.00937
O1   0.11440   0.08590   0.13890   1.00000   0.01254
O2   0.36310   0.25290   0.32200   1.00000   0.01634
O3   0.35200   0.01810  -0.00150   1.00000   0.01381