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-14
;
_database_code_amcsd 0006354
_chemical_compound_source 'Victoria, Australia'
_chemical_formula_sum 'Ca.661 Na.153 Fe.206 Mg.771 Mn.001 Al.323 Ti.029 Cr.005 Si1.851 O6'
_cell_length_a 9.700
_cell_length_b 8.858
_cell_length_c 5.272
_cell_angle_alpha 90
_cell_angle_beta 106.57
_cell_angle_gamma 90
_cell_volume 434.172
_exptl_crystal_density_diffrn      3.345
_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   0.29820   0.25000   0.66100   0.01444
NaM2   0.00000   0.29820   0.25000   0.15300   0.01444
FeM2   0.00000   0.29820   0.25000   0.09200   0.01444
MgM2   0.00000   0.29820   0.25000   0.09300   0.01444
MnM2   0.00000   0.29820   0.25000   0.00100   0.01444
AlM1   0.00000   0.90640   0.25000   0.17400   0.00963
FeM1   0.00000   0.90640   0.25000   0.11400   0.00963
MgM1   0.00000   0.90640   0.25000   0.67800   0.00963
TiM1   0.00000   0.90640   0.25000   0.02900   0.00963
CrM1   0.00000   0.90640   0.25000   0.00500   0.00963
SiT   0.28860   0.09270   0.23200   0.92550   0.00950
AlT   0.28860   0.09270   0.23200   0.07450   0.00950
O1   0.11450   0.08560   0.13890   1.00000   0.01216
O2   0.36310   0.25240   0.32190   1.00000   0.01621
O3   0.35190   0.01790  -0.00140   1.00000   0.01305