data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Secco L'
'Martignago F'
'Dal Negro A'
'Reznitskii L Z'
'Sklyarov E V'
_journal_name_full 'American Mineralogist'
_journal_volume 87 
_journal_year 2002
_journal_page_first 709
_journal_page_last 714
_publ_section_title
;
 Crystal chemistry of Cr-V-rich clinopyroxenes
 Sample 6
;
_database_code_amcsd 0002811
_chemical_formula_sum 'Si1.99 Al.029 Cr.223 V.257 Mg.488 Fe.011 Ti.001 Mn.001 (Ca.509 Na.491) O6'
_cell_length_a 9.6774
_cell_length_b 8.8479
_cell_length_c 5.2662
_cell_angle_alpha 90
_cell_angle_beta 106.446
_cell_angle_gamma 90
_cell_volume 432.468
_exptl_crystal_density_diffrn      3.404
_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
SiT   0.28864   0.09214   0.23137   0.99500   0.00432
AlT   0.28864   0.09214   0.23137   0.00500   0.00432
CrM1   0.00000   0.90572   0.25000   0.22300   0.00523
VM1   0.00000   0.90572   0.25000   0.25700   0.00523
MgM1   0.00000   0.90572   0.25000   0.48800   0.00523
AlM1   0.00000   0.90572   0.25000   0.01900   0.00523
FeM1   0.00000   0.90572   0.25000   0.01100   0.00523
TiM1   0.00000   0.90572   0.25000   0.00100   0.00523
MnM1   0.00000   0.90572   0.25000   0.00100   0.00523
CaM2   0.00000   0.30190   0.25000   0.50900   0.00920
NaM2   0.00000   0.30190   0.25000   0.49100   0.00920
O1   0.11470   0.08259   0.14011   1.00000   0.00691
O2   0.36050   0.25325   0.31172   1.00000   0.00847
O3   0.35159   0.01436   0.00085   1.00000   0.00714