data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Bindi L'
'Downs R T'
'Harlow G E'
'Safonov O G'
'Litvin Y A'
'Perchuk L L'
'Uchida H'
'Menchetti S'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 802
_journal_page_last 808
_publ_section_title
;
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, P = 2.45 GPa
;
_database_code_amcsd 0004149
_chemical_formula_sum '(Ca.88 K.12) Mg.83 Al.19 Si1.98 O6'
_cell_length_a 9.6313
_cell_length_b 8.8327
_cell_length_c 5.2212
_cell_angle_alpha 90
_cell_angle_beta 105.746
_cell_angle_gamma 90
_cell_volume 427.502
_exptl_crystal_density_diffrn      3.369
_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
Ca2   0.00000   0.30360   0.25000   0.88000   0.01267
K2   0.00000   0.30360   0.25000   0.12000   0.01267
Mg1   0.00000   0.90770   0.25000   0.83000   0.00785
Al1   0.00000   0.90770   0.25000   0.17000   0.00785
Si   0.28580   0.09350   0.22480   0.99000   0.00747
Al   0.28580   0.09350   0.22480   0.01000   0.00747
O1   0.11420   0.08490   0.13860   1.00000   0.01305
O2   0.35990   0.25330   0.31310   1.00000   0.01330
O3   0.35090   0.01780   0.99100   1.00000   0.01051