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 = .46 GPa
;
_database_code_amcsd 0004148
_chemical_formula_sum '(Ca.88 K.12) Mg.83 Al.19 Si1.98 O6'
_cell_length_a 9.6828
_cell_length_b 8.8880
_cell_length_c 5.2482
_cell_angle_alpha 90
_cell_angle_beta 105.951
_cell_angle_gamma 90
_cell_volume 434.273
_exptl_crystal_density_diffrn      3.317
_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   0.30250   0.25000   0.88000   0.01330
K2   0.00000   0.30250   0.25000   0.12000   0.01330
Mg1   0.00000   0.90700   0.25000   0.83000   0.00836
Al1   0.00000   0.90700   0.25000   0.17000   0.00836
Si   0.28610   0.09310   0.22540   0.99000   0.00760
Al   0.28610   0.09310   0.22540   0.01000   0.00760
O1   0.11460   0.08450   0.13750   1.00000   0.01292
O2   0.36070   0.25230   0.31240   1.00000   0.01368
O3   0.35000   0.01670   0.99320   1.00000   0.01153