data_global
_chemical_name_mineral 'Augite'
loop_
_publ_author_name
'Clark J'
'Appleman D'
'Papike J'
_journal_name_full 'Mineralogical Society of America Special Paper'
_journal_volume 2
_journal_year 1969
_journal_page_first 31
_journal_page_last 50
_publ_section_title
;
 Crystal-chemical characterization of clinopyroxenes based on eight new
 structure refinements
 _cod_database_code 1000035
;
_database_code_amcsd 1
_chemical_compound_source 'Kakanui, New Zealand'
_chemical_formula_sum 'Na.09 Ca.616 Mg.902 Fe.21 Al.342 Ti.02 Si1.82 O6'
_cell_length_a 9.699
_cell_length_b 8.844
_cell_length_c 5.272
_cell_angle_alpha 90.0
_cell_angle_beta 106.97
_cell_angle_gamma 90.0
_cell_volume 432.531
_exptl_crystal_density_diffrn  3.343
_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
Na1   0.0  0.2952  0.25  0.09
Ca1   0.0  0.2952  0.25  0.616
Mg1   0.0  0.9063  0.25  0.715
Mg2   0.0  0.2952  0.25  0.187
Fe1   0.0  0.2952  0.25  0.107
Fe2   0.0  0.9063  0.25  0.103
Al1   0.0  0.9063  0.25  0.182
Al2   0.2896  0.0924  0.2353  0.08
Ti1   0.2896  0.0924  0.2353  0.01
Si1   0.2896  0.0924  0.2353  0.91
O1   0.115  0.0865  0.1402  1.0
O2   0.3647  0.253  0.326  1.0
O3   0.3256  0.0185  0.0013  1.0