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 0000001
_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
_cell_angle_beta 106.97
_cell_angle_gamma 90
_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   0.00000   0.29520   0.25000   0.09000
Ca1   0.00000   0.29520   0.25000   0.61600
Mg1   0.00000   0.90630   0.25000   0.71500
Mg2   0.00000   0.29520   0.25000   0.18700
Fe1   0.00000   0.29520   0.25000   0.10700
Fe2   0.00000   0.90630   0.25000   0.10300
Al1   0.00000   0.90630   0.25000   0.18200
Al2   0.28960   0.09240   0.23530   0.08000
Ti1   0.28960   0.09240   0.23530   0.01000
Si1   0.28960   0.09240   0.23530   0.91000
O1   0.11500   0.08650   0.14020   1.00000
O2   0.36470   0.25300   0.32600   1.00000
O3   0.32560   0.01850   0.00130   1.00000