data_global
_chemical_name_mineral 'Aegirine'
loop_
_publ_author_name
'Cameron M'
'Sueno S'
'Prewitt C T'
'Papike J J'
_journal_name_full 'American Mineralogist'
_journal_volume 58 
_journal_year 1973
_journal_page_first 594
_journal_page_last 618
_publ_section_title
;
 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
 spodumene, and ureyite
 T = 800 C
 pyroxene
;
_database_code_amcsd 0000339
_chemical_formula_sum 'Si2 Fe Na O6'
_cell_length_a 9.711
_cell_length_b 8.876
_cell_length_c 5.312
_cell_angle_alpha 90
_cell_angle_beta 107.29
_cell_angle_gamma 90
_cell_volume 437.177
_exptl_crystal_density_diffrn      3.510
_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
Si   0.29020   0.08880   0.23270
Fe1   0.00000   0.89690   0.25000
Na2   0.00000   0.30020   0.25000
O1   0.11460   0.07710   0.13560
O2   0.35880   0.25320   0.29670
O3   0.35070   0.00700   0.00930
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.01185 0.01740 0.01329 -2.04299 0.00350 -0.63859
Fe1 0.01442 0.01824 0.01557 0.00000 0.00291 0.00000
Na2 0.05714 0.03424 0.03377 0.00000 -0.00343 0.00000
O1 0.01198 0.02558 0.01801 -1.66775 0.00264 2.02980
O2 0.02570 0.02036 0.03139 -0.00884 0.00843 -0.00253
O3 0.01829 0.03233 0.01845 -0.62540 0.00541 -0.00648