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 339
_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 90.0
_cell_angle_beta 107.29
_cell_angle_gamma 90.0
_cell_volume 437.177
_exptl_crystal_density_diffrn  3.51
_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   0.2902  0.0888  0.2327
Fe1   0.0  0.8969  0.25
Na2   0.0  0.3002  0.25
O1   0.1146  0.0771  0.1356
O2   0.3588  0.2532  0.2967
O3   0.3507  0.007  0.0093
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  0.0174  0.01329  -2.04299  0.0035  -0.63859
Fe1   0.01442  0.01824  0.01557  0.0  0.00291  0.0
Na2   0.05714  0.03424  0.03377  0.0  -0.00343  0.0
O1   0.01198  0.02558  0.01801  -1.66775  0.00264  2.0298
O2   0.0257  0.02036  0.03139  -0.00884  0.00843  -0.00253
O3   0.01829  0.03233  0.01845  -0.6254  0.00541  -0.00648