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 = 600 C
 pyroxene
;
_database_code_amcsd 338
_chemical_formula_sum 'Si2 Fe Na O6'
_cell_length_a 9.699
_cell_length_b 8.855
_cell_length_c 5.307
_cell_angle_alpha 90.0
_cell_angle_beta 107.32
_cell_angle_gamma 90.0
_cell_volume 435.123
_exptl_crystal_density_diffrn  3.526
_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  0.0889  0.2332
Fe1   0.0  0.8974  0.25
Na2   0.0  0.3001  0.25
O1   0.1142  0.0775  0.1364
O2   0.3587  0.2537  0.2975
O3   0.3511  0.0074  0.0098
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   0.01034  0.01446  0.00988  -0.00129  0.0029  -0.00091
Fe1   0.01207  0.0149  0.01199  0.0  0.00295  0.0
Na2   0.0466  0.03027  0.02664  0.0  -0.00482  0.0
O1   0.01047  0.02149  0.01328  -0.00087  0.00238  0.00152
O2   0.0225  0.01728  0.02517  -0.00735  0.00711  -0.00127
O3   0.01459  0.02773  0.01398  0.0005  0.00335  -0.00545