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 0000338
_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
_cell_angle_beta 107.32
_cell_angle_gamma 90
_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   0.29020   0.08890   0.23320
Fe1   0.00000   0.89740   0.25000
Na2   0.00000   0.30010   0.25000
O1   0.11420   0.07750   0.13640
O2   0.35870   0.25370   0.29750
O3   0.35110   0.00740   0.00980
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 0.00290 -0.00091
Fe1 0.01207 0.01490 0.01199 0.00000 0.00295 0.00000
Na2 0.04660 0.03027 0.02664 0.00000 -0.00482 0.00000
O1 0.01047 0.02149 0.01328 -0.00087 0.00238 0.00152
O2 0.02250 0.01728 0.02517 -0.00735 0.00711 -0.00127
O3 0.01459 0.02773 0.01398 0.00050 0.00335 -0.00545