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 = 400 C
 pyroxene
;
_database_code_amcsd 337
_chemical_formula_sum 'Si2 Fe Na O6'
_cell_length_a 9.677
_cell_length_b 8.829
_cell_length_c 5.298
_cell_angle_alpha 90.0
_cell_angle_beta 107.33
_cell_angle_gamma 90.0
_cell_volume 432.104
_exptl_crystal_density_diffrn  3.551
_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   0.2904  0.0891  0.2338
Fe1   0.0  0.8979  0.25
Na2   0.0  0.3  0.25
O1   0.1141  0.0778  0.1368
O2   0.3586  0.2545  0.2989
O3   0.3514  0.0076  0.0112
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   0.00705  0.01114  0.00815  -0.00103  0.00206  -0.00025
Fe1   0.00839  0.01125  0.00952  0.0  0.00187  0.0
Na2   0.03459  0.02279  0.02116  0.0  -0.00218  0.0
O1   0.00731  0.01635  0.0107  -0.00157  0.00154  0.00163
O2   0.01591  0.0143  0.0202  -0.00545  0.00556  -0.00118
O3   0.01003  0.02085  0.01236  -0.00079  0.00286  -0.00452