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 = 24 C
 pyroxene
;
_database_code_amcsd 336
_chemical_formula_sum 'Si2 Fe Na O6'
_cell_length_a 9.658
_cell_length_b 8.795
_cell_length_c 5.294
_cell_angle_alpha 90.0
_cell_angle_beta 107.42
_cell_angle_gamma 90.0
_cell_volume 429.059
_exptl_crystal_density_diffrn  3.576
_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   0.2905  0.0894  0.2351
Fe1   0.0  0.8989  0.25
Na2   0.0  0.2999  0.25
O1   0.1141  0.0784  0.138
O2   0.3582  0.2558  0.3001
O3   0.3518  0.0079  0.0118
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   0.00215  0.00286  0.00498  -0.00033  -0.00068  -2e-05
Fe1   0.00353  0.00337  0.00591  0.0  -0.00045  0.0
Na2   0.01458  0.00741  0.01072  0.0  -0.00281  0.0
O1   0.0025  0.00486  0.006  -0.00057  -0.00125  0.00027
O2   0.00572  0.00333  0.00967  -0.00218  0.00038  0.0
O3   0.0046  0.00745  0.00662  0.0007  2e-05  -0.00191