data_global
_chemical_name_mineral 'Jadeite'
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 352
_chemical_formula_sum 'Si2 Al Na O6'
_cell_length_a 9.45
_cell_length_b 8.594
_cell_length_c 5.233
_cell_angle_alpha 90.0
_cell_angle_beta 107.57
_cell_angle_gamma 90.0
_cell_volume 405.163
_exptl_crystal_density_diffrn  3.314
_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  0.0931  0.227
Al1   0.0  0.905  0.25
Na2   0.0  0.3006  0.25
O1   0.1096  0.0756  0.1279
O2   0.3612  0.2622  0.2918
O3   0.353  0.0069  0.0057
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   0.00868  0.00838  0.00632  -0.00114  0.00166  -0.0005
Al1   0.00987  0.0092  0.00667  0.0  0.00125  0.0
Na2   0.03129  0.01691  0.0186  0.0  -0.00235  0.0
O1   0.00876  0.01186  0.00859  -0.00082  0.00132  0.00067
O2   0.0162  0.00988  0.01342  -0.00447  0.00225  -0.00124
O3   0.01254  0.01654  0.00865  -0.00031  0.00271  -0.0046