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 0000352
_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
_cell_angle_beta 107.57
_cell_angle_gamma 90
_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   0.29040   0.09310   0.22700
Al1   0.00000   0.90500   0.25000
Na2   0.00000   0.30060   0.25000
O1   0.10960   0.07560   0.12790
O2   0.36120   0.26220   0.29180
O3   0.35300   0.00690   0.00570
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 -0.00050
Al1 0.00987 0.00920 0.00667 0.00000 0.00125 0.00000
Na2 0.03129 0.01691 0.01860 0.00000 -0.00235 0.00000
O1 0.00876 0.01186 0.00859 -0.00082 0.00132 0.00067
O2 0.01620 0.00988 0.01342 -0.00447 0.00225 -0.00124
O3 0.01254 0.01654 0.00865 -0.00031 0.00271 -0.00460