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 = 600 C
 pyroxene
;
_database_code_amcsd 0000353
_chemical_formula_sum 'Si2 Al Na O6'
_cell_length_a 9.469
_cell_length_b 8.614
_cell_length_c 5.24
_cell_angle_alpha 90
_cell_angle_beta 107.57
_cell_angle_gamma 90
_cell_volume 407.467
_exptl_crystal_density_diffrn      3.295
_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   0.29030   0.09280   0.22640
Al1   0.00000   0.90430   0.25000
Na2   0.00000   0.30070   0.25000
O1   0.10970   0.07560   0.12780
O2   0.36130   0.26150   0.29030
O3   0.35270   0.00650   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 0.01028 0.01083 0.00839 -0.00110 0.00210 -0.00096
Al1 0.01189 0.01165 0.00942 0.00000 0.00151 0.00000
Na2 0.04066 0.02252 0.02182 0.00000 -0.00404 0.00000
O1 0.00912 0.01519 0.01264 -0.00039 0.00148 0.00078
O2 0.02110 0.01338 0.01899 -0.00587 0.00487 -0.00100
O3 0.01532 0.02139 0.01168 0.00024 0.00331 -0.00578