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 = 800 C
 pyroxene
;
_database_code_amcsd 0000354
_chemical_formula_sum 'Si2 Al Na O6'
_cell_length_a 9.483
_cell_length_b 8.63
_cell_length_c 5.249
_cell_angle_alpha 90
_cell_angle_beta 107.59
_cell_angle_gamma 90
_cell_volume 409.484
_exptl_crystal_density_diffrn      3.279
_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   0.29020   0.09260   0.22580
Al1   0.00000   0.90390   0.25000
Na2   0.00000   0.30080   0.25000
O1   0.10980   0.07510   0.12740
O2   0.36140   0.26110   0.28940
O3   0.35200   0.00620   0.00480
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 0.01329 0.01317 0.00875 -0.00130 0.00252 -0.00085
Al1 0.01639 0.01441 0.01012 0.00000 0.00190 0.00000
Na2 0.05373 0.02724 0.02499 0.00000 -0.00362 0.00000
O1 0.01412 0.01909 0.01239 -0.00063 0.00202 0.00131
O2 0.02658 0.01517 0.02116 -0.00605 0.00493 -0.00107
O3 0.02028 0.02494 0.01261 0.00138 0.00522 -0.00547