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 354
_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 90.0
_cell_angle_beta 107.59
_cell_angle_gamma 90.0
_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   0.2902  0.0926  0.2258
Al1   0.0  0.9039  0.25
Na2   0.0  0.3008  0.25
O1   0.1098  0.0751  0.1274
O2   0.3614  0.2611  0.2894
O3   0.352  0.0062  0.0048
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  -0.0013  0.00252  -0.00085
Al1   0.01639  0.01441  0.01012  0.0  0.0019  0.0
Na2   0.05373  0.02724  0.02499  0.0  -0.00362  0.0
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