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 = 24 C
 pyroxene
;
_database_code_amcsd 351
_chemical_formula_sum 'Si2 Al Na O6'
_cell_length_a 9.423
_cell_length_b 8.564
_cell_length_c 5.223
_cell_angle_alpha 90.0
_cell_angle_beta 107.56
_cell_angle_gamma 90.0
_cell_volume 401.848
_exptl_crystal_density_diffrn  3.341
_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   0.2906  0.0933  0.2277
Al1   0.0  0.9058  0.25
Na2   0.0  0.3005  0.25
O1   0.1092  0.076  0.1285
O2   0.3611  0.2633  0.2932
O3   0.3537  0.0072  0.006
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   0.00552  0.00476  0.00242  -0.00047  0.00061  -0.00017
Al1   0.00605  0.00461  0.00301  0.0  0.00086  0.0
Na2   0.01734  0.0094  0.00999  0.0  0.00029  0.0
O1   0.00523  0.00695  0.00427  -0.00012  0.00057  -0.00015
O2   0.00985  0.0062  0.00676  -0.0016  0.00175  -0.00065
O3   0.0081  0.00888  0.00358  8e-05  0.00111  -0.00115