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 0000351
_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
_cell_angle_beta 107.56
_cell_angle_gamma 90
_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   0.29060   0.09330   0.22770
Al1   0.00000   0.90580   0.25000
Na2   0.00000   0.30050   0.25000
O1   0.10920   0.07600   0.12850
O2   0.36110   0.26330   0.29320
O3   0.35370   0.00720   0.00600
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 0.00000 0.00086 0.00000
Na2 0.01734 0.00940 0.00999 0.00000 0.00029 0.00000
O1 0.00523 0.00695 0.00427 -0.00012 0.00057 -0.00015
O2 0.00985 0.00620 0.00676 -0.00160 0.00175 -0.00065
O3 0.00810 0.00888 0.00358 0.00008 0.00111 -0.00115