data_global
_chemical_name_mineral 'Jadeite'
loop_
_publ_author_name
'McCarthy A C'
'Downs R T'
'Thompson R M'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 198
_journal_page_last 209
_publ_section_title
;
 Compressibility trends of the clinopyroxenes, and in-situ high-pressure
 single-crystal X-ray diffraction study of jadeite
 Sample: P = 8.54 GPa
;
_database_code_amcsd 0004512
_chemical_compound_source 'Clear Creek, San Benito County, California'
_chemical_formula_sum 'Na Al Si2 O6'
_cell_length_a 9.2305
_cell_length_b 8.3999
_cell_length_c 5.1178
_cell_angle_alpha 90
_cell_angle_beta 106.854
_cell_angle_gamma 90
_cell_volume 379.766
_exptl_crystal_density_diffrn      3.535
_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
_atom_site_U_iso_or_equiv
NaM2   0.00000   0.30430   0.25000   0.01165
AlM1   0.00000   0.90800   0.25000   0.00697
Si   0.29150   0.09560   0.22970   0.00646
O1   0.10820   0.08010   0.12950   0.00735
O2   0.35990   0.26720   0.30320   0.00988
O3   0.35700   0.01420   0.00050   0.00798