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 = 7.17 GPa
;
_database_code_amcsd 0004510
_chemical_compound_source 'Clear Creek, San Benito County, California'
_chemical_formula_sum 'Na Al Si2 O6'
_cell_length_a 9.2593
_cell_length_b 8.4268
_cell_length_c 5.1354
_cell_angle_alpha 90
_cell_angle_beta 106.979
_cell_angle_gamma 90
_cell_volume 383.230
_exptl_crystal_density_diffrn      3.503
_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   0.30250   0.25000   0.01469
AlM1   0.00000   0.90810   0.25000   0.00798
Si   0.29130   0.09460   0.22910   0.00811
O1   0.10860   0.07790   0.12950   0.00937
O2   0.36100   0.26750   0.30120   0.01064
O3   0.35620   0.01380   0.00050   0.01089