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 = 9.17 GPa
;
_database_code_amcsd 0004513
_chemical_compound_source 'Clear Creek, San Benito County, California'
_chemical_formula_sum 'Na Al Si2 O6'
_cell_length_a 9.2185
_cell_length_b 8.3871
_cell_length_c 5.1099
_cell_angle_alpha 90
_cell_angle_beta 106.794
_cell_angle_gamma 90
_cell_volume 378.229
_exptl_crystal_density_diffrn      3.550
_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   0.30440   0.25000   0.01343
AlM1   0.00000   0.90780   0.25000   0.00684
Si   0.29130   0.09570   0.22970   0.00697
O1   0.10870   0.07990   0.13060   0.00760
O2   0.36090   0.26770   0.30400   0.01203
O3   0.35730   0.01450  -0.00050   0.00988