data_global
_chemical_name_mineral 'Jadeite'
loop_
_publ_author_name
'Knight K S'
'Price G D'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 46 
_journal_year 2008
_journal_page_first 1593
_journal_page_last 1622
_publ_section_title
;
 Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure
 and thermoelastic properties of jadeite between 1.5 and 270 K
 Note: T = 194.3 K
;
_database_code_amcsd 0006263
_chemical_compound_source 'Hweka and Mamon mining district, Burma'
_chemical_formula_sum 'Na Al Si2 O6'
_cell_length_a 9.41972
_cell_length_b 8.56046
_cell_length_c 5.22206
_cell_angle_alpha 90
_cell_angle_beta 107.5709
_cell_angle_gamma 90
_cell_volume 401.446
_exptl_crystal_density_diffrn      3.345
_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
Na   0.00000   0.30100   0.25000   0.00830
Al   0.00000   0.90690   0.25000   0.00270
Si   0.29099   0.09335   0.22790   0.00202
O1   0.10925   0.07592   0.12829   0.00400
O2   0.36078   0.26321   0.29318   0.00435
O3   0.35374   0.00756   0.00624   0.00409