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 = 249.8 K
;
_database_code_amcsd 0006269
_chemical_compound_source 'Hweka and Mamon mining district, Burma'
_chemical_formula_sum 'Na Al Si2 O6'
_cell_length_a 9.42222
_cell_length_b 8.56375
_cell_length_c 5.22302
_cell_angle_alpha 90
_cell_angle_beta 107.5710
_cell_angle_gamma 90
_cell_volume 401.780
_exptl_crystal_density_diffrn      3.342
_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   0.30110   0.25000   0.01010
Al   0.00000   0.90660   0.25000   0.00320
Si   0.29088   0.09331   0.22780   0.00229
O1   0.10916   0.07590   0.12815   0.00454
O2   0.36079   0.26311   0.29295   0.00514
O3   0.35368   0.00745   0.00608   0.00483