data_global
_chemical_name_mineral 'Jadeite'
loop_
_publ_author_name
'Posner E S'
'Dera P'
'Downs R T'
'Lazarz J D'
'Irmen P'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 41 
_journal_year 2014
_journal_page_first 695
_journal_page_last 707
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 5.6 GPa
;
_database_code_amcsd 0020194
_chemical_compound_source 'Clear Creek, San Benito County, California, USA'
_chemical_formula_sum 'Na Al Si2 O6'
_cell_length_a 9.300
_cell_length_b 8.447
_cell_length_c 5.157
_cell_angle_alpha 90
_cell_angle_beta 107.14
_cell_angle_gamma 90
_cell_volume 387.127
_exptl_crystal_density_diffrn      3.468
_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   0.01500
AlM1   0.00000   0.09230   0.75000   0.00700
Si   0.29090   0.09460   0.22840   0.00800
O1   0.10930   0.07670   0.12920   0.00600
O2   0.36090   0.26690   0.30210   0.01200
O3   0.14390   0.48840  -0.00180   0.00900