data_global
_chemical_name_mineral 'Jadeite'
loop_
_publ_author_name
'Nestola F'
'Ballaran T B'
'Liebske C'
'Thompson R'
'Downs R T'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 1005
_journal_page_last 1013
_publ_section_title
;
 The effect of the hedenbergitic substitution on the compressibility
 of jadeite
 Sample: Jd100Hd0, P = 0 GPa
;
_database_code_amcsd 0004602
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na Al Si2 O6'
_cell_length_a 9.4278
_cell_length_b 8.5651
_cell_length_c 5.2262
_cell_angle_alpha 90
_cell_angle_beta 107.624
_cell_angle_gamma 90
_cell_volume 402.208
_exptl_crystal_density_diffrn      3.338
_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   0.30020   0.25000   0.00860
AlM1   0.00000   0.90610   0.25000   0.00490
SiT   0.29020   0.09350   0.22810   0.00450
O1   0.11120   0.07570   0.12930   0.00560
O2   0.36020   0.26340   0.29390   0.00720
O3   0.35340   0.00710   1.00660   0.00750