data_global
_chemical_name_mineral 'Andalusite'
loop_
_publ_author_name
'Ralph R L'
'Finger L W'
'Hazen R M'
'Ghose S'
_journal_name_full 'American Mineralogist'
_journal_volume 69 
_journal_year 1984
_journal_page_first 513
_journal_page_last 519
_publ_section_title
;
 Compressibility and crystal structure of andalusite at high pressure
 12 kbar continuous-scan
;
_database_code_amcsd 0000938
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.7599
_cell_length_b 7.8735
_cell_length_c 5.544
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 338.725
_exptl_crystal_density_diffrn      3.178
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1   0.00000   0.00000   0.24140
Al2   0.35930   0.13900   0.50000
Si   0.24610   0.25150   0.00000
OA   0.42220   0.36310   0.50000
OB   0.42470   0.36210   0.00000
OC   0.10340   0.40040   0.00000
OD   0.22980   0.13370   0.23890
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al1 0.00946 0.00628 0.00903 0.00124 0.00000 0.00000
Al2 0.00671 0.00597 0.00841 0.00031 0.00000 0.00000
Si 0.00580 0.00628 0.00638 0.00062 0.00000 0.00000
OA 0.01037 0.00502 0.00919 -0.00031 0.00000 0.00000
OB 0.00915 0.00691 0.00934 -0.00155 0.00000 0.00000
OC 0.00549 0.00848 0.00919 0.00031 0.00000 0.00000
OD 0.00732 0.01005 0.00561 -0.00155 -0.00022 0.00044