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 step-scan
;
_database_code_amcsd 0000939
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.760
_cell_length_b 7.873
_cell_length_c 5.544
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 338.708
_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   0.24160
Al2   0.37020   0.13910   0.50000
Si   0.24590   0.25140   0.00000
OA   0.42210   0.36340   0.50000
OB   0.42490   0.36230   0.00000
OC   0.10310   0.40000   0.00000
OD   0.23030   0.13270   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 0.00793 0.00534 0.00545 0.00124 0.00000 0.00000
Al2 0.00427 0.00471 0.00716 -0.00093 0.00000 0.00000
Si 0.00458 0.00377 0.00638 -0.00062 0.00000 0.00000
OA 0.00732 0.00659 0.00140 -0.00093 0.00000 0.00000
OB 0.00793 0.00628 0.00405 0.00217 0.00000 0.00000
OC 0.00458 0.00408 0.01028 -0.00093 0.00000 0.00000
OD 0.00763 0.00565 0.00701 0.00000 -0.00153 0.00221