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
 25 kbar step-scan
;
_database_code_amcsd 0000940
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.7382
_cell_length_b 7.8571
_cell_length_c 5.5338
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 336.454
_exptl_crystal_density_diffrn      3.199
_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   0.24190
Al2   0.37020   0.13860   0.50000
Si   0.24600   0.25050   0.00000
OA   0.42200   0.36320   0.50000
OB   0.42600   0.36080   0.00000
OC   0.10310   0.39990   0.00000
OD   0.23030   0.13240   0.23870
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 0.01092 0.00813 0.00109 0.00277 0.00000 0.00000
Al2 0.00667 0.00625 0.00807 -0.00092 0.00000 0.00000
Si 0.00576 0.00594 0.00729 0.00000 0.00000 0.00000
OA 0.00758 0.00844 0.01024 0.00123 0.00000 0.00000
OB 0.00758 0.01095 0.00264 -0.00277 0.00000 0.00000
OC 0.01092 0.00782 0.01055 -0.00370 0.00000 0.00000
OD 0.00910 0.00938 0.00264 -0.00123 -0.00065 0.00000