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
 37 kbar continuous scan
;
_database_code_amcsd 0000941
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.7049
_cell_length_b 7.8375
_cell_length_c 5.5262
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 333.711
_exptl_crystal_density_diffrn      3.225
_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   0.36990   0.13870   0.50000
Si   0.24670   0.25000   0.00000
OA   0.42030   0.36390   0.50000
OB   0.42690   0.35980   0.00000
OC   0.10340   0.40080   0.00000
OD   0.22960   0.13080   0.23990
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 0.00872 0.00560 0.00201 0.00031 0.00000 0.00000
Al2 0.00481 0.00622 0.00340 0.00122 0.00000 0.00000
Si 0.00361 0.00467 0.00774 0.00031 0.00000 0.00000
OA 0.00722 0.00591 0.00418 -0.00337 0.00000 0.00000
OB 0.00812 0.00653 0.00572 -0.00061 0.00000 0.00000
OC 0.00632 0.00311 0.01006 0.00031 0.00000 0.00000
OD 0.00722 0.00622 0.00511 -0.00092 -0.00216 0.00219