data_global
_chemical_name_mineral 'Andalusite'
loop_
_publ_author_name
'Winter J K'
'Ghose S'
_journal_name_full 'American Mineralogist'
_journal_volume 64 
_journal_year 1979
_journal_page_first 573
_journal_page_last 586
_publ_section_title
;
 Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs
 T = 800 deg C
;
_database_code_amcsd 0000731
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.8759
_cell_length_b 7.9567
_cell_length_c 5.5664
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 348.825
_exptl_crystal_density_diffrn      3.086
_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   0.24200
Al2   0.37210   0.14010   0.50000
Si   0.24630   0.25470   0.00000
Oa   0.42310   0.36500   0.00000
Ob   0.10340   0.40090   0.00000
Oc   0.42560   0.36310   0.50000
Od   0.23350   0.13710   0.23900
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 0.02703 0.02149 0.00926 0.00857 0.00000 0.00000
Al2 0.01037 0.01604 0.01240 -0.00032 0.00000 0.00000
Si 0.01037 0.01379 0.01067 0.00032 0.00000 0.00000
Oa 0.01288 0.02181 0.01209 -0.00476 0.00000 0.00000
Ob 0.01006 0.01507 0.04034 0.00127 0.00000 0.00000
Oc 0.01917 0.01604 0.01271 -0.00317 0.00000 0.00000
Od 0.01885 0.02277 0.01350 -0.00381 -0.00378 0.00404