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 = 400 deg C
;
_database_code_amcsd 0000729
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.8355
_cell_length_b 7.9289
_cell_length_c 5.5611
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 345.494
_exptl_crystal_density_diffrn      3.115
_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   0.37130   0.13960   0.50000
Si   0.24610   0.25340   0.00000
Oa   0.42390   0.36410   0.00000
Ob   0.10320   0.40040   0.00000
Oc   0.42430   0.36290   0.50000
Od   0.23200   0.13560   0.23920
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 0.01617 0.01465 0.00627 0.00472 0.00000 0.00000
Al2 0.00653 0.01178 0.00846 -0.00031 0.00000 0.00000
Si 0.00622 0.01051 0.00721 0.00000 0.00000 0.00000
Oa 0.00809 0.01433 0.00893 -0.00283 0.00000 0.00000
Ob 0.00715 0.01242 0.02554 0.00063 0.00000 0.00000
Oc 0.01244 0.01210 0.00862 -0.00189 0.00000 0.00000
Od 0.01182 0.01656 0.00909 -0.00252 -0.00243 0.00246