data_global
_chemical_name_mineral 'Topaz'
loop_
_publ_author_name
'Wunder B'
'Rubie D C'
'Ross C R'
'Medenbach O'
'Seifert F'
'Schreyer W'
_journal_name_full 'American Mineralogist'
_journal_volume 78 
_journal_year 1993
_journal_page_first 285
_journal_page_last 297
_publ_section_title
;
 Synthesis, stability, and properties of Al2SiO4(OH)2: A fully hydrated
 analogue of topaz
;
_database_code_amcsd 0001552
_chemical_formula_sum 'Al2 Si O6 H2'
_cell_length_a 4.7238
_cell_length_b 8.9473
_cell_length_c 8.3900
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 354.606
_exptl_crystal_density_diffrn      3.373
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-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,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al  -0.09480   0.13220   0.07980
Si   0.40190  -0.05950   0.25000
O1  -0.28970   0.02610   0.25000
O2   0.05540   0.25580   0.25000
O3   0.21420  -0.00690   0.09400
O-H  -0.41030   0.25080   0.06650
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
Al 0.00980 0.00890 0.01370 0.00020 0.00020 0.00000
Si 0.00900 0.00880 0.01450 0.00000 0.00000 0.00000
O1 0.00880 0.00950 0.01500 -0.00060 0.00000 0.00000
O2 0.01080 0.01020 0.01500 -0.00030 0.00000 0.00000
O3 0.01010 0.01000 0.01360 0.00100 0.00060 0.00000
O-H 0.01060 0.01220 0.01670 0.00210 0.00010 0.00160