data_global
_chemical_name_mineral 'Topaz-OH'
loop_
_publ_author_name
'Kanzaki M'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 1349
_journal_page_last 1352
_publ_section_title
;
 Crystal structure of a new high-pressure polymorph of topaz-OH
 P = 14 GPa, T = 1400 C
;
_database_code_amcsd 0017560
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al.68 Si.32 O2 H.68'
_cell_length_a 4.72318
_cell_length_b 8.91480
_cell_length_c 2.77276
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 116.750
_exptl_crystal_density_diffrn      3.415
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
AlT   0.58760   0.44020   0.25000   0.01000   0.01630
SiT   0.58760   0.44020   0.25000   0.20000   0.01630
AlOc1   0.58120   0.85870   0.25000   0.60000   0.02130
SiOc1   0.58120   0.85870   0.25000   0.11000   0.02130
AlOc2   0.57900   0.62980   0.25000   0.07000   0.01630
SiOc2   0.57900   0.62980   0.25000   0.01000   0.01630
O1   0.58910   0.24820   0.25000   0.66000   0.02820
O-H1   0.58910   0.24820   0.25000   0.34000   0.02820
O2   0.23650   0.50980   0.25000   0.66000   0.03340
O-H2   0.23650   0.50980   0.25000   0.34000   0.03340