data_global
_amcsd_formula_title 'AlSiO3OH'
loop_
_publ_author_name
'Schmidt M W'
'Finger L W'
'Angel R J'
'Dinnebier R E'
_journal_name_full 'American Mineralogist'
_journal_volume 83 
_journal_year 1998
_journal_page_first 881
_journal_page_last 888
_publ_section_title
;
 Synthesis, crystal structure, and phase relations of AlSiO3OH, a high-pressure
 hydrous phase
;
_database_code_amcsd 0002027
_chemical_formula_sum 'Al Si H O4'
_cell_length_a 7.14409
_cell_length_b 4.33462
_cell_length_c 6.95253
_cell_angle_alpha 90
_cell_angle_beta 98.369
_cell_angle_gamma 90
_cell_volume 213.006
_exptl_crystal_density_diffrn      3.744
_symmetry_space_group_name_H-M 'P 1 21/n 1'
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'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al   0.06463   0.02406   0.70840   0.00342
Si   0.68048   0.01714   0.58383   0.00398
H   0.79600   0.55300   0.42200   0.02153
O1   0.15130   0.20230   0.26000   0.00443
O2   0.52260   0.19370   0.39430   0.00329
O3   0.88004   0.20070   0.51236   0.00241
O4   0.76017   0.21460   0.12880   0.00393