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