data_global _chemical_name_mineral 'Holtite' loop_ _publ_author_name 'Hoskins B F' 'Mumme W G' 'Pryce M W' _journal_name_full 'Mineralogical Magazine' _journal_volume 53 _journal_year 1989 _journal_page_first 457 _journal_page_last 463 _publ_section_title ; Holtite, (Si2.25Sb0.75)B[Al6(Al0.43 Ta0.27[]0.30)O15(O,OH)2.25]: crystal structure and crystal chemistry ; _database_code_amcsd 0014489 _chemical_compound_source 'Greenbrushes, Australia' _chemical_formula_sum 'Al6.43 Ta.27 Si2.25 Sb.75 B O17.25' _cell_length_a 4.6914 _cell_length_b 11.896 _cell_length_c 20.383 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1137.553 _exptl_crystal_density_diffrn 3.875 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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_occupancy Al1 0.40520 0.75000 0.24990 0.43000 Ta1 0.40520 0.75000 0.24990 0.27000 Al2 0.55710 0.61070 0.47350 1.00000 Al3 0.05880 0.48990 0.43150 1.00000 Al4 0.06030 0.35930 0.29020 1.00000 Si1 0.08780 0.75000 0.40770 0.75000 Sb1 0.11500 0.75000 0.38230 0.25000 Si2 0.58900 0.52160 0.32940 0.75000 Sb2 0.61170 0.56320 0.31640 0.25000 B 0.22520 0.25000 0.41580 1.00000 O1 0.37980 0.75000 0.45720 1.00000 O2 0.16180 0.75000 0.33050 0.75000 O3 0.89060 0.63770 0.42430 1.00000 O4 0.40160 0.43480 0.28150 1.00000 O5 0.39220 0.55110 0.39420 1.00000 O6 0.88370 0.45040 0.35180 1.00000 O7 0.66080 0.63330 0.28860 0.75000 O8 0.17290 0.25000 0.34990 1.00000 O9 0.25310 0.35080 0.44770 1.00000 O10 0.76200 0.25000 0.27340 1.00000 O11 0.74980 0.46700 0.48830 1.00000 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 0.01360 0.00240 0.00250 0.00000 -0.00040 0.00000 Ta1 0.01360 0.00240 0.00250 0.00000 -0.00040 0.00000 Al2 0.00450 0.00440 0.00480 -0.00040 -0.00030 0.00060 Al3 0.00430 0.00520 0.00470 -0.00020 0.00000 0.00030 Al4 0.00820 0.00710 0.00850 0.00000 -0.00100 0.00130 Si1 0.00370 0.00360 0.00580 0.00000 0.00010 0.00000 Sb1 0.00400 0.00360 0.00520 0.00000 0.00070 0.00000 Si2 0.00350 0.00780 0.00330 0.00130 -0.00050 -0.00190 Sb2 0.00430 0.00320 0.00280 -0.00050 0.00090 0.00110 B 0.00290 0.00260 0.00680 0.00000 -0.00190 0.00000 O1 0.00640 0.00420 0.00840 0.00000 -0.00080 0.00000 O2 0.01330 0.01160 0.00790 0.00000 0.00090 0.00000 O3 0.00520 0.00600 0.00730 0.00040 0.00160 0.00060 O4 0.00620 0.00630 0.00760 -0.00020 0.00110 -0.00110 O5 0.00510 0.00740 0.00570 -0.00150 0.00110 0.00030 O6 0.00890 0.00770 0.00620 0.00090 -0.00120 -0.00070 O7 0.01090 0.00980 0.01010 0.00010 -0.00160 0.00280 O8 0.01050 0.00820 0.00550 0.00000 -0.00050 0.00000 O9 0.00830 0.00530 0.00550 0.00120 0.00180 -0.00040 O10 0.00700 0.00580 0.01410 0.00000 -0.00060 0.00000 O11 0.00460 0.00560 0.00620 -0.00090 -0.00030 -0.00080