data_global _chemical_name_mineral 'Hyalotekite' loop_ _publ_author_name 'Moore P B' 'Araki T' 'Ghose S' _journal_name_full 'American Mineralogist' _journal_volume 67 _journal_year 1982 _journal_page_first 1012 _journal_page_last 1020 _publ_section_title ; Hyalotekite, a complex lead borosilicate: Its crystal structure and the lone-pair effect of Pb(II) ; _database_code_amcsd 0000880 _chemical_formula_sum 'Pb1.162 Ba2.838 Ca2 Si9.62 Be.38 B2 O28 F' _cell_length_a 11.310 _cell_length_b 10.955 _cell_length_c 10.317 _cell_angle_alpha 90.43 _cell_angle_beta 90.02 _cell_angle_gamma 90.16 _cell_volume 1278.246 _exptl_crystal_density_diffrn 3.827 _symmetry_space_group_name_H-M 'I -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb1 0.15430 0.17260 0.00430 0.29000 Ba1 0.18780 0.19240 0.01090 0.71000 Pb2 0.84600 0.17190 0.00460 0.29100 Ba2 0.80970 0.19270 0.01050 0.70900 Ca1 0.99960 0.00310 0.22890 1.00000 Si1 0.31720 0.49950 0.00010 0.81000 Be 0.31720 0.49950 0.00010 0.19000 Si2 0.19360 0.52670 0.24820 1.00000 Si3 0.80610 0.52740 0.24800 1.00000 Si4 0.99940 0.32220 0.26260 1.00000 Si5 0.00020 0.72240 0.28250 1.00000 B 0.49990 0.33670 0.03050 1.00000 O1 0.88450 0.63850 0.30680 1.00000 O2 0.88330 0.40430 0.23140 1.00000 O3 0.11590 0.40310 0.23250 1.00000 O4 0.11580 0.63850 0.30620 1.00000 O5 0.23280 0.56850 0.10350 1.00000 O6 0.76660 0.57000 0.10310 1.00000 O7 0.60780 0.40540 0.07910 1.00000 O8 0.39350 0.40440 0.07960 1.00000 O9 0.50200 0.21260 0.08680 1.00000 O10 0.49940 0.66600 0.11330 1.00000 O11 0.00070 0.78360 0.14280 1.00000 O12 0.99880 0.20820 0.16570 1.00000 O13 0.30200 0.50750 0.34240 1.00000 O14 0.69730 0.50830 0.34220 1.00000 F 0.00000 0.00000 0.00000 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 Pb1 0.00390 0.01240 0.00890 -0.00860 -0.00120 -0.00230 Ba1 0.04670 0.02570 0.01230 0.01820 0.00540 0.00320 Pb2 0.01220 0.01150 0.01000 0.01080 0.00060 -0.00170 Ba2 0.04010 0.02320 0.01290 -0.01160 -0.00670 0.00240 Ca1 0.00950 0.00690 0.00940 0.00110 -0.00030 0.00070 Si1 0.01000 0.01560 0.00990 0.00110 -0.00100 -0.00160 Be 0.01000 0.01560 0.00990 0.00110 -0.00100 -0.00160 Si2 0.00850 0.01080 0.01450 0.00090 -0.00020 -0.00040 Si3 0.01000 0.00980 0.01410 0.00170 0.00000 -0.00050 Si4 0.01280 0.00860 0.01240 0.00020 -0.00110 -0.00060 Si5 0.01220 0.00820 0.01040 0.00100 -0.00050 -0.00050 B 0.02030 0.01150 0.01010 0.00200 0.00100 0.00080 O1 0.02590 0.02050 0.01920 -0.00930 -0.00090 -0.00370 O2 0.02830 0.02490 0.03650 0.00980 -0.00150 -0.00810 O3 0.03090 0.02140 0.03630 -0.01140 0.00580 -0.00420 O4 0.02360 0.01930 0.01920 0.01150 -0.00150 -0.00250 O5 0.01870 0.01520 0.01580 0.00430 0.00040 0.00260 O6 0.01970 0.01720 0.01780 -0.00410 -0.00280 0.00080 O7 0.02070 0.01790 0.01290 0.00070 -0.00090 -0.00080 O8 0.02040 0.01920 0.00910 0.00220 0.00020 -0.00090 O9 0.05460 0.01640 0.01430 -0.00170 -0.00120 0.00040 O10 0.01780 0.00710 0.01770 0.00090 -0.00040 -0.00140 O11 0.02260 0.01650 0.01330 -0.00020 -0.00180 0.00160 O12 0.01680 0.01210 0.01090 0.00190 -0.00040 -0.00060 O13 0.00950 0.02040 0.01740 0.00280 0.00040 0.00110 O14 0.01560 0.02020 0.01530 -0.00410 0.00130 0.00110 F 0.02670 0.02660 0.01520 0.00260 0.00220 0.00030