data_global _chemical_name_mineral 'Capranicaite' loop_ _publ_author_name 'Callegari A M' 'Boiocchi M' 'Bellatreccia F' 'Caprilli E' 'Medenbach O' 'Cavallo A' _journal_name_full 'Mineralogical Magazine' _journal_volume 75 _journal_year 2011 _journal_page_first 33 _journal_page_last 43 _publ_section_title ; Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica, Italy, with a peculiar topology of the periodic single chain [Si2O6] ; _database_code_amcsd 0018373 _chemical_compound_source 'Vico volcanic complex, Capranica, Viterbo Province, Latium, Italy' _chemical_formula_sum 'Si2 Al4 B4 (Ca1.21 Na.79) K.72 Cs.07 O18' _cell_length_a 4.8507 _cell_length_b 16.6156 _cell_length_c 20.5445 _cell_angle_alpha 90 _cell_angle_beta 90.245 _cell_angle_gamma 90 _cell_volume 1655.816 _exptl_crystal_density_diffrn 2.405 _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_occupancy _atom_site_U_iso_or_equiv Si1 0.80240 0.85700 0.24960 1.00000 0.01600 Si2 0.19800 0.46930 0.25060 1.00000 0.01510 Al1 0.25170 0.53570 0.39470 1.00000 0.00990 Al2 0.24830 0.53570 0.10580 1.00000 0.00990 Al3 0.75440 0.79450 0.10440 1.00000 0.01070 Al4 0.74560 0.79510 0.39540 1.00000 0.01060 B1 0.25420 0.70720 0.08090 1.00000 0.01550 B2 0.24570 0.70740 0.41860 1.00000 0.01660 B3 0.74890 0.45820 0.42950 1.00000 0.01050 B4 -0.24960 0.45840 0.07030 1.00000 0.01160 CaM1 0.73770 0.62890 0.00370 0.60000 0.01380 NaM1 0.73770 0.62890 0.00370 0.40000 0.01380 CaM2 0.23950 0.37060 0.50380 0.61000 0.01340 NaM2 0.23950 0.37060 0.50380 0.39000 0.01340 KA 0.71250 0.63370 0.25000 0.72000 0.06000 CsA 0.71250 0.63370 0.25000 0.07000 0.06000 O1 0.61930 0.93870 0.24840 1.00000 0.03040 O2 0.11960 0.88830 0.24960 1.00000 0.03090 O3 0.74740 0.80150 0.18730 1.00000 0.02850 O4 0.74590 0.80330 0.31260 1.00000 0.02900 O5 0.24900 0.52500 0.18830 1.00000 0.02840 O6 0.25700 0.52560 0.31210 1.00000 0.02890 O7 0.52770 0.71730 0.42120 1.00000 0.01660 O8 0.42650 0.77270 0.07240 1.00000 0.01640 O9 0.97240 0.71730 0.07740 1.00000 0.01690 O10 0.07300 0.77290 0.42730 1.00000 0.01720 O11 0.03140 0.46560 0.43120 1.00000 0.01440 O12 -0.08360 0.52500 0.07270 1.00000 0.01540 O13 0.46900 0.46600 0.06900 1.00000 0.01550 O14 0.58440 0.52510 0.42750 1.00000 0.01600 O15 0.63460 0.88300 0.43460 1.00000 0.01690 O16 0.86660 0.88300 0.06620 1.00000 0.01620 O17 0.13320 0.63110 0.41790 1.00000 0.01720 O18 0.36800 0.63130 0.08360 1.00000 0.01800 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 Si1 0.01550 0.01980 0.01260 -0.00270 0.00070 0.00000 Si2 0.01350 0.01870 0.01290 -0.00150 0.00020 0.00000 Al1 0.00830 0.01000 0.01150 -0.00010 0.00020 -0.00020 Al2 0.00800 0.01010 0.01160 -0.00020 0.00010 0.00050 Al3 0.01160 0.00830 0.01220 -0.00030 0.00050 -0.00030 Al4 0.01150 0.00830 0.01180 -0.00070 0.00100 0.00030 B1 0.00670 0.00570 0.03430 -0.00030 0.00020 -0.00110 B2 0.00510 0.00400 0.04080 0.00120 0.00030 0.00000 B3 0.01070 0.01110 0.00970 0.00060 0.00020 -0.00080 B4 0.01020 0.01030 0.01420 -0.00010 0.00030 0.00040 CaM1 0.01400 0.01310 0.01440 0.00000 0.00020 -0.00010 NaM1 0.01400 0.01310 0.01440 0.00000 0.00020 -0.00010 CaM2 0.01340 0.01250 0.01420 0.00010 -0.00010 -0.00010 NaM2 0.01340 0.01250 0.01420 0.00010 -0.00010 -0.00010 KA 0.05870 0.02430 0.09700 -0.00560 0.00760 0.00150 CsA 0.05870 0.02430 0.09700 -0.00560 0.00760 0.00150 O1 0.01360 0.02880 0.04870 0.00070 0.00110 0.00160 O2 0.01480 0.02490 0.05290 -0.00200 0.00120 0.00070 O3 0.03960 0.03230 0.01350 -0.00670 -0.00050 -0.00320 O4 0.03610 0.03590 0.01490 -0.00670 0.00050 0.00380 O5 0.03960 0.03220 0.01350 -0.00490 -0.00020 0.00510 O6 0.03920 0.03430 0.01320 -0.00820 0.00120 -0.00310 O7 0.00990 0.01130 0.02860 -0.00080 -0.00010 0.00400 O8 0.01280 0.01180 0.02450 -0.00310 -0.00220 0.00450 O9 0.01040 0.01050 0.02980 0.00080 -0.00060 -0.00340 O10 0.01300 0.01270 0.02570 0.00320 -0.00150 -0.00460 O11 0.00950 0.01130 0.02230 0.00000 0.00060 0.00330 O12 0.01070 0.01000 0.02560 -0.00170 -0.00350 0.00250 O13 0.00900 0.01230 0.02520 0.00050 0.00000 -0.00390 O14 0.01020 0.01190 0.02590 0.00150 -0.00260 -0.00180 O15 0.01370 0.00940 0.02760 -0.00160 0.00590 -0.00230 O16 0.01440 0.00830 0.02590 0.00180 0.00510 0.00150 O17 0.01150 0.00930 0.03100 -0.00130 0.00250 -0.00100 O18 0.01150 0.01110 0.03130 0.00040 0.00230 0.00170