data_global _chemical_name_mineral 'Kupletskite-(Cs)' loop_ _publ_author_name 'Camara F' 'Sokolova E' 'Abdu Y' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 1 _journal_page_last 16 _publ_section_title ; The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich astrophyllite: Revisions to the crystal chemistry of the astrophyllite-group minerals ; _database_code_amcsd 0006310 _chemical_compound_source 'Dara-i-Pioz glacier, Tien-Shan mountains, northern Tajikistan' _chemical_formula_sum 'Cs1.42 K.36 Ca.35 Pb.06 Na.79 Sr.02 Mn3.74 Li.67 Fe1.98 Zn.5 Mg.11 (Ti1.54 Nb.46) (Si7.92 Al.08) O30.29 F.71 H4.29' _cell_length_a 5.3850 _cell_length_b 11.9350 _cell_length_c 11.7793 _cell_angle_alpha 113.117 _cell_angle_beta 94.614 _cell_angle_gamma 103.075 _cell_volume 666.002 _exptl_crystal_density_diffrn 3.612 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,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 CsA1 0.15101 0.29883 0.99834 0.71000 0.02171 KA1 0.15101 0.29883 0.99834 0.06000 0.02171 KA2 0.11230 0.21820 0.99760 0.12000 0.02171 CaA2 0.11230 0.21820 0.99760 0.04000 0.02171 PbA2 0.11230 0.21820 0.99760 0.03000 0.02171 NaA2 0.11230 0.21820 0.99760 0.03000 0.02171 SrA2 0.11230 0.21820 0.99760 0.01000 0.02171 NaB 0.50000 0.00000 0.00000 0.73000 0.01370 CaB 0.50000 0.00000 0.00000 0.27000 0.01370 MnM1 0.84929 0.20464 0.47646 0.84000 0.01001 LiM1 0.84929 0.20464 0.47646 0.16000 0.01001 FeM2 0.27839 0.06637 0.48642 0.58000 0.01114 MnM2 0.27839 0.06637 0.48642 0.38000 0.01114 LiM2 0.27839 0.06637 0.48642 0.04000 0.01114 MnM3 0.42056 0.35069 0.48188 0.65000 0.01106 Fe2+M3 0.42056 0.35069 0.48188 0.18000 0.01106 Fe3+M3 0.42056 0.35069 0.48188 0.07000 0.01106 LiM3 0.42056 0.35069 0.48188 0.10000 0.01106 ZnM4 0.00000 0.50000 0.50000 0.50000 0.01000 FeM4 0.00000 0.50000 0.50000 0.32000 0.01000 MgM4 0.00000 0.50000 0.50000 0.11000 0.01000 LiM4 0.00000 0.50000 0.50000 0.07000 0.01000 TiD 0.07679 0.08356 0.19345 0.77000 0.00853 NbD 0.07679 0.08356 0.19345 0.23000 0.00853 SiT1 0.67902 0.27225 0.23299 0.99000 0.00851 AlT1 0.67902 0.27225 0.23299 0.01000 0.00851 SiT2 0.81517 0.54765 0.25821 0.99000 0.00777 AlT2 0.81517 0.54765 0.25821 0.01000 0.00777 SiT3 0.38069 0.67665 0.26053 0.99000 0.00738 AlT3 0.38069 0.67665 0.26053 0.01000 0.00738 SiT4 0.50596 0.93100 0.23615 0.99000 0.00792 AlT4 0.50596 0.93100 0.23615 0.01000 0.00792 O1 0.72700 0.31830 0.38340 1.00000 0.01190 O2 0.14440 0.15700 0.36580 1.00000 0.01130 O3 0.12710 0.39100 0.59100 1.00000 0.01070 O-h4 0.29680 0.46310 0.39990 1.00000 0.01420 O-h5 0.99140 0.11870 0.59260 1.00000 0.01340 O6 0.55640 0.25650 0.58810 1.00000 0.01010 O7 0.57340 0.01330 0.38730 1.00000 0.01120 O8 0.07570 0.59098 0.20490 1.00000 0.01270 O9 0.25030 0.04240 0.82920 1.00000 0.01830 O10 0.42650 0.41291 0.79553 1.00000 0.01240 O11 0.12690 0.80710 0.83090 1.00000 0.01800 O12 0.26280 0.95490 0.17110 1.00000 0.01830 O13 0.26760 0.60582 0.80379 1.00000 0.01450 O14 0.57270 0.22182 0.80030 1.00000 0.01490 O15 0.38540 0.18970 0.16800 1.00000 0.01760 O-HX 0.00000 0.00000 0.00000 0.29000 0.01920 FX 0.00000 0.00000 0.00000 0.71000 0.01920 H1 0.25100 0.41600 0.30820 1.00000 0.01707 H2 1.02600 0.15900 0.68520 1.00000 0.01613 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 CsA1 0.02442 0.02230 0.01744 0.00580 0.00333 0.00796 KA1 0.02442 0.02230 0.01744 0.00580 0.00333 0.00796 KA2 0.02442 0.02230 0.01744 0.00580 0.00333 0.00796 CaA2 0.02442 0.02230 0.01744 0.00580 0.00333 0.00796 PbA2 0.02442 0.02230 0.01744 0.00580 0.00333 0.00796 NaA2 0.02442 0.02230 0.01744 0.00580 0.00333 0.00796 SrA2 0.02442 0.02230 0.01744 0.00580 0.00333 0.00796 NaB 0.02330 0.00920 0.00680 0.00340 0.00180 0.00250 CaB 0.02330 0.00920 0.00680 0.00340 0.00180 0.00250 MnM1 0.01130 0.00890 0.01030 0.00350 0.00273 0.00410 LiM1 0.01130 0.00890 0.01030 0.00350 0.00273 0.00410 FeM2 0.01120 0.01010 0.01300 0.00345 0.00345 0.00530 MnM2 0.01120 0.01010 0.01300 0.00345 0.00345 0.00530 LiM2 0.01120 0.01010 0.01300 0.00345 0.00345 0.00530 MnM3 0.01220 0.01130 0.01310 0.00527 0.00477 0.00710 Fe2+M3 0.01220 0.01130 0.01310 0.00527 0.00477 0.00710 Fe3+M3 0.01220 0.01130 0.01310 0.00527 0.00477 0.00710 LiM3 0.01220 0.01130 0.01310 0.00527 0.00477 0.00710 ZnM4 0.01020 0.00870 0.01210 0.00300 0.00230 0.00520 FeM4 0.01020 0.00870 0.01210 0.00300 0.00230 0.00520 MgM4 0.01020 0.00870 0.01210 0.00300 0.00230 0.00520 LiM4 0.01020 0.00870 0.01210 0.00300 0.00230 0.00520 TiD 0.00550 0.00680 0.01490 0.00232 0.00273 0.00570 NbD 0.00550 0.00680 0.01490 0.00232 0.00273 0.00570 SiT1 0.00920 0.00800 0.00880 0.00230 0.00160 0.00410 AlT1 0.00920 0.00800 0.00880 0.00230 0.00160 0.00410 SiT2 0.00870 0.00610 0.00870 0.00210 0.00170 0.00330 AlT2 0.00870 0.00610 0.00870 0.00210 0.00170 0.00330 SiT3 0.00850 0.00630 0.00790 0.00200 0.00170 0.00350 AlT3 0.00850 0.00630 0.00790 0.00200 0.00170 0.00350 SiT4 0.00930 0.00590 0.00850 0.00160 0.00100 0.00330 AlT4 0.00930 0.00590 0.00850 0.00160 0.00100 0.00330 O1 0.01310 0.01410 0.00850 0.00240 0.00110 0.00560 O2 0.01490 0.01240 0.00560 0.00540 0.00160 0.00220 O3 0.01110 0.00990 0.01090 0.00300 0.00160 0.00410 O-h4 0.01490 0.01400 0.01500 0.00430 0.00380 0.00700 O-h5 0.01490 0.01410 0.01270 0.00490 0.00180 0.00680 O6 0.01130 0.00950 0.00830 0.00230 0.00070 0.00310 O7 0.01240 0.01090 0.00900 0.00350 0.00040 0.00310 O8 0.00990 0.01420 0.01210 0.00120 23.00000 0.00480 O9 0.01620 0.01730 0.01490 -0.00270 0.00570 0.00360 O10 0.01280 0.01300 0.01200 0.00680 0.00130 0.00430 O11 0.02530 0.02340 0.01520 0.01900 0.00880 0.01050 O12 0.02120 0.01530 0.01670 0.01080 -0.00190 0.00300 O13 0.02140 0.00750 0.01400 0.00250 0.00230 0.00500 O14 0.02350 0.00850 0.01270 0.00380 0.00280 0.00500 O15 0.01450 0.02030 0.01420 -0.00450 -0.00060 0.00930 O-HX 0.02360 0.01920 0.01380 0.00620 0.00300 0.00600 FX 0.02360 0.01920 0.01380 0.00620 0.00300 0.00600