data_global _chemical_name_mineral 'Yusupovite' loop_ _publ_author_name 'Agakhanov A A' 'Pautov L A' 'Karpenko V Y' 'Sokolova E' 'Abdu Y A' 'Hawthorne F C' 'Pekov I V' 'Siidra O I' _journal_name_full 'American Mineralogist' _journal_volume 100 _journal_year 2015 _journal_page_first 1502 _journal_page_last 1508 _publ_section_title ; Yusupovite, Na2Zr(Si6O15)(H2O)3, a new mineral species from the Darai-Pioz alkaline massif and its implications as a new microporous filter for large ions ; _database_code_amcsd 0020332 _chemical_compound_source 'Darai-Pioz alkaline massif, Tajikistan' _chemical_formula_sum 'Zr3.28 Y.68 Hf.04 Nb.08 Na7.04 Si24 Cs.44 K.48 O70.08 H20.16' _cell_length_a 14.5975 _cell_length_b 14.1100 _cell_length_c 14.4394 _cell_angle_alpha 90 _cell_angle_beta 90.0399 _cell_angle_gamma 90 _cell_volume 2974.093 _exptl_crystal_density_diffrn 2.712 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 Zr1 0.25000 0.25000 0.50000 0.82000 0.00751 Y1 0.25000 0.25000 0.50000 0.16000 0.00751 Hf1 0.25000 0.25000 0.50000 0.02000 0.00751 Nb1 0.25000 0.25000 0.50000 0.04000 0.00751 Zr2 0.25000 0.25000 0.00000 0.82000 0.00762 Y2 0.25000 0.25000 0.00000 0.18000 0.00762 Na1 0.26322 0.24852 0.75107 0.95000 0.03480 Na2 0.26580 0.00000 0.96410 0.84000 0.04210 Na3 0.22890 0.00000 0.46040 0.78000 0.05320 Si1 0.40226 0.10964 0.12184 1.00000 0.01024 Si2 0.09773 0.10957 0.62292 1.00000 0.01015 Si3 0.11967 0.11179 0.83638 1.00000 0.01068 Si4 0.37685 0.11193 0.33527 1.00000 0.01102 Si5 0.04951 0.23600 0.14315 1.00000 0.01065 Si6 0.45223 0.23339 0.64091 1.00000 0.01080 Cs1 0.15460 0.00000 0.10720 0.06000 0.04000 K1 0.15460 0.00000 0.10720 0.06000 0.04000 K2 0.14540 0.00000 0.38710 0.10000 0.05620 Cs2 0.14540 0.00000 0.38710 0.08000 0.05620 Cs3 0.34900 0.00000 0.59750 0.08000 0.05700 K3 0.34900 0.00000 0.59750 0.08000 0.05700 O1 0.42304 0.24713 0.74887 1.00000 0.02210 O2 0.12710 0.00000 0.85780 1.00000 0.02060 O3 0.32442 0.13087 0.04805 1.00000 0.01690 O4 0.14180 0.21603 0.08931 1.00000 0.01870 O5 0.36157 0.21273 0.58484 1.00000 0.02020 O6 0.36890 0.00000 0.35650 1.00000 0.02160 O7 0.43570 0.00000 0.11890 1.00000 0.02000 O8 -0.00603 0.32790 0.10747 1.00000 0.01950 O9 0.01651 0.14345 0.86301 1.00000 0.02160 O10 0.17591 0.13037 0.54935 1.00000 0.01730 O11 0.06360 0.00000 0.61970 1.00000 0.01960 O12 0.50610 0.32775 0.60866 1.00000 0.01990 O13 0.52078 0.14284 0.63442 1.00000 0.02190 O14 0.36265 0.13228 0.22537 1.00000 0.02060 O15 0.13732 0.13192 0.72676 1.00000 0.02070 O16 0.19624 0.16703 0.89243 1.00000 0.01910 O17 0.29891 0.16735 0.38874 1.00000 0.02020 Wat1 0.51810 0.00000 0.48510 0.50000 0.05000 Wat2 0.35340 0.02490 0.80960 0.42000 0.05000 Wat3 0.35520 0.00000 0.89950 0.50000 0.05000 Wat4 0.14380 0.00000 0.31200 0.78000 0.05000 Wat5 0.35560 0.00000 0.85990 0.48000 0.05000 Wat6 0.13860 0.00000 0.07740 0.84000 0.05000 Wat7 0.00000 0.00000 0.00000 0.28000 0.05000 Wat8 0.37080 0.00000 0.55750 0.40000 0.05000 Wat9 0.33380 0.00000 0.63380 0.36000 0.05000 Wat10 0.17300 0.01700 0.15600 0.10000 0.05000 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 Zr1 0.00725 0.00838 0.00689 0.00023 -0.00024 -0.00052 Y1 0.00725 0.00838 0.00689 0.00023 -0.00024 -0.00052 Hf1 0.00725 0.00838 0.00689 0.00023 -0.00024 -0.00052 Nb1 0.00725 0.00838 0.00689 0.00023 -0.00024 -0.00052 Zr2 0.00717 0.00861 0.00707 -0.00039 -0.00020 -0.00066 Y2 0.00717 0.00861 0.00707 -0.00039 -0.00020 -0.00066 Na1 0.01490 0.05790 0.03160 -0.00040 -0.00150 0.01130 Na2 0.05080 0.01820 0.05710 0.00000 -0.03610 0.00000 Na3 0.06700 0.01980 0.07200 0.00000 0.05200 0.00000 Si1 0.01170 0.00820 0.01090 -0.00100 -0.00160 0.00030 Si2 0.01180 0.00820 0.01050 0.00120 0.00100 0.00030 Si3 0.01300 0.00710 0.01190 0.00020 -0.00350 -0.00050 Si4 0.01380 0.00730 0.01200 -0.00020 0.00360 -0.00070 Si5 0.00870 0.01250 0.01080 0.00140 0.00120 0.00050 Si6 0.00880 0.01290 0.01070 -0.00180 -0.00140 0.00000 Cs1 0.03500 0.01760 0.06700 0.00000 0.00400 0.00000 K1 0.03500 0.01760 0.06700 0.00000 0.00400 0.00000 K2 0.02940 0.03080 0.10800 0.00000 0.00730 0.00000 Cs2 0.02940 0.03080 0.10800 0.00000 0.00730 0.00000 Cs3 0.05200 0.03800 0.08100 0.00000 -0.00400 0.00000 K3 0.05200 0.03800 0.08100 0.00000 -0.00400 0.00000 O1 0.01770 0.03770 0.01080 -0.00040 -0.00040 -0.00130 O2 0.02900 0.00590 0.02710 0.00000 -0.00710 0.00000 O3 0.01720 0.01700 0.01630 -0.00050 -0.00570 0.00070 O4 0.01450 0.02120 0.02060 0.00500 0.00610 0.00060 O5 0.01530 0.02450 0.02080 -0.00560 -0.00750 0.00040 O6 0.03070 0.00650 0.02770 0.00000 0.00540 0.00000 O7 0.02140 0.00740 0.03120 0.00000 -0.00250 0.00000 O8 0.01750 0.01790 0.02320 0.00720 0.00090 0.00220 O9 0.01600 0.01680 0.03210 0.00400 0.00230 0.00060 O10 0.01790 0.01770 0.01620 -0.00020 0.00410 0.00040 O11 0.02130 0.00830 0.02920 0.00000 0.00060 0.00000 O12 0.01760 0.01760 0.02450 -0.00730 -0.00150 0.00150 O13 0.01810 0.01860 0.02890 0.00480 -0.00300 -0.00170 O14 0.02510 0.02520 0.01170 0.00330 0.00190 -0.00010 O15 0.02660 0.02370 0.01170 -0.00260 -0.00210 -0.00090 O16 0.02110 0.01630 0.01990 -0.00370 -0.00820 -0.00290 O17 0.02280 0.01570 0.02210 0.00390 0.00930 -0.00220