data_global _chemical_name_mineral 'Yakovenchukite-(Y)' loop_ _publ_author_name 'Krivovichev S V' 'Pakhomovsky Y A' 'Ivanyuk G Y' 'Mikhailova J A' 'Men'shikov Y P' 'Armbruster T' 'Selivanova E A' 'Meisser N' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 1525 _journal_page_last 1530 _publ_section_title ; Yakovenchukite-(Y), K3NaCaY2(Si12O30)(H2O)4, a new mineral from the Khibiny massif, Kola Peninsula, Russia: a novel type of octahedral-tetrahedral open-framework structure ; _database_code_amcsd 0004453 _chemical_compound_source 'Khibiny massif, Kola Peninsula, Russia' _chemical_formula_sum 'K2.76 Na Ca1.12 (Y1.66 Yb.34) Si12 O34 H8' _cell_length_a 14.972 _cell_length_b 14.137 _cell_length_c 14.594 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3088.954 _exptl_crystal_density_diffrn 2.734 _symmetry_space_group_name_H-M 'P c c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '1/2+x,y,-z' '1/2-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 K1 0.50000 0.26770 0.25000 0.88000 0.04100 K2 0.08960 0.26190 0.10220 0.94000 0.03840 Na 0.25000 0.50000 0.01280 1.00000 0.04200 Ca1 0.25000 0.00000 0.03000 1.00000 0.01570 Ca2 0.03920 0.24400 0.00600 0.06000 0.01300 Y1 0.00000 0.50000 0.50000 0.84000 0.01370 Yb1 0.00000 0.50000 0.50000 0.16000 0.01370 Y2 0.00000 0.00000 0.50000 0.82000 0.01430 Yb2 0.00000 0.00000 0.50000 0.18000 0.01430 Si1 0.12520 0.35880 0.34400 1.00000 0.01490 Si2 0.12150 0.14340 0.35100 1.00000 0.01610 Si3 0.16990 0.64020 0.37680 1.00000 0.01690 Si4 0.17590 -0.13590 0.37170 1.00000 0.01410 Si5 0.09720 -0.02640 0.21750 1.00000 0.01580 Si6 0.14520 0.51820 0.20190 1.00000 0.02070 O1 0.00000 -0.06420 0.25000 1.00000 0.02200 O2 0.14070 0.60310 0.27680 1.00000 0.02500 O3 0.11500 0.07750 0.26080 1.00000 0.01900 O4 0.11420 0.41830 0.25030 1.00000 0.02500 O5 0.16670 -0.10190 0.26560 1.00000 0.01700 O6 0.22330 0.38100 0.38870 1.00000 0.02000 O7 0.12340 0.25000 0.30740 1.00000 0.02000 O8 0.21850 0.12190 0.40070 1.00000 0.01900 O9 0.04450 0.12890 0.42500 1.00000 0.02100 O10 0.04990 0.37990 0.41760 1.00000 0.02000 O11 0.15080 0.75200 0.37670 1.00000 0.02200 O12 0.09060 0.54520 0.11470 1.00000 0.02800 O13 0.10750 -0.02640 0.11030 1.00000 0.02400 O14 0.11880 0.59100 0.45860 1.00000 0.02300 O15 0.25000 0.50000 0.17320 1.00000 0.02800 O16 0.11980 -0.07440 0.44010 1.00000 0.02000 Wat17 0.40590 0.25240 0.08250 1.00000 0.05700 Wat18 0.24290 0.16400 0.10460 1.00000 0.04100 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 K1 0.03080 0.02600 0.06500 0.00000 0.02600 0.00000 K2 0.01800 0.03700 0.06100 0.00460 0.00130 0.00410 Na 0.04700 0.05300 0.02700 -0.01400 0.00000 0.00000 Ca1 0.00960 0.02000 0.01700 0.00400 0.00000 0.00000 Y1 0.01030 0.01590 0.01510 -0.00020 0.00080 0.00060 Yb1 0.01030 0.01590 0.01510 -0.00020 0.00080 0.00060 Y2 0.00990 0.01760 0.01540 0.00080 0.00140 0.00130 Yb2 0.00990 0.01760 0.01540 0.00080 0.00140 0.00130 Si1 0.01000 0.01100 0.02400 -0.00040 -0.00270 -0.00270 Si2 0.01400 0.01900 0.01500 -0.00070 0.00120 -0.00130 Si3 0.01210 0.01900 0.02000 -0.00230 0.00130 -0.00230 Si4 0.01200 0.01100 0.02000 0.00030 -0.00020 -0.00210 Si5 0.01440 0.01700 0.01600 -0.00070 0.00030 0.00150 Si6 0.01590 0.02600 0.02000 0.00080 0.00010 -0.00090 O1 0.01300 0.02200 0.03000 0.00000 -0.00500 0.00000 O2 0.02700 0.02500 0.02400 0.00000 -0.00400 -0.00700 O3 0.02900 0.01500 0.01300 0.00500 -0.00500 0.00700 O4 0.01900 0.02400 0.03100 -0.00300 -0.00800 0.00600 O5 0.01500 0.02600 0.00900 0.00300 0.00000 -0.00600 O6 0.01600 0.02300 0.02000 -0.00400 0.00400 -0.00900 O7 0.01900 0.01500 0.02500 -0.00500 0.00600 -0.00400 O8 0.00500 0.02300 0.03000 -0.00300 -0.00300 0.00000 O9 0.01600 0.02000 0.02700 -0.00500 0.00600 0.00400 O10 0.01500 0.03000 0.01600 -0.00700 0.00200 -0.00300 O11 0.01300 0.01900 0.03500 0.00300 0.00300 0.00400 O12 0.02500 0.03900 0.02000 -0.00700 -0.00700 0.00200 O13 0.03100 0.03200 0.01000 0.00500 -0.00400 0.00500 O14 0.02200 0.02200 0.02400 -0.00200 0.00300 0.00700 O15 0.02100 0.04800 0.01700 -0.00200 0.00000 0.00000 O16 0.01500 0.02500 0.01800 0.00700 0.00200 -0.00500 Wat17 0.06900 0.03800 0.06400 0.00800 0.00200 0.00900 Wat18 0.03500 0.05900 0.03000 0.02000 -0.00600 0.00300