data_global _chemical_name_mineral 'Bijvoetite-(Y)' loop_ _publ_author_name 'Li Y' 'Burns P C' 'Gault R A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 38 _journal_year 2000 _journal_page_first 153 _journal_page_last 162 _publ_section_title ; A new rare-earth-element uranyl carbonate sheet in the structure of bijvoetite-(Y) ; _database_code_amcsd 0005642 _chemical_formula_sum 'U16 Y4.22 Ce.152 Nd.767 Sm.678 Eu.188 Gd.678 Tb.112 Dy.782 Er.226 O135 C16 H86' _cell_length_a 21.234 _cell_length_b 12.958 _cell_length_c 44.911 _cell_angle_alpha 90 _cell_angle_beta 90.00 _cell_angle_gamma 90 _cell_volume 12357.269 _exptl_crystal_density_diffrn 3.856 _symmetry_space_group_name_H-M 'B 1 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' '-x,y,-z' '1/2-x,y,1/2-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 U1 0.39380 0.36460 0.43200 1.00000 0.01760 U2 0.05490 0.42640 0.47260 1.00000 0.02070 U3 0.55510 0.33870 0.47280 1.00000 0.02280 U4 0.05400 0.41340 0.38990 1.00000 0.01930 U5 0.21580 0.41790 0.43060 1.00000 0.01780 U6 0.71620 0.34800 0.43100 1.00000 0.01710 U7 0.30450 0.41340 0.63980 1.00000 0.02330 U8 0.14320 0.40220 0.68210 1.00000 0.02110 U9 -0.10500 0.40180 0.43180 1.00000 0.01650 U10 0.46660 0.41790 0.68090 1.00000 0.01850 U11 0.55410 0.35080 0.38970 1.00000 0.01790 U12 -0.03380 0.34930 0.68140 1.00000 0.02320 U13 0.30470 0.42710 0.72260 1.00000 0.02120 U14 -0.19600 0.35200 0.64000 1.00000 0.02270 U15 0.64450 0.36510 0.68220 1.00000 0.01800 U16 -0.19480 0.33840 0.72280 1.00000 0.02280 Y1 0.55870 0.32240 0.56470 0.66000 0.01040 Ce1 0.55870 0.32240 0.56470 0.01400 0.01040 Nd1 0.55870 0.32240 0.56470 0.07800 0.01040 Sm1 0.55870 0.32240 0.56470 0.06100 0.01040 Eu1 0.55870 0.32240 0.56470 0.01700 0.01040 Gd1 0.55870 0.32240 0.56470 0.06100 0.01040 Tb1 0.55870 0.32240 0.56470 0.01000 0.01040 Dy1 0.55870 0.32240 0.56470 0.07100 0.01040 Er1 0.55870 0.32240 0.56470 0.02000 0.01040 Y2 0.05920 0.43570 0.56440 0.40000 0.02200 Ce2 0.05920 0.43570 0.56440 0.02400 0.02200 Nd2 0.05920 0.43570 0.56440 0.03800 0.02200 Sm2 0.05920 0.43570 0.56440 0.10800 0.02200 Eu2 0.05920 0.43570 0.56440 0.03000 0.02200 Gd2 0.05920 0.43570 0.56440 0.10800 0.02200 Tb2 0.05920 0.43570 0.56440 0.01800 0.02200 Dy2 0.05920 0.43570 0.56440 0.12600 0.02200 Er2 0.05920 0.43570 0.56440 0.03600 0.02200 Y3 0.30970 0.42550 0.81410 0.60000 0.01520 Ce3 0.30970 0.42550 0.81410 0.01600 0.01520 Nd3 0.30970 0.42550 0.81410 0.09200 0.01520 Sm3 0.30970 0.42550 0.81410 0.07200 0.01520 Eu3 0.30970 0.42550 0.81410 0.02000 0.01520 Gd3 0.30970 0.42550 0.81410 0.07200 0.01520 Tb3 0.30970 0.42550 0.81410 0.01200 0.01520 Dy3 0.30970 0.42550 0.81410 0.08400 0.01520 Er3 0.30970 0.42550 0.81410 0.02400 0.01520 Y4 0.55200 0.45350 0.30130 0.50000 0.01860 Ce4 0.55200 0.45350 0.30130 0.02000 0.01860 Nd4 0.55200 0.45350 0.30130 0.11500 0.01860 Sm4 0.55200 0.45350 0.30130 0.09000 0.01860 Eu4 0.55200 0.45350 0.30130 0.02500 0.01860 Gd4 0.55200 0.45350 0.30130 0.09000 0.01860 Tb4 0.55200 0.45350 0.30130 0.01500 0.01860 Dy4 0.55200 0.45350 0.30130 0.10500 0.01860 Er4 0.55200 0.45350 0.30130 0.03000 0.01860 Y5 0.30870 0.31980 0.31470 0.55000 0.01340 Ce5 0.30870 0.31980 0.31470 0.01800 0.01340 Nd5 0.30870 0.31980 0.31470 0.10400 0.01340 Sm5 0.30870 0.31980 0.31470 0.08100 0.01340 Eu5 0.30870 0.31980 0.31470 0.02200 0.01340 Gd5 0.30870 0.31980 0.31470 0.08100 0.01340 Tb5 0.30870 0.31980 0.31470 0.01400 0.01340 Dy5 0.30870 0.31980 0.31470 0.09400 0.01340 Er5 0.30870 0.31980 0.31470 0.02700 0.01340 Y6 -0.19770 0.44010 0.55090 0.51000 0.01720 Ce6 -0.19770 0.44010 0.55090 0.02000 0.01720 Nd6 -0.19770 0.44010 0.55090 0.11300 0.01720 Sm6 -0.19770 0.44010 0.55090 0.08800 0.01720 Eu6 -0.19770 0.44010 0.55090 0.02400 0.01720 Gd6 -0.19770 0.44010 0.55090 0.08800 0.01720 Tb6 -0.19770 0.44010 0.55090 0.01400 0.01720 Dy6 -0.19770 0.44010 0.55090 0.09400 0.01720 Er6 -0.19770 0.44010 0.55090 0.03000 0.01720 Y7 0.05290 0.33220 0.30050 0.45000 0.01810 Ce7 0.05290 0.33220 0.30050 0.02200 0.01810 Nd7 0.05290 0.33220 0.30050 0.12600 0.01810 Sm7 0.05290 0.33220 0.30050 0.09900 0.01810 Eu7 0.05290 0.33220 0.30050 0.02800 0.01810 Gd7 0.05290 0.33220 0.30050 0.09900 0.01810 Tb7 0.05290 0.33220 0.30050 0.01600 0.01810 Dy7 0.05290 0.33220 0.30050 0.11600 0.01810 Er7 0.05290 0.33220 0.30050 0.03300 0.01810 Y8 0.30200 0.32040 0.55100 0.55000 0.01470 Ce8 0.30200 0.32040 0.55100 0.01800 0.01470 Nd8 0.30200 0.32040 0.55100 0.10100 0.01470 Sm8 0.30200 0.32040 0.55100 0.07900 0.01470 Eu8 0.30200 0.32040 0.55100 0.02200 0.01470 Gd8 0.30200 0.32040 0.55100 0.07900 0.01470 Tb8 0.30200 0.32040 0.55100 0.01300 0.01470 Dy8 0.30200 0.32040 0.55100 0.09200 0.01470 Er8 0.30200 0.32040 0.55100 0.02600 0.01470 O1 0.45000 0.28200 0.68290 1.00000 0.00970 O2 0.21720 0.28000 0.43540 1.00000 0.00970 O3 0.71300 0.48600 0.42720 1.00000 0.00970 O4 -0.04600 0.48600 0.68000 1.00000 0.00970 O5 0.67500 0.49210 0.67610 1.00000 0.00970 O6 0.41100 0.50000 0.43160 1.00000 0.00970 O7 -0.10120 0.26400 0.43220 1.00000 0.00970 O8 0.16700 0.27100 0.68770 1.00000 0.00970 O9 0.05300 0.28900 0.46500 1.00000 0.00970 O10 0.32300 0.29000 0.72070 1.00000 0.00970 O11 -0.12400 0.53900 0.43050 1.00000 0.00970 O12 0.12300 0.53900 0.68100 1.00000 0.00970 O13 -0.19600 0.47800 0.72540 1.00000 0.00970 O14 0.55300 0.47800 0.46860 1.00000 0.00970 O15 0.57000 0.48400 0.40030 1.00000 0.00970 O16 0.61900 0.23300 0.68730 1.00000 0.00970 O17 -0.19800 0.49000 0.64720 1.00000 0.00970 O18 0.30000 0.27800 0.65000 1.00000 0.00970 O19 0.35500 0.24100 0.42780 1.00000 0.00970 O20 0.05300 0.27500 0.39500 1.00000 0.00970 O21 -0.01500 0.21400 0.68690 1.00000 0.00970 O22 0.72600 0.21000 0.42860 1.00000 0.00970 O23 0.48200 0.55600 0.68200 1.00000 0.00970 O24 0.23400 0.55200 0.42420 1.00000 0.00970 O25 -0.19800 0.21800 0.62840 1.00000 0.00970 O26 0.56400 0.21700 0.37830 1.00000 0.00970 O27 0.06700 0.52200 0.50130 1.00000 0.00970 O28 0.30800 0.56600 0.72960 1.00000 0.00970 O29 0.04900 0.54800 0.37940 1.00000 0.00970 O30 0.30000 0.54600 0.62660 1.00000 0.00970 O31 0.55000 0.19900 0.47510 1.00000 0.00970 O32 -0.19300 0.19900 0.72800 1.00000 0.00970 O33 -0.07900 0.42200 0.23110 1.00000 0.00970 O34 0.17400 0.44000 0.47930 1.00000 0.00970 O35 -0.32800 0.36600 0.48110 1.00000 0.00970 O36 0.42900 0.33400 0.23120 1.00000 0.00970 O37 0.18700 0.40800 0.73320 1.00000 0.00970 O38 -0.05800 0.43100 0.48120 1.00000 0.00970 O39 -0.13440 0.40200 0.27140 1.00000 0.00970 O40 0.11430 0.42300 0.51870 1.00000 0.00970 O41 -0.38240 0.37600 0.52090 1.00000 0.00970 O42 0.36760 0.37900 0.26930 1.00000 0.00970 O43 0.18900 0.42100 0.63100 1.00000 0.00970 O44 0.18800 0.34700 0.23190 1.00000 0.00970 O45 0.42800 0.37300 0.48360 1.00000 0.00970 O46 0.13180 0.37200 0.59320 1.00000 0.00970 O47 -0.10670 0.34800 0.33820 1.00000 0.00970 O48 0.17500 0.43600 0.37890 1.00000 0.00970 O49 0.00000 0.42800 0.42950 1.00000 0.00970 O50 0.39140 0.42900 0.33720 1.00000 0.00970 O51 0.24200 0.45600 0.68200 1.00000 0.00970 O52 0.66800 0.36500 0.38200 1.00000 0.00970 O53 0.46900 0.41200 0.27220 1.00000 0.00970 O54 -0.28100 0.38700 0.52540 1.00000 0.00970 O55 0.13920 0.38600 0.77690 1.00000 0.00970 O56 -0.11270 0.41300 0.52050 1.00000 0.00970 O57 -0.00440 0.41100 0.52250 1.00000 0.00970 O58 0.24350 0.41800 0.77240 1.00000 0.00970 O59 0.36700 0.43200 0.68270 1.00000 0.00970 O60 -0.00440 0.37900 0.34570 1.00000 0.00970 O61 -0.25600 0.31500 0.68000 1.00000 0.00970 O62 0.49500 0.33600 0.43300 1.00000 0.00970 O63 0.61300 0.32400 0.43300 1.00000 0.00970 O64 -0.13400 0.32500 0.68000 1.00000 0.00970 O65 0.71660 0.42300 0.33820 1.00000 0.00970 O66 0.49900 0.34800 0.52130 1.00000 0.00970 O67 0.24330 0.38800 0.27340 1.00000 0.00970 O68 0.37160 0.35900 0.59090 1.00000 0.00970 O69 0.39360 0.36800 0.52770 1.00000 0.00970 O70 0.21700 0.41200 0.52450 1.00000 0.00970 O71 0.14760 0.35300 0.27950 1.00000 0.00970 O72 0.24410 0.37700 0.59390 1.00000 0.00970 O73 -0.02840 0.39300 0.27370 1.00000 0.00970 O74 0.11270 0.36100 0.34640 1.00000 0.00970 O75 0.61540 0.40100 0.34360 1.00000 0.00970 O76 0.21580 0.35400 0.33830 1.00000 0.00970 O77 0.43900 0.38800 0.38190 1.00000 0.00970 O78 0.49570 0.42100 0.34380 1.00000 0.00970 O79 0.11700 0.47500 0.42920 1.00000 0.00970 O80 -0.07100 0.40500 0.38250 1.00000 0.00970 O81 0.47130 0.39100 0.59160 1.00000 0.00970 O82 0.42300 0.40900 0.63200 1.00000 0.00970 O83 0.68900 0.35300 0.63110 1.00000 0.00970 O84 -0.08000 0.33800 0.62980 1.00000 0.00970 O85 0.74420 0.39400 0.59450 1.00000 0.00970 O86 -0.13540 0.38100 0.59320 1.00000 0.00970 O87 0.63810 0.40700 0.58790 1.00000 0.00970 O88 -0.02710 0.41400 0.59270 1.00000 0.00970 O-H1 0.55700 0.40800 0.65060 1.00000 0.00970 O-H2 0.31000 0.41000 0.40030 1.00000 0.00970 O-H3 0.04600 0.37000 0.65200 1.00000 0.00970 O-H4 0.80200 0.36900 0.46330 1.00000 0.00970 O-H5 0.06100 0.34300 0.71220 1.00000 0.00970 O-H6 0.80600 0.38600 0.40000 1.00000 0.00970 O-H7 0.55200 0.38400 0.71300 1.00000 0.00970 O-H8 0.30300 0.39500 0.46300 1.00000 0.00970 Wat1 0.31300 0.23000 0.36110 1.00000 0.00110 Wat2 0.54500 0.52000 0.56120 1.00000 0.00110 Wat3 0.28900 0.24300 0.81380 1.00000 0.00110 Wat4 0.04300 0.26100 0.56480 1.00000 0.00110 Wat5 0.30700 0.50100 0.55110 1.00000 0.00110 Wat6 0.64300 0.19600 0.55470 1.00000 0.00110 Wat7 0.13300 0.58700 0.56330 1.00000 0.00110 Wat8 0.39200 0.54500 0.81090 1.00000 0.00110 Wat9 0.41000 0.20000 0.31760 1.00000 0.00110 Wat10 -0.20400 0.53000 0.50140 1.00000 0.00110 Wat11 0.54800 0.56600 0.25400 1.00000 0.00110 Wat12 0.29900 0.21300 0.50560 1.00000 0.00110 Wat13 0.23000 0.18900 0.56480 1.00000 0.00110 Wat14 -0.26900 0.58900 0.55800 1.00000 0.00110 Wat15 0.46600 0.56200 0.30650 1.00000 0.00110 Wat16 0.62000 0.60500 0.31180 1.00000 0.00110 Wat17 0.11800 0.18400 0.31230 1.00000 0.00110 Wat18 0.35700 0.17100 0.56720 1.00000 0.00110 Wat19 0.05700 0.51500 0.30290 1.00000 0.00110 Wat20 0.25400 0.60200 0.80010 1.00000 0.00110 Wat21 -0.00900 0.60900 0.56080 1.00000 0.00110 Wat22 0.26600 0.15700 0.29900 1.00000 0.00110 Wat23 0.50700 0.18000 0.56000 1.00000 0.00110 Wat24 0.43600 0.75700 0.69790 1.00000 0.00110 Wat25 0.56300 0.23100 0.61140 1.00000 0.00110 Wat26 0.07600 0.14500 0.62630 1.00000 0.00110 Wat27 0.83300 0.17400 0.36820 1.00000 0.00110 Wat28 0.57400 0.06400 0.43490 1.00000 0.00110 Wat29 -0.31000 0.09500 0.62990 1.00000 0.00110 Wat30 -0.17500 0.09500 0.67830 1.00000 0.00110 Wat31 0.57700 0.59500 0.62790 1.00000 0.00110 Wat32 -0.08100 0.18400 0.58110 1.00000 0.00110 Wat33 0.15100 0.19300 0.82420 1.00000 0.00110 Wat34 0.45800 0.68200 0.74880 1.00000 0.00110 Wat35 0.17800 0.65700 0.50890 1.00000 0.00110 Wat36 0.69500 0.10700 0.51110 1.00000 0.00110 Wat37 0.56700 0.56700 0.74040 1.00000 0.00110 Wat38 0.35100 0.15000 0.76350 1.00000 0.00110 Wat39 0.08500 0.13700 0.50860 1.00000 0.00110 C1 0.16960 0.41600 0.50700 1.00000 0.01430 C2 0.19120 0.36600 0.26000 1.00000 0.01430 C3 0.44310 0.36600 0.51130 1.00000 0.01430 C4 0.18740 0.38900 0.60380 1.00000 0.01430 C5 0.18680 0.41700 0.76180 1.00000 0.01430 C6 -0.07940 0.41400 0.25980 1.00000 0.01430 C7 0.67130 0.38700 0.35410 1.00000 0.01430 C8 0.16950 0.38300 0.35450 1.00000 0.01430 C9 0.43950 0.42100 0.35460 1.00000 0.01430 C10 0.42350 0.37100 0.25800 1.00000 0.01430 C11 -0.32910 0.39600 0.50850 1.00000 0.01430 C12 -0.06230 0.38500 0.35460 1.00000 0.01430 C13 -0.05770 0.40400 0.50890 1.00000 0.01430 C14 0.42280 0.36300 0.60650 1.00000 0.01430 C15 0.68680 0.38600 0.60390 1.00000 0.01430 C16 -0.07920 0.38200 0.60400 1.00000 0.01430 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 U1 0.00610 0.03060 0.01620 -0.00680 0.00280 0.00200 U2 0.02110 0.02810 0.01290 -0.00490 -0.00660 0.00440 U3 0.00840 0.04670 0.01320 -0.00150 -0.00070 -0.00210 U4 0.01510 0.02620 0.01650 -0.00510 -0.00470 0.00550 U5 0.01240 0.02510 0.01600 -0.00360 -0.00270 0.00350 U6 0.01400 0.02070 0.01640 -0.00230 -0.00360 0.00340 U7 0.01410 0.04270 0.01230 0.00090 -0.00340 -0.00280 U8 0.01490 0.03530 0.01290 -0.00220 -0.00430 -0.00310 U9 0.01070 0.02400 0.01480 -0.00500 -0.00050 -0.00270 U10 0.01180 0.03130 0.01240 0.00190 0.00350 -0.00160 U11 0.00820 0.03310 0.01240 -0.00210 0.00570 -0.00040 U12 0.01000 0.04690 0.01280 0.00070 0.00100 0.00410 U13 0.00990 0.04500 0.00870 -0.00100 0.00170 -0.00820 U14 0.00930 0.04790 0.01110 -0.00270 0.00400 0.00170 U15 0.00910 0.03370 0.01120 0.00200 0.00130 -0.00330 U16 0.00640 0.05370 0.00820 -0.00110 0.00590 -0.00060