data_global _chemical_name_mineral 'Paddlewheelite' loop_ _publ_author_name 'Olds T A' 'Plasil J' 'Kampf A R' 'Dal Bo F' 'Burns P C' _journal_name_full 'Minerals' _journal_volume 8 _journal_year 2018 _journal_page_first _journal_page_last 511 _publ_section_title ; Paddlewheelite, a new uranyl carbonate from the Jachymov District, Bohemia, Czech Republic ; _database_code_amcsd 0020964 _chemical_compound_source 'Jachymov District, Bohemia, Czech Republic' _chemical_formula_sum 'Mg2 Ca10 Cu4 U8 C24 O154.25' _cell_length_a 22.052 _cell_length_b 17.118 _cell_length_c 19.354 _cell_angle_alpha 90 _cell_angle_beta 90.474 _cell_angle_gamma 90 _cell_volume 7305.617 _exptl_crystal_density_diffrn 2.438 _symmetry_space_group_name_H-M 'P 1 b 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '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 Mg2 0.56020 -0.27680 0.29310 1.00000 0.01500 Mg1 0.94560 0.77730 0.80010 1.00000 0.02200 Ca1 0.49890 0.74950 0.80470 1.00000 0.01510 Ca2 0.00680 0.25080 0.80740 1.00000 0.01120 Ca3 0.03510 -0.07250 0.58610 1.00000 0.04200 Ca4 0.01110 0.42970 0.52800 1.00000 0.04000 Ca5 0.50880 -0.07170 0.52330 1.00000 0.03100 Ca6 0.47960 0.42930 0.58310 1.00000 0.02600 Ca7 0.74150 -0.03990 0.36030 1.00000 0.03500 Ca8 0.76620 0.54110 0.86670 1.00000 0.03800 Ca9 0.27890 -0.07070 0.38390 1.00000 0.02900 Ca10 0.22520 0.56070 0.85030 1.00000 0.05700 Cu1 0.49490 0.55290 0.87270 1.00000 0.01460 Cu2 0.01230 -0.05340 0.37530 1.00000 0.01390 Cu3 0.99920 0.44620 0.73910 1.00000 0.01620 Cu4 0.50290 0.05310 0.23670 1.00000 0.01750 U1 0.68153 0.73822 0.80002 1.00000 0.02770 U2 0.00180 -0.34143 0.50185 1.00000 0.02010 U3 0.49882 0.34218 0.10900 1.00000 0.02430 U4 0.01776 0.15786 0.61252 1.00000 0.02670 U5 0.50127 -0.15833 0.99888 1.00000 0.02230 U6 0.82387 -0.23572 0.29408 1.00000 0.02640 U7 0.19072 -0.26464 0.31566 1.00000 0.02430 U8 0.31450 0.75641 0.79086 1.00000 0.03960 C1 0.37900 0.62400 0.84400 1.00000 0.04200 C2 0.18600 0.74200 0.77100 1.00000 0.06200 C3 0.89200 -0.10800 0.35000 1.00000 0.04900 C4 0.01260 -0.05500 0.23300 1.00000 0.01800 C5 0.12900 -0.12500 0.35330 1.00000 0.01700 C6 0.69260 -0.22500 0.28500 1.00000 0.02300 C7 0.61550 0.61300 0.85400 1.00000 0.02200 C8 0.49930 0.55500 0.72400 1.00000 0.02000 C9 0.01320 0.32000 0.63530 1.00000 0.01400 C10 0.80970 0.72500 0.79900 1.00000 0.03000 C11 0.00110 0.59500 0.63700 1.00000 0.01900 C12 0.49750 0.17900 0.13860 1.00000 0.01700 C13 0.50520 -0.09300 0.13610 1.00000 0.01200 C14 0.00900 -0.17900 0.47900 1.00000 0.04800 C15 0.49240 0.67600 0.97200 1.00000 0.02300 C16 0.88400 0.37600 0.74400 1.00000 0.03000 C17 0.61770 0.12500 0.25740 1.00000 0.01300 C18 0.99020 0.44400 0.88510 1.00000 0.01300 C19 0.49290 0.41000 0.97200 1.00000 0.01300 C20 0.51000 0.05800 0.37920 1.00000 0.01100 C21 0.02360 0.09100 0.47500 1.00000 0.02800 C22 0.12170 0.39400 0.77000 1.00000 0.03200 C23 0.38600 0.11000 0.25300 1.00000 0.03800 C24 0.32000 -0.25300 0.30700 1.00000 0.04600 O1 0.31940 0.71430 0.70620 1.00000 0.04600 O2 0.59270 0.06290 0.23370 1.00000 0.02800 O3 0.99190 0.46950 0.94760 1.00000 0.02000 O4 0.01000 0.39410 0.64870 1.00000 0.01100 O5 0.49580 0.10480 0.14700 1.00000 0.01800 O6 0.93620 0.15330 0.60910 1.00000 0.04100 O7 0.51190 0.03150 0.44610 1.00000 0.03000 O8 0.68460 0.78180 0.88740 1.00000 0.04000 O9 0.99880 0.36790 0.87870 1.00000 0.02000 O10 0.01490 -0.20420 0.53910 1.00000 0.02100 O11 0.10060 -0.06170 0.36860 1.00000 0.02700 O12 0.67830 0.12940 0.25260 1.00000 0.03600 O13 0.49270 0.70350 0.03680 1.00000 0.02600 O14 0.18900 -0.30220 0.40100 1.00000 0.02800 O15 0.49640 0.33410 0.98530 1.00000 0.02400 O16 0.99720 0.56740 0.69840 1.00000 0.02100 O17 0.49760 0.22790 0.18500 1.00000 0.03100 O18 0.57820 0.34490 0.10870 1.00000 0.03500 O19 0.67310 0.60910 0.84780 1.00000 0.03100 O20 0.41940 0.34010 0.11130 1.00000 0.04500 O21 0.19410 -0.22890 0.23210 1.00000 0.04000 O22 0.50740 -0.06880 0.19510 1.00000 0.01600 O23 0.50920 0.01130 0.33050 1.00000 0.01900 O24 0.08630 0.45270 0.75220 1.00000 0.01400 O25 0.09640 0.32620 0.78160 1.00000 0.02800 O26 0.47560 -0.33100 0.30800 1.00000 0.02600 O27 0.00030 -0.22860 0.42820 1.00000 0.02200 O28 0.50510 -0.05280 0.08150 1.00000 0.02300 O29 0.98840 0.66930 0.80070 1.00000 0.02000 O30 0.58200 0.55180 0.87810 1.00000 0.02900 O31 0.10000 -0.18810 0.33180 1.00000 0.03200 O32 0.50230 0.13160 0.37690 1.00000 0.03300 O33 0.78240 0.78750 0.77530 1.00000 0.02300 O34 0.49970 0.51010 0.77880 1.00000 0.02600 O35 0.59180 0.18540 0.27780 1.00000 0.02600 O36 0.48680 0.43430 0.91370 1.00000 0.01600 O37 0.02050 0.04950 0.53350 1.00000 0.02900 O38 0.98720 0.48840 0.83480 1.00000 0.02000 O39 0.18600 -0.12920 0.35860 1.00000 0.03300 O40 0.91230 0.89040 0.79340 1.00000 0.04400 O41 0.92260 -0.33160 0.50480 1.00000 0.03300 O42 0.49540 0.72890 0.92460 1.00000 0.01900 O43 0.63840 -0.21330 0.28370 1.00000 0.02900 O44 0.82730 0.36480 0.74350 1.00000 0.02500 O45 0.55080 -0.27940 0.18850 1.00000 0.02500 O46 0.91950 -0.16880 0.32350 1.00000 0.03700 O47 0.02480 0.06380 0.41800 1.00000 0.02100 O48 0.58640 0.41430 0.60130 1.00000 0.05200 O49 0.40960 0.17470 0.27260 1.00000 0.02800 O50 0.91460 0.31260 0.76820 1.00000 0.03200 O51 0.33700 0.04320 0.41620 1.00000 0.03300 O52 0.50080 0.62970 0.73360 1.00000 0.03500 O53 0.18090 0.39770 0.77700 1.00000 0.02900 O54 0.21800 0.69100 0.80220 1.00000 0.03200 O55 0.01010 0.27050 0.68890 1.00000 0.03200 O56 0.93760 0.76950 0.90810 1.00000 0.03400 O57 0.01250 -0.10390 0.46720 1.00000 0.02600 O58 0.40620 0.68520 0.82330 1.00000 0.03000 O59 0.37800 -0.23300 0.13700 0.50000 0.06000 O60 0.41340 0.04830 0.24230 1.00000 0.02700 O61 0.57480 -0.27220 0.40090 1.00000 0.01900 O62 0.01630 -0.13100 0.23780 1.00000 0.03300 O63 0.58640 0.67330 0.82850 1.00000 0.02200 O64 0.73280 -0.16730 0.30810 1.00000 0.03300 O65 0.00880 -0.01050 0.28440 1.00000 0.02600 O66 0.99280 0.55100 0.58170 1.00000 0.01900 O67 0.83620 -0.10560 0.34900 1.00000 0.03200 O68 0.49010 0.44900 0.02820 1.00000 0.01600 O69 0.03090 0.82960 0.81600 1.00000 0.03600 O70 0.49630 -0.16830 0.12380 1.00000 0.02500 O71 0.72360 -0.28500 0.26260 1.00000 0.02200 O72 0.49120 0.60560 0.96300 1.00000 0.02400 O73 0.68790 0.06070 0.42430 1.00000 0.06000 O74 0.28620 -0.19860 0.33910 1.00000 0.04200 O75 0.77540 0.67300 0.81920 1.00000 0.02300 O76 0.02260 0.16730 0.48770 1.00000 0.02400 O77 0.91270 0.43370 0.72980 1.00000 0.01400 O78 0.50190 0.20300 0.07440 1.00000 0.02600 O79 0.40330 -0.03670 0.52980 1.00000 0.03000 O80 0.95160 0.77730 0.69420 1.00000 0.03700 O81 0.42130 -0.14970 0.99590 1.00000 0.02900 O82 0.30690 0.79100 0.86830 1.00000 0.06000 O83 0.00870 0.66800 0.62360 1.00000 0.01900 O84 0.17400 0.47290 0.92830 1.00000 0.04900 O85 0.57950 -0.16650 0.00390 1.00000 0.02900 O86 0.01840 0.29550 0.57700 1.00000 0.02400 O87 0.21770 0.81000 0.75290 1.00000 0.06900 O88 0.42690 0.38340 0.68190 1.00000 0.03800 O89 0.37520 -0.24290 0.29990 1.00000 0.03800 O90 0.59180 -0.12030 0.45340 1.00000 0.05500 O91 0.12800 0.73300 0.75400 1.00000 0.08800 O92 0.92300 -0.05180 0.37630 1.00000 0.02700 O93 0.51300 -0.17240 0.29710 1.00000 0.03300 O94 0.32660 0.11380 0.24390 1.00000 0.02500 O95 0.40560 0.55780 0.86270 1.00000 0.02900 O96 0.09830 0.16070 0.61740 1.00000 0.02900 O97 0.66780 -0.22600 0.57400 1.00000 0.09800 O98 0.08090 0.86970 0.68520 1.00000 0.04000 O99 0.49970 0.52940 0.66550 1.00000 0.02200 O100 0.46000 -0.15100 0.43130 1.00000 0.03600 O101 0.37500 0.43400 0.54800 1.00000 0.09600 O102 0.65730 0.52400 0.67400 1.00000 0.09100 O103 0.87430 0.57430 0.86340 1.00000 0.06300 O104 0.37930 -0.08660 0.33250 1.00000 0.02700 O105 0.59380 -0.39150 0.28760 1.00000 0.03900 O106 0.65430 0.31800 0.51400 1.00000 0.07000 O107 0.11930 0.58830 0.81990 1.00000 0.04100 O108 0.01830 -0.02990 0.16980 1.00000 0.02600 O109 0.93000 0.09120 0.10730 1.00000 0.04500 O110 0.85360 0.18300 0.01920 1.00000 0.06100 O111 0.91270 0.60700 0.00140 1.00000 0.06500 O112 0.81820 -0.27780 0.37920 1.00000 0.04100 O113 0.67800 0.69640 0.71580 1.00000 0.03400 O114 0.63670 -0.05870 0.32940 1.00000 0.05200 O115 0.73140 -0.10700 0.46400 1.00000 0.08900 O116 0.86000 -0.02700 0.18000 1.00000 0.11200 O117 0.86630 0.71720 0.79850 1.00000 0.03700 O118 0.29160 -0.31730 0.29320 1.00000 0.03200 O119 0.36090 -0.04800 0.14110 1.00000 0.06500 O120 0.76180 0.61000 0.97200 1.00000 0.09300 O121 0.32050 0.62730 0.84600 1.00000 0.03400 O122 0.11660 0.46660 0.55120 1.00000 0.05400 O123 0.08030 -0.34970 0.50190 1.00000 0.02700 O124 0.65600 -0.09100 0.16400 0.30000 0.03000 O125 0.30310 -0.13400 0.49470 1.00000 0.06300 O126 0.13600 -0.07300 0.55200 1.00000 0.11000 O127 0.81850 0.43880 0.92620 1.00000 0.05700 O128 0.22720 0.63600 0.95400 1.00000 0.07500 O129 0.68850 -0.31600 0.44800 1.00000 0.08500 O130 0.35250 0.53500 0.69080 1.00000 0.07300 O131 0.30440 0.45840 0.86500 1.00000 0.05100 O132 0.23940 0.53400 0.72990 1.00000 0.06400 O133 0.25490 -0.00250 0.28210 1.00000 0.05300 O134 0.68000 -0.48700 0.44700 0.70000 0.09000 O135 0.85100 0.72700 0.07100 0.80000 0.10000 O136 0.61080 -0.06800 0.58600 1.00000 0.09100 O137 0.36500 -0.27000 0.48100 1.00000 0.10800 O138 0.74870 0.00200 0.23600 1.00000 0.09700 O139 0.20420 0.00200 0.45290 1.00000 0.06100 O140 0.82000 0.97900 0.93000 0.50000 0.07000 O141 0.13900 0.23100 0.41800 0.50000 0.10000 O142 0.05820 0.36350 0.43440 1.00000 0.04500 O143 0.14450 0.59300 0.64100 1.00000 0.09700 O144 0.33400 0.71200 0.00700 0.75000 0.09300 O145 0.15100 0.90100 0.87000 0.50000 0.06000 O146 0.82770 -0.19260 0.21130 1.00000 0.04700 O147 0.82400 0.80700 0.95300 1.00000 0.11600 O148 0.31300 -0.42000 0.50100 0.75000 0.08900 O149 0.86300 0.41300 0.17500 0.75000 0.09000 O150 0.72300 0.54300 0.28300 0.50000 0.04200 O151 0.83600 0.48300 0.04500 0.30000 0.03000 O152 0.71900 0.25500 0.62000 0.50000 0.09000 O153 0.20800 -0.30000 0.54900 0.50000 0.04200 O154 0.22700 -0.16400 0.60100 0.50000 0.02900 O155 0.80700 0.92900 0.85800 0.50000 0.04600 O156 0.80500 0.25700 0.13100 0.50000 0.09000 O157 0.17400 0.32600 0.59400 0.50000 0.08000 O158 0.70400 -0.42200 0.34900 0.50000 0.08000 O159 0.16200 0.02800 0.69500 0.50000 0.05500 O160 0.28400 0.36700 0.66100 0.50000 0.06000 O161 0.67300 0.05800 0.55400 0.25000 0.02000 O162 0.76700 0.49700 0.24800 0.50000 0.03000 O163 0.85000 0.45700 0.07500 0.50000 0.08000 O164 0.26100 0.15700 0.61700 0.20000 0.04000 O165 0.24500 0.09700 0.70700 0.20000 0.04000 O166 0.21400 0.14600 0.49100 0.50000 0.12000 O167 0.81100 0.45800 0.24300 0.50000 0.10000 O168 0.31700 0.33400 0.66600 0.25000 0.03000 O169 0.23400 0.07000 0.59100 0.25000 0.05000 O170 0.14700 0.23600 0.47000 0.50000 0.07000 O171 0.77500 0.19000 0.12800 0.25000 0.02000 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 Mg2 0.02400 0.00300 0.02000 0.00500 0.00200 0.00000 Mg1 0.03300 0.00700 0.02600 0.00400 0.00600 -0.00600 Ca1 0.01800 0.00600 0.02200 0.00100 0.00300 -0.00100 Ca2 0.01900 0.00600 0.00900 0.00200 -0.00400 -0.00200 Ca3 0.09700 0.00700 0.02300 -0.00100 -0.00900 -0.00100 Ca4 0.10000 0.00900 0.01100 0.00600 0.00400 -0.00300 Ca5 0.06800 0.00700 0.01800 -0.00200 0.00200 0.00200 Ca6 0.04900 0.00500 0.02300 -0.00400 0.00000 -0.00400 Ca7 0.03000 0.01800 0.05700 0.00200 0.00900 -0.00500 Ca8 0.03400 0.01200 0.06700 0.00300 -0.01800 0.00000 Ca9 0.03000 0.01300 0.04400 -0.00500 -0.00400 -0.00400 Ca10 0.02300 0.02300 0.12700 -0.00100 0.00900 0.02500 Cu1 0.02900 0.00200 0.01300 0.00000 0.00200 -0.00030 Cu2 0.02600 0.00700 0.00900 -0.00080 -0.00200 0.00000 Cu3 0.02600 0.00300 0.02000 0.00030 -0.00100 -0.00110 Cu4 0.02800 0.00400 0.02000 -0.00100 -0.00200 0.00100 U1 0.01980 0.01150 0.05180 0.00150 -0.00070 0.00350 U2 0.04290 0.00410 0.01340 -0.00090 0.00320 0.00040 U3 0.05490 0.00490 0.01310 0.00220 -0.00050 0.00000 U4 0.06380 0.00560 0.01080 0.00510 -0.00390 -0.00070 U5 0.05050 0.00280 0.01370 0.00080 0.00100 -0.00070 U6 0.02090 0.01300 0.04530 0.00070 -0.00140 -0.00120 U7 0.02100 0.01900 0.03300 -0.00260 -0.00140 -0.00090 U8 0.01800 0.00990 0.09080 0.00020 0.00020 0.00810