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Fontanite |
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Hughes K-A, Burns P C |
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American Mineralogist 88 (2003) 962-966 |
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A new uranyl carbonate sheet in the crystal structure of fontanite, |
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Ca[(UO2)3(CO3)2O2](H2O)6 |
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_database_code_amcsd 0003131 |
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6.968 17.276 15.377 90 90.064 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U(1) .5267 .2371 .8372 .025 .011 .044 .020 -.002 -.003 .002 |
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U(2) .0267 .2843 .7301 .024 .011 .036 .024 -.001 -.002 .002 |
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U(3) .0257 .1952 .9483 .024 .010 .043 .019 -.001 -.003 .002 |
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Ca(1) .9410 .5174 .7848 .043 .037 .052 .039 -.001 .000 .003 |
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C(1) .5320 .3175 .6656 .001 |
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C(2) .5270 .1688 .0150 .006 |
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O(1) .0230 .2880 .9900 .049 |
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O(2) .0400 .3509 .5966 .015 |
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O(3) .5130 .1440 .7900 .049 |
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Wat(4) -.0880 .4550 .9350 .059 |
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O(5) .0130 .3746 .7780 .054 |
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O(6) -.3160 .1764 .9690 .036 |
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O(7) .8440 .2340 .8330 .037 |
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O(8) .0280 .1451 .0940 .035 |
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O(9) .6840 .2920 .7004 .030 |
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O(10) .3700 .3022 .7074 .032 |
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O(11) .2070 .2380 .8348 .029 |
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O(12) .5410 .3314 .8904 .036 |
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O(13) .3710 .1867 .9776 .021 |
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O(14) .0360 .0993 .9098 .030 |
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Wat(15) .7860 .6070 .8880 .041 |
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Wat(16) .2390 .4930 .6900 .055 |
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Wat(17) .2030 .5710 .8690 .062 |
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Wat(18) .8080 .4980 .6390 .052 |
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Wat(19) .5900 .4760 .7980 .082 |
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O(20) .0380 .1998 .6699 .033 |
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Studtite |
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Burns P C, Hughes K-A |
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American Mineralogist 88 (2003) 1165-1168 |
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Studtite, [(UO2)(O2)(H2O)2](H2O)2: The first structure of a peroxide mineral |
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_database_code_amcsd 0003153 |
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14.068 6.721 8.428 90 123.356 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U1 0 0 0 .0193 .0221 .0241 .0157 -.0001 .0130 -.0005 |
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O1 .0073 -.249 .074 .031 .045 .027 .028 .000 .025 -.002 |
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O2 .0623 .114 .3081 .028 .032 .029 .029 -.009 .021 -.008 |
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O3 .2026 .038 .179 .039 .029 .061 .024 .001 .012 -.006 |
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O4 -.1565 -.524 .061 .031 .030 .029 .038 -.006 .020 -.006 |
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H1 .255 .03 .317 .03 |
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H2 .242 -.06 .15 .03 |
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H3 -.102 -.44 .06 .03 |
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H4 -.131 -.662 .08 .03 |
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Ca[(UO2)4O3(OH)4](H2O)2 |
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Glatz R E, Li Y, Hughes K-A, Cahill C L, Burns P C |
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The Canadian Mineralogist 40 (2002) 217-224 |
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Synthesis and structure of a new Ca uranyl oxide hydrate, |
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Ca[(UO2)4O3(OH)4](H2O)2, and its relationship to becquerelite |
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_database_code_amcsd 0005768 |
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8.0556 8.4212 10.958 78.878 87.922 72.277 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U(1) .44695 .40453 .85968 .0125 .0137 .0103 .0131 -.0034 -.0001 -.0016 |
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U(2) .46623 -.05465 .84821 .0118 .0128 .0108 .0120 -.0040 .0003 -.0019 |
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U(3) .16021 .30513 .57354 .0137 .0141 .0145 .0130 -.0058 .0005 -.0016 |
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U(4) .17971 -.19134 .57226 .0128 .0143 .0103 .0139 -.0038 .0005 -.0024 |
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Ca(1) -.0729 .0618 .8156 .0260 .015 .016 .048 -.005 .004 -.009 |
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O(1) .083 .584 .5531 .019 .030 .010 .018 -.011 .000 -.001 |
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O(2) .420 .157 .9551 .017 .027 .011 .011 -.005 -.003 -.001 |
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O(3) .032 .289 .7168 .019 .019 .026 .011 -.007 .004 .001 |
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O(4) .689 -.061 .8039 .018 .017 .017 .017 -.006 .000 .000 |
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O(5) .078 .096 .536 .029 .022 .012 .052 -.002 -.010 -.005 |
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O(6) .243 -.048 .8834 .021 .021 .013 .030 -.008 -.003 -.002 |
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O(7) .292 -.197 .4251 .020 .032 .023 .009 -.013 .006 -.005 |
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O(8) .680 .301 .8412 .019 .017 .015 .021 -.001 -.004 -.002 |
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O(9) .061 -.177 .7201 .023 .028 .023 .022 -.012 .011 -.009 |
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O(10) .222 .505 .8825 .024 .024 .017 .026 -.001 .003 -.002 |
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O(11) .309 .304 .4440 .026 .009 .039 .025 -.004 .001 -.002 |
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OH(1) .535 .6332 .9090 .014 .024 .008 .010 -.007 .000 .002 |
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OH(2) .405 .2309 .7105 .014 .018 .014 .012 -.010 -.010 -.001 |
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OH(3) .416 .5744 .6674 .018 .015 .012 .018 .001 .001 .009 |
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OH(4) .395 -.078 .6497 .025 .026 .032 .020 -.011 .004 -.010 |
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Wat(1) -.019 -.186 .9958 .027 .025 .039 .021 -.013 .002 -.009 |
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Wat(2) .854 -.427 .828 .031 .027 .030 .036 -.006 .005 -.009 |
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Uranosphaerite |
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Hughes K-A, Burns P C, Kolitsch U |
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The Canadian Mineralogist 41 (2003) 677-685 |
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Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH |
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Note: natural sample |
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Locality: Clara barite and fluorite mine, Black Forest, Germany |
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_database_code_amcsd 0005845 |
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7.559 7.811 7.693 90 92.88 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U .15866 .99182 .31567 .0135 .0139 .0169 .0100 .000 .0050 -.0002 |
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Bi .11052 .60575 .66482 .0162 .0164 .0197 .0129 .0004 .0036 .0001 |
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O1 .177 .6024 .0500 .025 .027 .029 .019 .001 .001 -.001 |
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O2 -.0077 .8842 .1786 .026 .019 .037 .021 -.002 .002 -.011 |
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O3 .0710 .8511 .5586 .023 .028 .021 .020 .008 .014 .007 |
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O4 -.1460 .5069 .5907 .019 .014 .022 .022 -.004 .008 -.008 |
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OH5 -.1196 .7422 .8413 .017 .023 .016 .011 .001 .005 .001 |
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Uranosphaerite |
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Hughes K-A, Burns P C, Kolitsch U |
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The Canadian Mineralogist 41 (2003) 677-685 |
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Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH |
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Note: synthetic sample |
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_database_code_amcsd 0005846 |
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7.540 7.801 7.674 90 92.948 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U .15796 -.00914 .31531 .0215 .0211 .0234 .0204 -.0003 .0052 -.0002 |
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Bi .10974 .60517 .66556 .0231 .0228 .0245 .0223 .0004 .0045 .0004 |
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O(1) .184 .603 .050 .032 .034 .039 .025 .005 .001 .007 |
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O(2) -.008 .883 .179 .032 .029 .040 .028 .004 .001 -.004 |
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O(3) .070 .850 .563 .027 .029 .020 .032 .001 .014 .005 |
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O(4) -.150 .507 .590 .030 .026 .038 .028 -.013 .009 -.011 |
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OH(5) -.119 .741 .840 .026 .031 .029 .018 -.002 .004 .000 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
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