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Autunite |
 |
Locock A J, Burns P C |
 |
American Mineralogist 88 (2003) 240-244 |
|
The crystal structure of synthetic autunite, Ca[(UO2)(PO4)]2(H2O)11 |
|
_database_code_amcsd 0002977 |
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14.0135 20.7121 6.9959 90 90 90 Pnma |
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atom x y z occ Uiso |
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U1 .1250 .5412 .7498 .012 |
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P1 .1245 .5003 .2478 .013 |
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Ca1 .1251 .7500 .4501 .860 .029 |
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O1 .1235 .4551 .7482 .026 |
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O2 .1250 .6278 .7472 .021 |
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O3 .1252 .5440 .0733 .029 |
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O4 .0373 .4560 .2451 .028 |
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O5 .2118 .4557 .2553 .032 |
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O6 .1206 .5452 .4226 .023 |
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O7 .7591 .2500 .2851 .041 |
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O8 .2368 .6647 .3510 .072 |
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O9 .0126 .6645 .3438 .063 |
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O10 .0002 .2500 .2833 .055 |
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O11 .1263 .7500 .0757 .039 |
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O12 .3257 .6614 -.0255 .062 |
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O13 .0759 .3379 .0243 .057 |
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H1 .7260 .2830 .2220 .050 |
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H2 .1970 .6330 .4120 .050 |
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H3 .2210 .6540 .2150 .050 |
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H4 .0330 .6191 .3350 .050 |
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H5 .0080 .6650 .2010 .050 |
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H6 .0370 .2851 .2330 .050 |
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H7 .1300 .7056 .0440 .050 |
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H8 .2720 .6740 .0580 .050 |
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H9 .3972 .6550 -.0270 .050 |
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H10 .0680 .3819 .0750 .050 |
|
H11 .1483 .3360 .0220 .050 |
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Hallimondite |
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Locock A J, Burns P C, Flynn T M |
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American Mineralogist 90 (2005) 240-246 |
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The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n |
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and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5 |
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_database_code_amcsd 0003720 |
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7.1153 10.4780 6.8571 101.178 95.711 86.651 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U1 .6186 .8400 .0988 .010 .016 .007 .008 .001 .003 .001 |
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Pb1 .3090 .5416 .2785 .016 .018 .019 .012 -.001 .003 .002 |
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Pb2 .0451 .7776 .7170 .018 .021 .012 .022 .001 .006 .000 |
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As1 .5365 .8167 .6206 .009 .013 .007 .007 .000 .002 .000 |
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As2 .8238 .5494 .2763 .010 .011 .009 .009 .001 .001 .002 |
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O1 .0022 .6340 .4155 .018 .012 .022 .018 -.005 -.002 .000 |
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O2 .3486 .4738 .5851 .014 .013 .019 .013 .000 .005 .007 |
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O3 .3859 .7840 .0731 .021 .019 .025 .019 -.004 .002 .005 |
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O4 .6811 .7288 .7623 .015 .022 .015 .007 .003 .000 .002 |
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O5 .7149 .6298 .1057 .020 .034 .011 .013 .006 -.001 .004 |
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O6 .3323 .7477 .5346 .017 .014 .017 .017 -.004 .002 -.003 |
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O7 .5018 .0540 .1927 .019 .040 .009 .008 .008 .002 .001 |
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O8 .8504 .8978 .1144 .021 .022 .022 .021 -.009 .005 .002 |
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O9 .6524 .8562 .4429 .019 .022 .023 .013 -.002 .004 .005 |
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O10 .9230 .4099 .1582 .021 .029 .014 .019 .009 .009 .002 |
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Wat11 .0500 .9720 .4740 .29 .073 |
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Parsonsite |
|
Locock A J, Burns P C, Flynn T M |
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American Mineralogist 90 (2005) 240-246 |
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The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n |
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and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5 |
|
_database_code_amcsd 0003721 |
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6.8432 10.4105 6.6718 101.418 98.347 86.264 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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U1 .6163 .8401 .1140 .012 .016 .008 .011 .000 .003 .002 |
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Pb1 .3010 .5450 .2703 .017 .018 .019 .014 -.001 .003 .003 |
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Pb2 .0457 .7735 .7226 .017 .019 .011 .020 .000 .004 .000 |
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P1 .5348 .8178 .6329 .011 .014 .008 .010 .001 .002 .001 |
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P2 .8156 .5490 .2778 .011 .012 .009 .012 .001 .001 .002 |
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O1 .9827 .6338 .4061 .016 .019 .013 .016 -.001 .002 -.001 |
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O2 .3352 .4808 .5929 .018 .018 .020 .017 -.002 .003 .008 |
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O3 .3673 .7895 .0765 .020 .019 .020 .022 .001 .002 .006 |
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O4 .6695 .7313 .7665 .016 .024 .011 .013 .007 .004 .005 |
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O5 .7018 .6219 .1158 .017 .026 .012 .013 .005 .001 .005 |
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O6 .3402 .7547 .5399 .017 .015 .015 .021 -.003 .002 .002 |
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O7 .5007 .0597 .1997 .017 .028 .009 .015 .005 .008 .004 |
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O8 .8608 .8934 .1421 .022 .018 .026 .023 -.004 .001 .005 |
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O9 .6434 .8524 .4693 .017 .025 .015 .012 -.004 .004 .004 |
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O10 .9147 .4231 .1644 .017 .017 .014 .021 .004 .004 .007 |
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|
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Schorlomite |
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Peterson R C, Locock A J, Luth R W |
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The Canadian Mineralogist 33 (1995) 627-631 |
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Positional disorder of oxygen in garnet: the crystal-structure |
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refinement of schorlomite |
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Sample: model 1 |
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_database_code_amcsd 0005430 |
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12.157 12.157 12.157 90 90 90 Ia-3d |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiZ .375 0 .25 .78 .014 .011 .011 0 0 0 |
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FeZ .375 0 .25 .22 .014 .011 .011 0 0 0 |
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TiY 0 0 0 .53 .0070 .0070 .0070 .001 .001 .001 |
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FeY 0 0 0 .35 .0070 .0070 .0070 .001 .001 .001 |
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AlY 0 0 0 .07 .0070 .0070 .0070 .001 .001 .001 |
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ZrY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001 |
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MgY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001 |
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MnY 0 0 0 .01 .0070 .0070 .0070 .001 .001 .001 |
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CaX .125 0 .25 .96 .003 .008 .008 0 0 .006 |
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MgX .125 0 .25 .03 .003 .008 .008 0 0 .006 |
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NaX .125 0 .25 .01 .003 .008 .008 0 0 .006 |
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O .0368 .0488 .6528 .016 .006 .012 -.003 .009 -.002 |
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|
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| |
|
Schorlomite |
|
Peterson R C, Locock A J, Luth R W |
|
The Canadian Mineralogist 33 (1995) 627-631 |
|
Positional disorder of oxygen in garnet: the crystal-structure |
|
refinement of schorlomite |
|
Sample: model 2, split oxygen |
|
_database_code_amcsd 0005431 |
|
12.157 12.157 12.157 90 90 90 Ia-3d |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiZ .375 0 .25 .78 .017 .010 .010 0 0 0 |
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FeZ .375 0 .25 .22 .017 .010 .010 0 0 0 |
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TiY 0 0 0 .53 .0071 .0071 .0071 .001 .001 .001 |
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FeY 0 0 0 .35 .0071 .0071 .0071 .001 .001 .001 |
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AlY 0 0 0 .07 .0071 .0071 .0071 .001 .001 .001 |
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ZrY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001 |
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MgY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001 |
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MnY 0 0 0 .01 .0071 .0071 .0071 .001 .001 .001 |
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CaX .125 0 .25 .96 .000 .009 .009 0 0 .006 |
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MgX .125 0 .25 .03 .000 .009 .009 0 0 .006 |
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NaX .125 0 .25 .01 .000 .009 .009 0 0 .006 |
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O1 .0406 .0479 .6556 .5 .006 |
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O2 .521 .448 .360 .5 .006 |
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|
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| |
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Bergenite |
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Locock A J, Burns P C |
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The Canadian Mineralogist 41 (2003) 91-101 |
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The crystal structure of bergenite, a new geometrical isomer of the |
|
phosphuranylite group |
|
_database_code_amcsd 0005828 |
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10.092 17.245 17.355 90 113.678 90 P2_1/c |
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atom x y z occ 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) .3119 .3921 .6823 .012 .011 .006 .014 .001 -.002 -.001 |
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U(2) .3234 .6086 .6779 .013 .011 .007 .015 .000 -.001 .000 |
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U(3) .0002 .3929 .9942 .012 .008 .007 .017 -.001 .001 .000 |
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U(4) 0 1/2 1/2 .016 .015 .011 .015 .001 -.002 .001 |
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U(5) .6382 .5023 .8603 .014 .010 .012 .016 .001 .001 .001 |
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Ba(1) .2494 .4880 .8786 .968 .026 .022 .019 .031 -.006 .006 -.004 |
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Ca(1) .2494 .4880 .8786 .032 .026 .022 .019 .031 -.006 .006 -.004 |
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Ba(2) .3888 .6584 .4582 .879 .024 .030 .015 .025 .001 .009 -.002 |
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Ca(2) .3888 .6584 .4582 .121 .024 .030 .015 .025 .001 .009 -.002 |
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Ca(1) .0538 .6942 .7974 .025 .030 .019 .029 -.008 .016 -.005 |
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P(1) .6278 .3099 .8703 .013 .007 .003 .019 .001 -.004 .000 |
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P(2) .6239 .6927 .8719 .014 .016 .002 .018 -.001 .001 .003 |
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P(3) .0352 .6885 .4729 .016 .014 .002 .021 -.002 -.003 -.001 |
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O(1) .2043 .5019 .6131 .019 |
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O(2) .4480 .5990 .6280 .025 |
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O(3) .4360 .3967 .6314 .033 |
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O(4) .0908 .4872 .4289 .034 |
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O(5) .1964 .3862 .7381 .021 |
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O(6) .7167 .5076 .7846 .034 |
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O(7) .5653 .5001 .9394 .022 |
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O(8) .6646 .2457 .8206 .013 |
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O(9) .1997 .6232 .7284 .025 |
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O(10) .6792 .7554 .8307 .016 |
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O(11) .5270 .6351 .8051 .020 |
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O(12) .8576 .4999 .9664 .021 |
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O(13) -.0998 .6350 .4430 .019 |
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O(14) .4101 .5018 .7635 .017 |
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O(15) .9747 .3862 .0906 .029 |
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O(16) .0050 .7569 .5179 .016 |
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O(17) .5064 .3623 .8113 .027 |
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O(18) .0265 .3996 .8984 .020 |
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Wat(19) .3159 .3322 .9160 .024 |
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O(20) .7534 .3692 .9070 .026 |
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O(21) .7463 .6389 .9280 .015 |
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O(22) .5912 .2769 .9389 .036 |
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Wat(23) .3016 .6498 .9093 .024 |
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O(24) .5425 .7262 .9207 .030 |
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O(25) .0821 .7139 .4042 .029 |
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O(26) .1529 .6373 .5384 .029 |
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Wat(27) -.2083 .6712 .7411 .054 |
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Wat(28) -.0199 .5349 .7490 .035 |
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Wat(29) -.0588 .7430 .6558 .047 |
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Wat(30) .2215 .8029 .7858 .041 |
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Wat(31) .6613 .4891 .6064 .071 |
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Wat(32) -.2998 .6375 .5629 .059 |
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|
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|
| |
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Torbernite |
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Locock A J, Burns P C |
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The Canadian Mineralogist 41 (2003) 489-502 |
|
Crystal structures and synthesis of the copper-dominant members of the autunite |
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and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite |
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_database_code_amcsd 0005830 |
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7.0267 7.0267 20.807 90 90 90 *P4/nnc |
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.25 .25 .25 |
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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 1/4 1/4 .4584 .010 .009 .009 .013 0 0 0 |
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P 1/4 -1/4 1/2 .011 .008 .008 .016 0 0 0 |
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Cu 1/4 1/4 1/4 .022 .018 .018 .028 0 0 0 |
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O1 1/4 1/4 .3728 .017 .019 .019 .012 0 0 0 |
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O2 1/4 1/4 .5429 .021 .024 .024 .017 0 0 0 |
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OW3 1/4 -.0222 1/4 .036 .049 .020 .040 0 .021 0 |
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O4 .2194 -.0762 .4565 .016 .016 .009 .022 .001 -.003 .002 |
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OW5 .0205 -.1667 .3391 .025 .027 .026 .023 -.002 .002 .003 |
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H1 -.067 -.103 .313 .050 |
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H2 .054 -.143 .381 .050 |
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H3 .185 -.107 .278 .050 |
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|
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|
| |
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Zeunerite |
|
Locock A J, Burns P C |
|
The Canadian Mineralogist 41 (2003) 489-502 |
|
Crystal structures and synthesis of the copper-dominant members of the autunite |
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and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite |
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_database_code_amcsd 0005831 |
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7.1797 7.1797 20.857 90 90 90 *P4/nnc |
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.25 .25 .25 |
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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 1/4 1/4 .4551 .010 .009 .009 .013 0 0 0 |
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As 1/4 -1/4 1/2 .011 .009 .009 .016 0 0 0 |
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Cu 1/4 1/4 1/4 .019 .016 .016 .025 0 0 0 |
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O1 1/4 1/4 .3690 .019 .020 .020 .017 0 0 0 |
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O2 1/4 1/4 .5401 .024 .028 .028 .016 0 0 0 |
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OW3 1/4 -.0187 1/4 .036 .040 .020 .047 0 .021 0 |
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O4 .2091 -.0669 .4517 .018 .021 .011 .023 .001 -.004 .003 |
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OW5 .0162 -.1649 .3363 .026 .026 .029 .025 -.001 .001 .002 |
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H1 -.100 -.107 .332 .050 |
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H2 .091 -.149 .372 .050 |
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H3 .181 -.098 .277 .050 |
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|
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|
| |
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Metatorbernite |
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Locock A J, Burns P C |
|
The Canadian Mineralogist 41 (2003) 489-502 |
|
Crystal structures and synthesis of the copper-dominant members of the autunite |
|
and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite |
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_database_code_amcsd 0005832 |
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6.9756 6.9756 17.349 90 90 90 *P4/n |
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.25 -.25 0 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U1 1/4 1/4 .0517 .011 .010 .010 .013 0 0 0 |
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U2 1/4 1/4 .5513 .009 .009 .009 .011 0 0 0 |
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Cu 1/4 1/4 .3112 .883 .016 .017 .017 .015 0 0 0 |
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P1 1/4 3/4 0 .010 .009 .009 .013 0 0 0 |
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P2 1/4 3/4 1/2 .010 .009 .009 .013 0 0 0 |
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O1 1/4 1/4 .4490 .019 .020 .020 .018 0 0 0 |
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O2 1/4 1/4 -.0503 .021 .028 .028 .008 0 0 0 |
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O3 1/4 1/4 .6539 .024 .025 .025 .021 0 0 0 |
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O4 1/4 1/4 .1564 .023 .029 .029 .012 0 0 0 |
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O5 .2873 .9233 .0522 .016 .015 .011 .024 -.003 -.003 -.002 |
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O6 .2055 .9221 .5519 .018 .024 .011 .019 .002 .003 -.003 |
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OW7 .5266 .2834 .3104 .030 .022 .045 .023 -.006 .001 .003 |
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OW8 .3456 .5153 -.1917 .031 .037 .032 .025 -.012 .005 -.008 |
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H1 .363 .591 -.147 .050 |
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H2 .581 .384 .340 .050 |
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H3 .568 .374 .273 .050 |
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H4 .224 .453 -.186 .050 |
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|
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|
| |
|
Metazeunerite |
|
Locock A J, Burns P C |
|
The Canadian Mineralogist 41 (2003) 489-502 |
|
Crystal structures and synthesis of the copper-dominant members of the autunite |
|
and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite |
|
_database_code_amcsd 0005833 |
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7.1094 7.1094 17.416 90 90 90 *P4/n |
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.25 -.25 0 |
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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 1/4 1/4 .0561 .010 .009 .009 .011 0 0 0 |
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U2 1/4 1/4 .5545 .09 .008 .008 .009 0 0 0 |
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Cu 1/4 1/4 .3111 .017 .017 .017 .017 0 0 0 |
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As1 1/4 3/4 0 .010 .009 .009 .012 0 0 0 |
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As2 1/4 3/4 1/2 .009 .008 .008 .011 0 0 0 |
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O1 1/4 1/4 .4515 .019 .022 .022 .011 0 0 0 |
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O2 1/4 1/4 -.0452 .024 .029 .029 .014 0 0 0 |
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O3 1/4 1/4 .6562 .017 .023 .023 .007 0 0 0 |
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O4 1/4 1/4 .1592 .017 .021 .021 .011 0 0 0 |
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O5 .2938 .9329 .0580 .018 .025 .010 .019 -.002 -.004 -.003 |
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O6 .1949 .9327 .5572 .016 .022 .010 .015 -.001 .005 -.001 |
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OW7 .5223 .2856 .3096 .023 .018 .029 .021 -.003 -.001 .000 |
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OW8 .3534 .5075 -.1940 .029 .033 .032 .021 -.007 -.001 -.004 |
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H1 .378 .570 -.147 .050 |
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H2 .577 .349 .351 .050 |
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H3 .575 .348 .266 .050 |
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H4 .218 .507 -.199 .050 |
|
|
| Download AMC data (View Text File)
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|
| |
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Li[(UO2)(PO4)](H2O)4 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
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Sample: LiUP |
|
_database_code_amcsd 0005943 |
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6.9555 6.9555 9.1389 90 90 90 *P4/n |
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.25 -.25 0 |
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atom x y z Uiso |
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U .25 .25 .0958 .013 |
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P .25 .75 0 .014 |
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Li .25 .75 .5 .030 |
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O1 .25 .25 .2889 .024 |
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O2 .25 .25 -.0989 .024 |
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O3 .5780 .2931 .0997 .021 |
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O4 .1894 -.0373 .6309 .032 |
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H1 .157 -.083 .731 .05 |
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H2 .108 .076 .613 .05 |
|
|
| Download AMC data (View Text File)
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|
| |
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Na[(UO2)(PO4)](H2O)3 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: NaUP |
|
_database_code_amcsd 0005944 |
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6.9616 6.9616 17.2677 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Uiso |
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U .25 .25 .0499 .017 |
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P .75 .25 0 .021 |
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O1 .25 .25 .1534 .032 |
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O2 .25 .25 .9480 .032 |
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O3 .7162 .0759 .4469 .028 |
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O4 .170 .9794 .3099 .75 .188 |
|
Na4 .170 .9794 .3099 .25 .188 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na[(UO2)(AsO4)](H2O)3 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: NaUAs |
|
_database_code_amcsd 0005945 |
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7.1504 7.1504 17.325 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Uiso |
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U .25 .25 .0542 .018 |
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As .75 .25 0 .020 |
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O1 .25 .25 .1576 .031 |
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O2 .25 .25 .9515 .036 |
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O3 .7122 .0665 .4420 .029 |
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O4 .1625 .9864 .3068 .75 .247 |
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Na4 .1625 .9864 .3068 .25 .247 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K[(UO2)(AsO4)](H2O)3 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: KUAs |
|
_database_code_amcsd 0005946 |
|
7.1669 7.1669 17.867 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
U .25 .25 .0529 .014 |
|
As .75 .25 0 .016 |
|
O1 .25 .25 .1517 .027 |
|
O2 .25 .25 .9536 .030 |
|
O3 .7143 .0671 .4433 .020 |
|
O4 .1624 .9909 .3135 .773 .061 |
|
K4 .1624 .9909 .3135 .227 .061 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rb[(UO2)(PO4)](H2O)3 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: RbUP |
|
_database_code_amcsd 0005947 |
|
7.0106 7.0106 17.9772 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
U .25 .25 .0481 .016 |
|
P .75 .25 0 .019 |
|
O1 .25 .25 .1468 .029 |
|
O2 .25 .25 .9487 .029 |
|
O3 .7270 .0756 .4492 .026 |
|
O4 .1738 .9769 .3157 .813 .055 |
|
Rb4 .1738 .9769 .3157 .187 .055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rb[(UO2)(AsO4)](H2O)3 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: RbUAs |
|
_database_code_amcsd 0005948 |
|
7.1904 7.1904 17.643 90 90 90 *P4/n |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
U1 .25 .25 .0543 .012 |
|
U2 .25 .25 .5513 .012 |
|
As1 .25 .75 0 .013 |
|
As2 .25 .75 .5 .014 |
|
O1 .25 .25 .4504 .024 |
|
O2 .25 .25 -.0449 .028 |
|
O3 .25 .25 .6520 .022 |
|
O4 .25 .25 .1560 .020 |
|
O5 .2209 .9336 .0577 .020 |
|
O6 .2236 .9353 .5567 .024 |
|
O7 .5217 .3446 .3003 .5 .044 |
|
Rb7 .5217 .3446 .3003 .5 .044 |
|
O8 .1801 .5211 -.1910 .055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ag[(UO2)(PO4)](H2O)3 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: AgUP |
|
_database_code_amcsd 0005949 |
|
6.9332 6.9332 16.9313 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
U .25 .25 .0518 .013 |
|
P .75 .25 0 .016 |
|
O1 .25 .25 .1571 .025 |
|
O2 .25 .25 .9470 .026 |
|
O3 .7065 .0771 .4461 .023 |
|
O4 .1626 .9991 .3161 .782 .060 |
|
Ag4 .1626 .9991 .3161 .218 .060 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ag[(UO2)(AsO4)](H2O)3 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: AgUAs |
|
_database_code_amcsd 0005950 |
|
7.0901 7.0901 17.0453 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
U .25 .25 .0560 .014 |
|
As .75 .25 0 .016 |
|
O1 .25 .25 .1595 .025 |
|
O2 .25 .25 .9525 .027 |
|
O3 .6990 .0680 .4409 .023 |
|
O4 .1557 .0111 .3159 .767 .064 |
|
Ag4 .1557 .0111 .3159 .233 .064 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tl[(UO2)(PO4)](H2O)3 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: TlUP |
|
_database_code_amcsd 0005951 |
|
7.019 7.019 17.98 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
U .25 .25 .0483 .014 |
|
P .75 .25 0 .015 |
|
O1 .25 .25 .1490 .024 |
|
O2 .25 .25 .9483 .024 |
|
O3 .7279 .0740 .4491 .022 |
|
O4 .1699 .9858 .3158 .755 .054 |
|
Tl4 .1699 .9858 .3158 .245 .054 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tl[(UO2)(AsO4)](H2O)3 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: TlUAs |
|
_database_code_amcsd 0005952 |
|
7.1905 7.1905 17.970 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z occ Uiso |
|
U .25 .25 .0529 .016 |
|
As .75 .25 0 .018 |
|
O1 .25 .25 .1512 .026 |
|
O2 .25 .25 .9548 .029 |
|
O3 .7191 .0659 .4437 .025 |
|
O4 .1707 -.0057 .3133 .252 .063 |
|
Tl4 .1707 -.0057 .3133 .748 .063 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cs2[(UO2)(PO4)]2(H2O)5 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: CsUP |
|
_database_code_amcsd 0005953 |
|
9.8716 9.9550 17.6465 90 90.402 90 P2_1/n |
|
atom x y z Uiso |
|
U1 .7443 .0002 .0470 .012 |
|
U2 .2551 .0035 .4497 .012 |
|
P1 .5002 .7457 -.0020 .014 |
|
P2 .0001 .7521 -.0028 .014 |
|
Cs1 .0894 .9071 .1944 .035 |
|
Cs2 .8064 .3094 .2019 .041 |
|
O1 .5832 .8391 .0492 .024 |
|
O2 .4206 .1632 .4470 .019 |
|
O3 .0887 .1615 .4501 .022 |
|
O4 .0911 .8429 .4505 .027 |
|
O5 .9113 .8448 .0448 .021 |
|
O6 .5873 .1696 .0567 .020 |
|
O7 .4130 .8341 .4438 .020 |
|
O8 .7381 .0064 -.0526 .022 |
|
O9 .2632 .0036 .5503 .023 |
|
O10 .2510 .0062 .3484 .020 |
|
O11 .7520 .9959 .1485 .021 |
|
O12 .0960 .8350 -.0521 .021 |
|
Wat13 .1653 .2024 .1907 .038 |
|
Wat14 .4320 .1394 .1917 .047 |
|
Wat15 .0759 .3580 .3070 .050 |
|
Wat16 .9122 .0668 .3152 .040 |
|
Wat17 .6127 .1265 .3120 .045 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cs(H3O)[(UO2)(AsO4)]2(H2O)5 |
| |
Locock A J, Burns P C, Duke M J M, Flynn T M |
|
The Canadian Mineralogist 42 (2004) 973-996 |
|
Monovalent cations in structures of the meta-autunite group |
|
Sample: CsUAs |
|
_database_code_amcsd 0005954 |
|
14.2614 7.1428 17.221 90 91.110 90 P2_1/n |
|
atom x y z Uiso |
|
U1 .1252 .2461 .0531 .012 |
|
U2 .6245 .2443 .0540 .011 |
|
As1 .3750 .2527 .0007 .013 |
|
As2 -.1262 .2515 -.0015 .013 |
|
Cs1 .4521 -.6027 .2516 .046 |
|
O1 .6211 .2390 -.0479 .024 |
|
O2 .1229 .2450 -.0491 .021 |
|
O3 .6271 .2456 .1579 .017 |
|
O4 .1259 .2459 .1562 .019 |
|
O5 .3959 .0752 -.0605 .018 |
|
O6 -.1046 .0689 -.0594 .020 |
|
O7 -.0338 .2978 .0598 .016 |
|
O8 .4670 .2903 .0605 .019 |
|
O9 -.2164 .2088 .0570 .018 |
|
O10 .2833 .2023 .0570 .019 |
|
O11 .3505 .4396 -.0555 .018 |
|
O12 -.1496 .4366 -.0584 .021 |
|
Wat13 .6636 .0071 -.1894 .040 |
|
Wat14 .1644 -.116 -.1934 .031 |
|
Wat15 .7386 .3735 -.1913 .054 |
|
Wat16 .0754 .5092 -.1881 .034 |
|
Wat17 .4892 .1658 -.1945 .030 |
|
OH318 .2377 .3622 -.1865 .027 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mn[UO2AsO4]2(H2O)12 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MnUAs12 |
|
_database_code_amcsd 0005981 |
|
7.1359 7.1439 11.3616 81.592 81.639 88.918 P-1 |
|
atom x y z Uiso |
|
Mn .5 .5 .5 .030 |
|
U .2325 .7301 .0793 .013 |
|
As .7491 .7545 .0011 .013 |
|
O1 .5475 .6950 .0935 .021 |
|
O2 .9152 .7765 .0883 .020 |
|
O3 .7273 .9558 -.0909 .021 |
|
O4 .8084 .5869 -.0854 .021 |
|
O5 .2723 .7682 -.0784 .024 |
|
O6 .1889 .6874 .2380 .024 |
|
Wat1 -.2884 .7053 .5258 .041 |
|
Wat2 .3030 .7250 .4527 .045 |
|
Wat3 -.0307 .2901 .3035 .040 |
|
Wat4 .5765 -.0576 .6893 .039 |
|
Wat5 .6313 .5003 .3161 .041 |
|
Wat6 -.1988 .9405 .3135 .042 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kirchheimerite |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: CoUAs12 |
|
_database_code_amcsd 0005982 |
|
7.1552 7.1586 11.2912 81.487 81.410 88.891 P-1 |
|
atom x y z Uiso |
|
Co 0 0 .5 .027 |
|
U .2303 .7325 .0800 .013 |
|
As .7462 .7511 -.0018 .014 |
|
O1 .5439 .7736 .0918 .020 |
|
O2 .9138 .6921 .0854 .021 |
|
O3 .8082 .9535 -.0961 .020 |
|
O4 .7233 .5849 -.0891 .022 |
|
O5 .2718 .7767 -.0804 .017 |
|
O6 .1866 .6878 .2412 .023 |
|
Wat1 -.1942 .7926 .4744 .035 |
|
Wat2 .2179 .8124 .4548 .038 |
|
Wat3 .5592 .9241 .3134 .038 |
|
Wat4 .5606 -.3020 .6825 .042 |
|
Wat5 .7930 .4656 .3068 .041 |
|
Wat6 .0022 .1310 .3218 .038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Novacekite |
|
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MgUAs12 |
|
_database_code_amcsd 0005983 |
|
7.1594 7.1610 11.3146 81.391 81.177 88.884 P-1 |
|
atom x y z Uiso |
|
Mg 0 0 .5 .028 |
|
U .7322 .2300 .0798 .012 |
|
As .7509 .7457 -.0015 .012 |
|
O1 .7759 .2688 -.0797 .011 |
|
O2 .6863 .1871 .2401 .021 |
|
O3 .7726 .5427 .0922 .019 |
|
O4 .6926 .9131 .0864 .021 |
|
O5 .5854 .7254 -.0894 .020 |
|
O6 .9546 .8049 -.0959 .019 |
|
Wat1 .8013 -.1966 .4748 .034 |
|
Wat2 .1286 .0028 .3236 .039 |
|
Wat3 .8163 .2132 .4508 .039 |
|
Wat4 .4675 .7906 .3071 .040 |
|
Wat5 .0789 .4415 .6868 .039 |
|
Wat6 .3002 .4404 .3149 .041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Novacekite I |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MgUAs12 |
|
_database_code_amcsd 0005984 |
|
7.1594 7.1610 11.3146 81.391 81.177 88.884 P-1 |
|
atom x y z Uiso |
|
Mg 0 0 .5 .028 |
|
U .7322 .2300 .0798 .012 |
|
As .7509 .7457 -.0015 .012 |
|
O1 .7759 .2688 -.0797 .011 |
|
O2 .6863 .1871 .2401 .021 |
|
O3 .7726 .5427 .0922 .019 |
|
O4 .6926 .9131 .0864 .021 |
|
O5 .5854 .7254 -.0894 .020 |
|
O6 .9546 .8049 -.0959 .019 |
|
Wat1 .8013 -.1966 .4748 .034 |
|
Wat2 .1286 .0028 .3236 .039 |
|
Wat3 .8163 .2132 .4508 .039 |
|
Wat4 .4675 .7906 .3071 .040 |
|
Wat5 .0789 .4415 .6868 .039 |
|
Wat6 .3002 .4404 .3149 .041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni[UO2AsO4]2(H2O)12 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: NiUAs12 |
|
_database_code_amcsd 0005985 |
|
7.1523 7.1583 11.2564 81.549 81.356 88.916 P-1 |
|
atom x y z Uiso |
|
Ni 0 0 .5 .025 |
|
U .2301 .7327 .0802 .013 |
|
As .7458 .7511 -.0018 .014 |
|
O1 .5437 .7756 .0926 .022 |
|
O2 .9133 .6899 .0869 .023 |
|
O3 .8065 .9530 -.0956 .021 |
|
O4 .7231 .5848 -.0894 .022 |
|
O5 .2711 .7764 -.0806 .028 |
|
O6 .1858 .6878 .2424 .024 |
|
OW7 -.1892 .7975 .4726 .033 |
|
OW8 .2148 .8173 .4544 .035 |
|
OW9 .0034 .1287 .3253 .040 |
|
OW10 .4404 .0746 .6835 .037 |
|
OW11 .7893 .4653 .3082 .040 |
|
OW12 .4374 .3013 .3187 .042 |
|
H1 -.3020 .7770 .4410 .050 |
|
H2 -.1970 .8940 .4070 .050 |
|
H3 .2020 .7560 .3860 .050 |
|
H4 .3160 .8980 .4170 .050 |
|
H5 -.0310 .2530 .2970 .050 |
|
H6 .0700 .1060 .2500 .050 |
|
H7 .4470 .1080 .7600 .050 |
|
H8 .4330 -.0560 .7140 .050 |
|
H9 .8360 .5430 .2340 .050 |
|
H10 .8100 .5440 .3670 .050 |
|
H11 .5580 .3570 .3180 .050 |
|
H12 .3470 .3720 .2750 .050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni[UO2PO4]2(H2O)12 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: NiUP12 |
|
_database_code_amcsd 0005986 |
|
6.9962 7.0012 11.171 81.591 82.189 88.721 P-1 |
|
atom x y z Uiso |
|
Ni 0 .5 .5 .023 |
|
U -.2646 .7316 .0729 .011 |
|
P .2493 .7536 .0019 .012 |
|
O1 .0599 .7039 .0866 .020 |
|
O2 .4087 .7690 .0827 .020 |
|
O3 -.3056 .6880 .2359 .020 |
|
O4 .2311 .9453 -.0818 .019 |
|
O5 .2993 .5939 -.0789 .020 |
|
O6 -.2246 .7717 -.0887 .028 |
|
OW7 .1300 .5052 .3234 .036 |
|
OW8 -.2068 .3103 .4708 .032 |
|
OW9 .1896 .2801 .5438 .034 |
|
OW10 .4728 .2917 .3046 .035 |
|
OW11 .9245 .0609 .3113 .035 |
|
OW12 .3075 .9332 .3185 .040 |
|
H1 .1390 .1550 .5740 .050 |
|
H2 -.2730 .2050 .5180 .050 |
|
H3 .2560 .4500 .3170 .050 |
|
H4 .2650 .3110 .6030 .050 |
|
H5 .8680 .0710 .2370 .050 |
|
H6 -.1500 .2480 .4040 .050 |
|
H7 .5600 .3280 .2310 .050 |
|
H8 .3600 .8850 .2460 .050 |
|
H9 .0460 .0370 .2680 .050 |
|
H10 .5600 .2830 .3640 .050 |
|
H11 .3740 .0530 .2990 .050 |
|
H12 .0510 .5470 .2610 .050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mn[UO2PO4]2(H2O)10 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MnUP10 |
|
_database_code_amcsd 0005987 |
|
6.9656 20.3768 6.9775 90 91.019 90 I2/m |
|
atom x y z Uiso |
|
Mn 0 0 0 .042 |
|
U 0 .2091 .5 .013 |
|
P 0 .2482 0 .016 |
|
O1 0 .1209 .5 .024 |
|
O2 0 .2966 .5 .027 |
|
O3 .0371 .2035 .1743 .023 |
|
O4 .3264 .2075 .5354 .023 |
|
Wat1 .2991 .4203 .4268 .055 |
|
Wat2 .1116 0 -.2925 .087 |
|
Wat3 .0542 .4151 .7897 .072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co[UO2PO4]2(H2O)10 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: CoUP10 |
|
_database_code_amcsd 0005988 |
|
6.9490 19.9348 6.9620 90 90.440 90 P2_1/n |
|
atom x y z Uiso |
|
Co 0 .5 0 .023 |
|
U .4503 .2083 .9805 .009 |
|
P .9484 .2515 .9779 .011 |
|
O1 .4074 .2015 .3070 .019 |
|
O2 .4862 .2042 .6538 .019 |
|
O3 .1247 .2082 -.0614 .018 |
|
O4 .7790 .2047 .0213 .018 |
|
O5 .4545 .2975 .9848 .022 |
|
O6 .4463 .1193 .9789 .020 |
|
Wat1 .5941 .0035 .2187 .039 |
|
Wat2 .2295 .5714 .0721 .031 |
|
Wat3 .8283 .5817 .9404 .032 |
|
Wat4 .0229 .0837 .7426 .038 |
|
Wat5 .9350 .0739 .1491 .066 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni[UO2PO4]2(H2O)10 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: NiUP10 |
|
_database_code_amcsd 0005989 |
|
6.9506 19.8215 6.9711 90 90.418 90 P2_1/n |
|
atom x y z Uiso |
|
Ni 0 0 0 .020 |
|
U .0517 .2083 .5219 .009 |
|
P -.4457 .2518 .5258 .011 |
|
O1 .3784 .2080 .5691 .020 |
|
O2 .0149 .2037 .8497 .017 |
|
O3 .0968 .2011 .1961 .018 |
|
O4 .0565 .1181 .5252 .019 |
|
O5 .0463 .2978 .5182 .019 |
|
O6 -.2746 .2045 .4879 .018 |
|
Wat1 .2264 .0680 .0675 .028 |
|
Wat2 -.0886 .0047 .2778 .030 |
|
Wat3 -.0244 .4169 .2589 .034 |
|
Wat4 .0670 .4276 .8545 .051 |
|
Wat5 -.1718 .0812 -.0588 .029 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Novacekite II |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MgUAs10 |
|
_database_code_amcsd 0005990 |
|
7.1328 20.085 7.1569 90 90.585 90 P2_1/n |
|
atom x y z Uiso |
|
Mg -.5 .5 0 .033 |
|
U .0592 .2044 .0227 .015 |
|
As -.4395 .2511 .0263 .016 |
|
O1 -.2585 .2000 -.0214 .018 |
|
O2 .0561 .2922 .0168 .026 |
|
O3 -.4844 .3008 -.1584 .020 |
|
O4 -.6280 .2020 .0780 .034 |
|
O5 -.3940 .3040 .2065 .021 |
|
O6 .0614 .1161 .0261 .015 |
|
Wat1 -.3320 .5798 .0700 .035 |
|
Wat2 -.4100 .5039 -.2700 .041 |
|
Wat3 -.7218 .5677 -.0720 .040 |
|
Wat4 -.5240 .0816 .2670 .045 |
|
Wat5 -.4190 .0739 -.1570 .099 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mn[UO2AsO4]2(H2O)8 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MnUAs8 |
|
_database_code_amcsd 0005991 |
|
7.2244 9.9170 13.337 75.012 84.136 81.995 P-1 |
|
atom x y z Uiso |
|
Mn .3228 .3606 .2594 .021 |
|
U1 .2347 .6923 .4009 .010 |
|
U2 .2282 .2001 -.0914 .011 |
|
As1 .2519 .8720 .1202 .011 |
|
As2 .2465 .3776 -.3724 .012 |
|
O1 .2618 .0445 .0669 .020 |
|
O2 .1977 .8337 .4631 .018 |
|
O3 .1903 .3384 -.0263 .019 |
|
O4 .0876 .8121 .0685 .019 |
|
O5 .4586 .7772 .0993 .021 |
|
O6 .4546 .2828 -.3884 .021 |
|
O7 .0823 .3133 -.4212 .019 |
|
O8 .2589 .5472 -.4367 .021 |
|
O9 .1992 .8550 .2485 .021 |
|
O10 .2710 .5463 .3388 .022 |
|
O11 .2681 .0629 -.1579 .023 |
|
O12 .1922 .3710 -.2455 .019 |
|
Wat1 .4133 .1781 .1957 .035 |
|
Wat2 .5745 .2911 .3405 .041 |
|
Wat3 .1727 .2279 .3884 .042 |
|
Wat4 .0703 .4317 .1795 .045 |
|
Wat5 .4782 .4847 .1300 .045 |
|
Wat6 .9578 .0906 .2978 .043 |
|
Wat7 .7827 .2786 .1153 .055 |
|
Wat8 .3758 .0068 .5937 .079 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Metakahlerite |
|
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: FeUAs8 |
|
_database_code_amcsd 0005992 |
|
7.2072 9.8242 13.2708 75.3701 84.024 81.839 P-1 |
|
atom x y z Uiso |
|
Fe .3267 .3607 .2603 .020 |
|
U1 .2344 .6930 .4008 .011 |
|
U2 .2282 .2010 -.0914 .012 |
|
As1 .2515 .8716 .1200 .012 |
|
As2 .2464 .3780 -.3726 .013 |
|
O1 .2620 .0461 .0676 .021 |
|
O2 .1963 .8344 .4628 .018 |
|
O3 .1887 .3399 -.0260 .020 |
|
O4 .0873 .8121 .0673 .020 |
|
O5 .4588 .7762 .1009 .021 |
|
O6 .4542 .2815 -.3873 .021 |
|
O7 .0825 .3152 -.4231 .020 |
|
O8 .2609 .5491 -.4359 .022 |
|
O9 .1960 .8553 .2483 .022 |
|
O10 .2716 .5464 .3381 .023 |
|
O11 .2683 .0625 -.1576 .026 |
|
O12 .1888 .3717 -.2456 .021 |
|
Wat1 .4113 .1800 .1965 .032 |
|
Wat2 .5697 .2896 .3425 .039 |
|
Wat3 .1766 .2338 .3847 .040 |
|
Wat4 .0833 .4329 .1799 .041 |
|
Wat5 .4786 .4803 .1349 .041 |
|
Wat6 .9628 .0959 .2973 .038 |
|
Wat7 .7833 .2812 .1159 .054 |
|
Wat8 .3666 .0073 .5924 .064 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Metakirchheimerite |
|
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: CoUAs8 |
|
_database_code_amcsd 0005993 |
|
7.1955 9.7715 13.2319 75.525 84.052 81.661 P-1 |
|
atom x y z Uiso |
|
Co .3278 .3616 .2616 .019 |
|
U1 .2351 .6933 .4006 .011 |
|
U2 .2266 .2022 -.0912 .012 |
|
As1 .2522 .8715 .1199 .012 |
|
As2 .2457 .3786 -.3723 .012 |
|
O1 .2615 .0460 .0666 .020 |
|
O2 .1954 .8364 .4625 .020 |
|
O3 .1858 .3420 -.0251 .021 |
|
O4 .0887 .8111 .0662 .020 |
|
O5 .4600 .7745 .1012 .023 |
|
O6 .4538 .2796 -.3858 .021 |
|
O7 .0811 .3161 -.4241 .020 |
|
O8 .2616 .5495 -.4361 .020 |
|
O9 .1953 .8556 .2480 .021 |
|
O10 .2741 .5461 .3378 .023 |
|
O11 .2679 .0632 -.1585 .026 |
|
O12 .1860 .3728 -.2451 .020 |
|
Wat1 .4113 .1813 .1984 .030 |
|
Wat2 .5648 .2890 .3408 .034 |
|
Wat3 .1777 .2376 .3830 .037 |
|
Wat4 .0892 .4297 .1824 .040 |
|
Wat5 .4805 .4778 .1402 .042 |
|
Wat6 .9642 .0982 .2950 .037 |
|
Wat7 .7774 .2778 .1189 .050 |
|
Wat8 .3609 .0056 .5907 .058 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sr[(UO2)(PO4)]2(H2O)11 |
| |
Locock A J, Burns P C, Flynn T M |
|
The Canadian Mineralogist 43 (2005) 721-733 |
|
Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet |
|
Sample: SrUP11 |
|
_database_code_amcsd 0006006 |
|
14.042 21.008 6.997 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .1249 .5414 .7483 .012 .010 .017 .009 .001 0 0 |
|
P .1238 .5003 .2461 .014 .010 .021 .010 .003 -.001 -.001 |
|
Sr .1247 .75 .4687 .795 .020 .013 .026 .020 0 0 0 |
|
O1 .1239 .4567 .7473 .027 .027 .022 .031 .014 0 0 |
|
O2 .1220 .6260 .7428 .022 .017 .021 .026 .002 -.001 0 |
|
O3 .1251 .5437 .0698 .028 .038 .036 .009 -.004 -.003 .005 |
|
O4 .0363 .4583 .2434 .027 .008 .032 .040 -.004 0 .001 |
|
O5 .2109 .4556 .2533 .022 .014 .026 .026 -.003 .002 -.001 |
|
O6 .1205 .5453 .4214 .022 .025 .034 .008 -.004 .001 -.002 |
|
Wat7 .7446 .25 .2671 .039 .052 .022 .044 0 -.009 0 |
|
Wat8 .2405 .6593 .3450 .065 .036 .022 .136 .006 .022 -.005 |
|
Wat9 .0087 .6593 .3535 .059 .047 .040 .090 -.010 -.023 .002 |
|
Wat10 .9982 .25 .2630 .039 .042 .029 .044 0 .020 0 |
|
Wat11 .1245 .75 .0660 .040 .024 .051 .045 0 -.003 0 |
|
Wat12 .1772 .3431 .4787 .051 .051 .040 .060 -.002 .014 -.011 |
|
Wat13 .0720 .3433 .0189 .052 .056 .039 .061 .005 .024 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sr[(UO2)(AsO4)]2(H2O)8 |
| |
Locock A J, Burns P C, Flynn T M |
|
The Canadian Mineralogist 43 (2005) 721-733 |
|
Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet |
|
Sample: SrUAs8 |
|
_database_code_amcsd 0006007 |
|
7.154 7.101 18.901 90 92.67 90 P2/c |
|
atom x y z Uiso |
|
U1 .2536 .2592 .0499 .016 |
|
As1 .7439 .2492 .0007 .017 |
|
Sr1 0 .1687 .25 .026 |
|
O1 .254 .267 -.045 .014 |
|
O2 .245 .250 .145 .015 |
|
O3 .938 .296 .050 .021 |
|
O4 .569 .218 .057 .023 |
|
O5 .776 .057 -.049 .029 |
|
O6 .695 .424 -.057 .011 |
|
Wat7 .112 .475 .320 .032 |
|
Wat8 .037 .879 .174 .046 |
|
Wat9 .661 .079 .198 .038 |
|
Wat10 .560 .682 .183 .039 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sr[(UO2)(AsO4)]2(H2O)11 |
| |
Locock A J, Burns P C, Flynn T M |
|
The Canadian Mineralogist 43 (2005) 721-733 |
|
Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet |
|
Sample: SrUAs11 |
|
_database_code_amcsd 0006008 |
|
14.3778 20.9611 7.1703 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .1251 .5451 .7485 .014 .010 .019 .012 0 0 0 |
|
As .1251 .5002 .2451 .016 .010 .025 .014 0 0 -.001 |
|
Sr .1249 .75 .4820 .840 .034 .023 .044 .033 0 0 0 |
|
O1 .1256 .4605 .7488 .029 |
|
O2 .1263 .6304 .7420 .024 |
|
O3 .1284 .5488 .0634 .031 |
|
O4 .0326 .4503 .2426 .024 |
|
O5 .2170 .4532 .2515 .036 |
|
O6 .1224 .5487 .4298 .029 |
|
Wat7 .7619 .25 .2628 .109 |
|
Wat8 .2418 .6621 .3670 .075 |
|
Wat9 .0081 .6627 .3683 .072 |
|
Wat10 .0049 .25 .2577 .037 |
|
Wat11 .1247 .75 .0588 .047 |
|
Wat12 .3209 .6587 -.0114 .073 |
|
Wat13 .0710 .3409 .0103 .072 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Heinrichite |
|
Locock A J, Burns P C, Flynn T M |
|
The Canadian Mineralogist 43 (2005) 721-733 |
|
Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet |
|
_database_code_amcsd 0006009 |
|
7.1548 7.1340 21.290 90 104.171 90 P2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .2861 .7488 .0440 .013 .012 .011 .015 0 .003 0 |
|
As .2462 .2486 .0011 .014 .012 .011 .019 0 .004 0 |
|
Ba .5 -.0417 .25 .024 .025 .025 .020 0 .003 0 |
|
O1 .3520 .7528 .1308 .019 .022 .015 .021 .002 .004 0 |
|
O2 .3200 .4323 .0502 .022 .032 .011 .020 -.004 .003 -.004 |
|
O3 .2436 .0635 .0497 .021 .027 .011 .027 0 .011 .004 |
|
O4 .3966 .2112 -.0469 .019 .012 .024 .024 -.003 .009 -.002 |
|
O5 .0284 .2857 -.0477 .021 .014 .026 .025 -.001 .005 .002 |
|
O6 .2234 .7473 -.0418 .024 .027 .028 .018 .001 .007 .001 |
|
Wat7 .1406 .1012 .1747 .043 .033 .049 .047 .007 .009 -.005 |
|
Wat8 .7529 -.0049 .1623 .043 .051 .048 .032 -.015 .015 -.002 |
|
Wat9 .5252 .3046 .1772 .048 .063 .035 .038 -.003 0 .001 |
|
Wat10 .2806 .6324 .2615 .043 .041 .048 .039 -.009 .008 -.004 |
|
Wat11 .0189 .5071 .3373 .051 .064 .061 .031 .015 .015 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Meta-uranocircite I |
|
Locock A J, Burns P C, Flynn T M |
|
The Canadian Mineralogist 43 (2005) 721-733 |
|
Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet |
|
_database_code_amcsd 0006010 |
|
6.943 17.634 6.952 90 90.023 90 P2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .5350 .0711 .5464 .012 .009 .017 .009 0 -.001 0 |
|
U2 .0412 .1665 .0404 .011 .006 .018 .010 0 -.002 0 |
|
Ba .3984 .3399 .1804 .027 .023 .033 .024 -.007 -.001 -.005 |
|
P1 .0362 .1180 -.4591 .013 .007 .022 .009 0 -.001 .001 |
|
P2 .5348 .1203 .0518 .013 .007 .020 .012 -.001 0 0 |
|
O1 .5360 .1725 .5350 .026 |
|
O2 .0440 .0670 .0420 .020 |
|
O3 .4893 .0768 .8716 .019 |
|
O4 .5690 .0670 .2186 .013 |
|
O5 .2107 .0676 -.4911 .016 |
|
O6 -.2830 .1714 .0200 .021 |
|
O7 -.1406 .0700 -.4252 .019 |
|
O8 .0660 .1732 -.2850 .023 |
|
O9 .0062 .1716 -.6330 .020 |
|
O10 .3674 .1773 .0969 .013 |
|
O11 .5380 -.0295 .5616 .016 |
|
O12 .0480 .2694 .0400 .017 |
|
Wat13 .2560 .3072 .5540 .040 |
|
Wat14 .6930 .4329 .0570 .037 |
|
Wat15 .7520 .3109 .3880 .033 |
|
Wat16 .2420 .4226 -.1380 .042 |
|
Wat17 -.0520 -.0803 -.2660 .030 |
|
Wat18 .5800 .3029 -.1760 .044 |
|
Wat19 .1390 -.0770 -.7100 .049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Metauranocircite I |
|
Locock A J, Burns P C, Flynn T M |
|
The Canadian Mineralogist 43 (2005) 721-733 |
|
Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet |
|
_database_code_amcsd 0006011 |
|
6.943 17.634 6.952 90 90.023 90 P2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 .5350 .0711 .5464 .012 .009 .017 .009 0 -.001 0 |
|
U2 .0412 .1665 .0404 .011 .006 .018 .010 0 -.002 0 |
|
Ba .3984 .3399 .1804 .027 .023 .033 .024 -.007 -.001 -.005 |
|
P1 .0362 .1180 -.4591 .013 .007 .022 .009 0 -.001 .001 |
|
P2 .5348 .1203 .0518 .013 .007 .020 .012 -.001 0 0 |
|
O1 .5360 .1725 .5350 .026 |
|
O2 .0440 .0670 .0420 .020 |
|
O3 .4893 .0768 .8716 .019 |
|
O4 .5690 .0670 .2186 .013 |
|
O5 .2107 .0676 -.4911 .016 |
|
O6 -.2830 .1714 .0200 .021 |
|
O7 -.1406 .0700 -.4252 .019 |
|
O8 .0660 .1732 -.2850 .023 |
|
O9 .0062 .1716 -.6330 .020 |
|
O10 .3674 .1773 .0969 .013 |
|
O11 .5380 -.0295 .5616 .016 |
|
O12 .0480 .2694 .0400 .017 |
|
Wat13 .2560 .3072 .5540 .040 |
|
Wat14 .6930 .4329 .0570 .037 |
|
Wat15 .7520 .3109 .3880 .033 |
|
Wat16 .2420 .4226 -.1380 .042 |
|
Wat17 -.0520 -.0803 -.2660 .030 |
|
Wat18 .5800 .3029 -.1760 .044 |
|
Wat19 .1390 -.0770 -.7100 .049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Metauranocircite II |
| |
Locock A J, Burns P C, Flynn T M |
|
The Canadian Mineralogist 43 (2005) 721-733 |
|
Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet |
|
_database_code_amcsd 0006012 |
|
9.882 16.868 9.789 90 90.52 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 -.50710 -.79811 .73137 .0146 .0144 .0146 .0148 .0000 -.0022 -.0018 |
|
U2 -.00705 -.69617 .72978 .0147 .0154 .0152 .0133 .0005 -.0004 .0015 |
|
Ba -.82940 -.94228 .87402 .0348 .0344 .0247 .0451 -.0028 .0011 .0013 |
|
P1 -.7622 -.7576 .4757 .018 |
|
P2 -.2579 -.7585 .4799 .018 |
|
O1 -.5174 -.9050 .7406 .025 |
|
O2 -.5096 -.6951 .7141 .023 |
|
O3 -.0114 -.5934 .7071 .035 |
|
O4 -.9919 -.8019 .7502 .022 |
|
O5 -.8583 -.8168 .4041 .023 |
|
O6 -.8420 -.7029 .5640 .038 |
|
O7 -.6630 -.8026 .5574 .022 |
|
O8 -.7014 -.7066 .3665 .038 |
|
O9 -.1591 -.7016 .5496 .042 |
|
O10 -.3621 -.7074 .4025 .029 |
|
O11 -.1823 -.8115 .3763 .033 |
|
Wat13 -.3348 -.8109 .5834 .010 |
|
Wat14 -.1185 -.9415 .9197 .038 |
|
Wat15 -.8972 -.9462 .5905 .046 |
|
Wat16 -.6089 -.9526 .0658 .073 |
|
Wat17 -.6752 -.0513 .7361 .055 |
|
Wat18 -.5784 -.9546 .4132 .047 |
|
Wat19 -.2100 -.9637 .6508 .057 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Meta-uranocircite II |
| |
Locock A J, Burns P C, Flynn T M |
|
The Canadian Mineralogist 43 (2005) 721-733 |
|
Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet |
|
_database_code_amcsd 0006013 |
|
9.882 16.868 9.789 90 90.52 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1 -.50710 -.79811 .73137 .0146 .0144 .0146 .0148 .0000 -.0022 -.0018 |
|
U2 -.00705 -.69617 .72978 .0147 .0154 .0152 .0133 .0005 -.0004 .0015 |
|
Ba -.82940 -.94228 .87402 .0348 .0344 .0247 .0451 -.0028 .0011 .0013 |
|
P1 -.7622 -.7576 .4757 .018 |
|
P2 -.2579 -.7585 .4799 .018 |
|
O1 -.5174 -.9050 .7406 .025 |
|
O2 -.5096 -.6951 .7141 .023 |
|
O3 -.0114 -.5934 .7071 .035 |
|
O4 -.9919 -.8019 .7502 .022 |
|
O5 -.8583 -.8168 .4041 .023 |
|
O6 -.8420 -.7029 .5640 .038 |
|
O7 -.6630 -.8026 .5574 .022 |
|
O8 -.7014 -.7066 .3665 .038 |
|
O9 -.1591 -.7016 .5496 .042 |
|
O10 -.3621 -.7074 .4025 .029 |
|
O11 -.1823 -.8115 .3763 .033 |
|
Wat13 -.3348 -.8109 .5834 .010 |
|
Wat14 -.1185 -.9415 .9197 .038 |
|
Wat15 -.8972 -.9462 .5905 .046 |
|
Wat16 -.6089 -.9526 .0658 .073 |
|
Wat17 -.6752 -.0513 .7361 .055 |
|
Wat18 -.5784 -.9546 .4132 .047 |
|
Wat19 -.2100 -.9637 .6508 .057 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Uranospathite |
|
Locock A J, Kinman W S, Burns P C |
|
The Canadian Mineralogist 43 (2005) 989-1003 |
|
The structure and composition of uranospathite, |
|
Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33, |
|
a non-centrosymmetric fluorine-bearing mineral of the autunite group, |
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and of a related synthetic lower hydrate, |
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Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5 |
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Locality: Venachat, Haute-Vienne, France |
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_database_code_amcsd 0006021 |
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30.020 7.0084 7.0492 90 90 90 Pnn2 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 0 0.5 .9578 .86 .017 .019 .015 .018 -.001 0 0 |
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U1 .2214 .2543 .2477 .014 .017 .012 .012 .000 -.002 -.001 |
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P1 .2505 .7546 .2465 .016 .022 .013 .012 -.004 -.010 -.002 |
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O1 .2806 .2563 .2356 .020 |
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O2 .1621 .2547 .2595 .019 |
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O3 .2194 .5794 .2736 .016 |
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O4 .2776 .7790 .4233 .011 |
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O5 .2199 .9266 .2179 .021 |
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O6 .2839 .7241 .0780 .020 |
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O7 .9733 .3410 .7789 .038 |
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O8 .9811 .3281 .1446 .036 |
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O9 .0544 .3508 .9487 .042 |
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O10 .1376 .4784 .8421 .039 |
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O11 .1401 .0245 .6477 .035 |
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O12 .1409 .6660 .4836 .039 |
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O13 .1416 .8489 .0104 .032 |
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O14 .0617 .0000 .1109 .036 |
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O15 .0611 .5307 .4536 .038 |
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O16 .0657 .1452 .4750 .036 |
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O17 0 0 .6714 .032 |
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Al0.67[(UO2)(PO4)]2(H2O)15.5 |
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Locock A J, Kinman W S, Burns P C |
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The Canadian Mineralogist 43 (2005) 989-1003 |
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The structure and composition of uranospathite, |
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Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33, |
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a non-centrosymmetric fluorine-bearing mineral of the autunite group, |
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and of a related synthetic lower hydrate, |
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Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5 |
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Sample: AlUP |
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_database_code_amcsd 0006022 |
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7.0020 13.7120 14.0243 78.418 89.676 81.863 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 -.4863 -.0095 .2504 .67 .041 |
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U1 .2336 .5639 .3622 .016 .012 .028 .009 -.004 .004 -.007 |
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U2 -.2328 .4367 .1379 .013 .010 .016 .011 -.001 -.001 -.002 |
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P1 -.2494 .4993 .3734 .020 .012 .042 .008 -.005 .001 -.009 |
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P2 .2486 .5014 .1230 .014 .012 .016 .012 -.001 .002 -.002 |
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O1 -.1931 .4336 .4745 .027 |
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O2 .2100 .5721 .0228 .015 |
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O3 .0981 .4250 .1550 .026 |
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O4 -.4380 .5681 .3736 .034 |
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O5 .2680 .5606 .2010 .023 |
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O6 .4450 .4339 .1218 .012 |
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O7 -.2484 .4229 .3031 .017 |
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O8 -.0899 .5623 .3506 .018 |
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O9 .2770 .4306 .3863 .027 |
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O10 -.2632 .5706 .1106 .024 |
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O11 .1978 .6940 .3420 .030 |
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O12 -.1959 .3003 .1689 .021 |
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O13 .4229 .2505 .0599 .023 |
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O14 -.0421 .7524 .0327 .046 |
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O15 .0555 .2492 .4775 .044 |
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O16 -.2250 .7328 .2242 .091 |
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O17 .2196 .2456 .2936 .026 |
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O18 .3976 .7529 .1197 .050 |
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O19 -.4170 .2337 .3781 .053 |
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O20 -.0233 .0837 .1049 .047 |
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O21 .3870 .2610 .5572 .091 |
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O22 -.0050 .0521 .5108 .5 .037 |
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O23 -.3520 .0843 .1698 .096 |
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O24 -.5150 -.0511 .1266 .096 |
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O25 -.2390 -.0868 .2475 .096 |
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O26 -.4040 .0498 .3576 .096 |
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O27 -.5870 -.1166 .3278 .096 |
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O28 -.7280 .0727 .2280 .096 |
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Stronalsite |
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Liferovich R P, Locock A J, Mitchell R H, Shpachenko A K |
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The Canadian Mineralogist 44 (2006) 533-546 |
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The crystal structure of stronalsite and a |
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redetermination of the structure of banalsite |
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Locality: Khibina peralkaline complex, Kola alkaline province, Russia |
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_database_code_amcsd 0006093 |
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8.4080 9.8699 16.7083 90 90 90 Iba2 |
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atom x y z Uiso |
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Sr 0 .5 .1541 .0169 |
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Na -.0430 .3244 -.0955 .0215 |
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Al1 .0693 .1912 .0635 .0115 |
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Al2 -.2771 .4507 .3106 .0105 |
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Si1 -.2631 .5546 -.0017 .0108 |
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Si2 .0770 .8009 .2457 .0101 |
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O1 -.2154 .4911 .4079 .0161 |
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O2 -.0023 .2154 .1593 .0183 |
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O3 -.0776 .1427 -.0040 .0139 |
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O4 .2248 .9064 .2488 .0142 |
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O5 .2278 .0760 .0571 .0156 |
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O6 -.4485 .3534 .3100 .0150 |
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O7 .1218 .6472 .2720 .0164 |
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O8 -.1155 .6439 .0327 .0134 |
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Banalsite |
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Liferovich R P, Locock A J, Mitchell R H, Shpachenko A K |
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The Canadian Mineralogist 44 (2006) 533-546 |
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The crystal structure of stronalsite and a |
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redetermination of the structure of banalsite |
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Locality: Benallt mine, Wales |
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_database_code_amcsd 0006094 |
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8.5400 10.0127 16.7897 90 90 90 Iba2 |
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atom x y z Uiso |
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Ba 0 .5 .1545 .0112 |
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Na -.0421 .3258 -.0954 .0185 |
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Al1 .0706 .1862 .0635 .0086 |
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Al2 -.2793 .4453 .3111 .0096 |
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Si1 -.2652 .5596 -.0025 .0076 |
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Si2 .0789 .8062 .2462 .0084 |
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O1 -.2141 .4846 .4076 .0129 |
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O2 -.0056 .2077 .1582 .0147 |
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O3 -.0752 .1448 -.0051 .0119 |
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O4 .2223 .9130 .2492 .0109 |
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O5 .2258 .0714 .0548 .0133 |
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O6 -.4499 .3538 .3112 .0108 |
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O7 .1288 .6553 .2722 .0119 |
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O8 -.12181 .6522 .0317 .0113 |
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Banalsite |
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Liferovich R P, Locock A J, Mitchell R H, Shpachenko A K |
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The Canadian Mineralogist 44 (2006) 533-546 |
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The crystal structure of stronalsite and a |
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redetermination of the structure of banalsite |
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Locality: Langban, Sweden |
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_database_code_amcsd 0006095 |
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8.5068 9.9811 16.7485 90 90 90 Iba2 |
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atom x y z Uiso |
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Ba 0 .5 .1544 .0107 |
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Na -.0422 .3256 -.0958 .0187 |
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Al1 .0709 .1865 .0632 .0091 |
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Al2 -.2787 .4452 .3113 .0087 |
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Si1 -.2655 .5595 -.0024 .0082 |
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Si2 .0787 .8065 .2459 .0081 |
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O1 -.2142 .4851 .4073 .0127 |
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O2 -.0052 .2076 .1580 .0143 |
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O3 -.0757 .1439 -.0049 .0124 |
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O4 .2223 .9139 .2499 .0112 |
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O5 .2262 .0719 .0553 .0140 |
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O6 -.4499 .3532 .3114 .0110 |
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O7 .1285 .6548 .2722 .0124 |
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O8 -.1222 .6523 .0312 .0115 |
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Sn6SiO8 |
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Locock A J, Ramik R A, Back M E |
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The Canadian Mineralogist 44 (2006) 1457-1467 |
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The structures of two novel Sn2+ oxysalts found with romarchite and |
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hydroromarchite as corrosion products of pewter artifacts |
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_database_code_amcsd 0006130 |
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7.3742 7.3742 11.9598 90 90 120 P6_3mc |
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atom x y z Uiso |
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Sn1 .82637 .17363 .59214 .03065 |
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Sn2 .49272 .50728 .85203 .02947 |
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Si 1/3 2/3 .5963 .0146 |
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O1 .4547 .9094 .5477 .0275 |
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O2 1/3 2/3 .7307 .024 |
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O3 2/3 1/3 .6177 .0118 |
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O4 .1946 .3891 .9208 .0167 |
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Sn6SiO8(OH2) |
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Locock A J, Ramik R A, Back M E |
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The Canadian Mineralogist 44 (2006) 1457-1467 |
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The structures of two novel Sn2+ oxysalts found with romarchite and |
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hydroromarchite as corrosion products of pewter artifacts |
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_database_code_amcsd 0006131 |
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14.0071 12.5016 14.5030 90 90 90 Pbca |
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atom x y z occ Uiso |
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Sn1 .01749 .82313 .33891 .02042 |
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Sn2 .01109 .67521 .54400 .02078 |
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Sn3 .26344 .83072 .45157 .02085 |
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Sn4 .25365 .82371 .16166 .01995 |
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Sn5 .38223 .59124 .45298 .02045 |
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Sn6 .39966 .58021 .15603 .02378 |
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S .14065 .57227 .18255 .0194 |
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O1 .1286 .4669 .1349 .0271 |
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O2 .2167 .6332 .1284 .0282 |
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O3 .0520 .6293 .1814 .0354 |
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O4 .1773 .5560 .2772 .0395 |
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O5 .3845 .7443 .1898 .0147 |
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OH6 .0451 .6519 .3851 .0204 |
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OH7 .3796 .7455 .3750 .0170 |
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O8 -.0107 .8227 .4791 .0173 |
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O9 .3855 .6096 .0145 .0178 |
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O10 .2753 .8156 .0202 .0174 |
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SnA1 -.0160 .6752 .6624 .09 .0249 |
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SnA2 .2188 .8243 .3384 .09 .0318 |
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SnA3 .3337 .5807 .3428 .09 .0258 |
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SnA4 .2262 .8250 .0423 .09 .0280 |
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SnA5 .3575 .5908 .0471 .09 .0264 |
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SnA6 -.0263 .8322 .4521 .09 .028 |
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Hugelite |
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Locock A J, Burns P C |
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Mineralogical Magazine 67 (2003) 1109-1120 |
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The structure of hugelite, an arsenate of the phosphuranylite group, and its |
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relationship to dumontite |
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Locality: Michael Mine, Weiler, Lahr, Black Forest, Baden-Wurttemburg, Germany |
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Note: x(O11) corrected |
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_database_code_amcsd 0014569 |
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31.066 17.303 7.043 90 96.492 90 P2_1/m |
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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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Pb1 -.3624 .6065 -.0037 .023 .020 .021 .027 .001 .002 -.001 |
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Pb2 -.1377 .3938 .5037 .023 .017 .022 .029 .000 .002 -.001 |
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Pb3 -.3877 .3938 .7541 .023 .019 .022 .027 .000 .002 -.002 |
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Pb4 -.1122 .6062 .7465 .022 .014 .024 .029 -.001 .001 -.001 |
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U1 .0240 .75 .2750 .013 .011 .018 .011 0 .000 0 |
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U2 -.2261 .75 .5247 .014 .014 .016 .010 0 .000 0 |
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U3 -.2741 .25 -.0251 .014 .017 .013 .011 0 .002 0 |
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U4 -.4761 .75 -.2247 .014 .019 .011 .010 0 -.001 0 |
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U5 .0216 .6446 .7748 .011 .008 .012 .011 .000 .000 .000 |
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U6 -.2285 .6446 .0249 .011 .014 .009 .011 .000 .002 -.001 |
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U7 -.2715 .3553 .4748 .011 .014 .007 .012 -.001 .002 .001 |
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U8 -.4785 .6445 -.7257 .011 .015 .008 .011 .000 .002 -.001 |
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As1 .0281 .5524 .2816 .012 .016 .004 .015 -.002 .000 -.006 |
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As2 -.2217 .5515 .5298 .015 .017 .009 .017 -.001 .001 .001 |
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As3 -.2782 .4478 -.0299 .012 .019 .007 .009 -.001 -.003 -.002 |
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As4 -.4719 .5515 -.2202 .016 .022 .018 .010 .002 .005 .002 |
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O1 .0807 .75 .3320 .022 |
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O2 -.0344 .75 .2170 .016 |
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O3 -.2849 .75 .4740 .028 |
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O4 -.1678 .75 .5790 .039 |
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O5 -.3312 .25 -.0760 .020 |
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O6 -.2171 .25 .0260 .019 |
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O7 -.5320 .75 -.2650 .031 |
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O8 -.4161 .75 -.1720 .025 |
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O9 .0782 .6364 .7660 .030 |
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O10 -.0362 .6509 .7570 .018 |
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O11 -.2877 .6488 .0270 .016 |
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O12 -.1688 .6342 .0210 .006 |
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O13 -.3295 .3645 .4560 .033 |
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O14 -.2124 .3526 .4550 .012 |
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O15 -.5349 .6489 -.7150 .033 |
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O16 -.4220 .6304 -.7430 .020 |
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O17 .0245 .75 .5930 .002 |
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O18 .0270 .75 -.0450 .016 |
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O19 .0267 .6196 .1080 .006 |
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O20 .0184 .6144 .4520 .026 |
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O21 -.2312 .75 -.1650 .023 |
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O22 -.2171 .75 .2120 .010 |
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O23 -.2325 .6216 .6870 .005 |
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O24 -.2175 .6131 .3480 .024 |
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O25 -.2768 .25 .2880 .009 |
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O26 -.2703 .25 .6520 .008 |
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O27 -.2681 .3869 -.1990 .026 |
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O28 -.2878 .3879 .1450 .015 |
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O29 -.4674 .75 -.5400 .021 |
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O30 -.4871 .75 .0830 .015 |
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O31 -.4929 .6152 -.0551 .014 |
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O32 -.4650 .6204 -.3870 .027 |
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O33 .0752 .5079 .3580 .017 |
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O34 -.0141 .4902 .2460 .014 |
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O35 -.1727 .5123 .5667 .014 |
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O36 -.2625 .4909 .4610 .014 |
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O37 -.2381 .5072 .0250 .020 |
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O38 -.3268 .4881 -.0980 .017 |
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O39 -.5119 .4903 -.2830 .014 |
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O40 -.4260 .5052 -.1340 .032 |
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Wat41 -.3523 .75 .1820 .013 |
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Wat42 -.1423 .25 .2920 .053 |
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Wat43 -.3940 .25 .5710 .039 |
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Wat44 -.1044 .75 .9330 .017 |
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Wat45 -.1603 .4479 .1730 .036 |
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Wat46 -.3396 .5492 .3270 .031 |
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Wat47 -.0925 .5486 .0830 .032 |
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Wat48 -.4086 .4434 .3860 .035 |
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Wat49 -.4038 .3431 .1000 .043 |
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Wat50 -.1020 .6713 .4030 .035 |
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Wat51 -.3524 .6482 -.3600 .064 |
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Wat52 -.1378 .3477 .8650 .034 |
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Zr(PO3)4 |
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Locock A J |
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Structural Chemistry of Inorganic Actinide Compounds 6 (2006) 214-278 |
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Crystal chemistry of actinide phosphates and arsenates |
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_database_code_amcsd 0015624 |
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13.50 28.80 8.66 90 90.04 90 C2/c |
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atom x y z |
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Zr1 .5 -.4309 .75 |
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Zr2 -.2686 -.3180 .2498 |
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Zr3 0 -.4322 .75 |
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P1 -.1402 -.4881 .0261 |
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P2 -.1099 -.2429 .0267 |
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P3 -.4252 -.4071 .3692 |
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P4 -.1743 -.3474 .6285 |
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P5 -.3568 -.4934 .4902 |
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P6 -.3306 -.3461 -.1364 |
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P7 -.1067 -.2606 .5027 |
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P8 -.0829 -.3986 .1345 |
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O1 -.3755 -.3677 .2903 |
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O2 -.4746 -.3989 .5188 |
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O3 -.3494 -.4493 .3818 |
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O4 -.1429 -.3614 .2083 |
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O5 -.0420 -.3926 -.0219 |
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O6 0 -.4157 .25 |
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O7 -.1462 -.4456 .1402 |
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O8 -.2314 -.3528 .4833 |
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O9 -.1160 -.3880 .6888 |
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O10 -.2407 -.3285 -.2353 |
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O11 -.1025 -.3036 .6190 |
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O12 -.3966 -.3002 -.1421 |
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O13 -.2980 -.3558 .0240 |
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O14 -.3845 -.3820 -.2248 |
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O15 -.1279 -.2161 .5822 |
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O16 .5 -.4294 .25 |
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O17 -.1736 -.2723 .3706 |
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O18 -.3776 -.2757 .1334 |
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O19 .5034 -.2368 -.0575 |
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O20 -.3182 -.2210 -.0789 |
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O21 -.2471 .4924 .0541 |
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O22 -.4231 -.4822 .6226 |
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O23 -.3778 -.4636 -.0935 |
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O24 -.1244 -.4714 -.1331 |
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O25 -.0697 -.4758 .5841 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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U(PO3)4 |
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Locock A J |
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Structural Chemistry of Inorganic Actinide Compounds 6 (2006) 214-278 |
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Crystal chemistry of actinide phosphates and arsenates |
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_database_code_amcsd 0015625 |
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11.51 13.01 8.15 90 134.0 90 Cm |
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atom x y z |
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U .0473 .2792 -.0009 |
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P1 .4045 .1135 .2400 |
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P2 .1648 .1118 -.5335 |
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P3 -.0688 .1133 -.4775 |
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P4 .6895 .1140 .7455 |
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O1 -.1360 .1552 -.1280 |
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O2 -.0135 .1957 -.3360 |
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O3 .8065 .2987 .1900 |
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O4 .1485 .1877 .3050 |
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O5 -.2535 0 -.2430 |
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O6 -.0635 0 -.4080 |
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O7 .7440 .1150 .3125 |
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O8 .1435 0 .3690 |
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O9 .3060 .1302 -.2920 |
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O10 .0015 .1090 -.6015 |
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O11 .6435 .1177 .8830 |
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O12 .4240 .1282 .0820 |
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O13 .5880 .1430 .4970 |
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O14 .3860 0 .2780 |
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|
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