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Lakebogaite |
| |
Mills S J, Birch W D, Kolitsch U, Mumme W G, Grey I E |
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American Mineralogist 93 (2008) 691-697 |
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Lakebogaite, CaNaFe3+2H(UO2)2(PO4)4(OH)2(H2O)8, a new uranyl phosphate with a |
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unique crystal structure from Victoria, Australia |
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Locality: Upper Devonian granite, near Lake Boga, northern Victoria, Australia |
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_database_code_amcsd 0004567 |
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19.6441 7.0958 18.7029 90 115.692 90 Cc |
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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 .0322 .5094 .1651 .888 .006 .003 .011 .004 .000 .001 -.001 |
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U2 .9593 .5014 .8378 .016 .014 .025 .012 -.001 .008 -.002 |
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Fe1 .2471 .7326 .5022 .013 .012 .019 .011 -.001 .007 -.001 |
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Fe2 .2459 .2302 .5032 .91 .011 .009 .016 .010 .003 .005 -.001 |
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Al2 .2459 .2302 .5032 .09 .011 .009 .016 .010 .003 .005 -.001 |
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P1 .3711 .9773 .4742 .013 .011 .024 .004 .003 .005 .000 |
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P2 .6225 .9882 .5323 .011 .007 .020 .007 .003 .004 .002 |
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P3 .1521 .4703 .3417 .011 .004 .025 .004 -.002 .002 -.005 |
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P4 .8385 .4940 .6595 .017 .015 .022 .014 -.002 .006 -.003 |
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Ca1 .2678 .2311 .2990 .87 .014 .016 .017 .017 .005 .013 .000 |
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Na1 .2678 .2311 .2990 .13 .014 .016 .017 .017 .005 .013 .000 |
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Na2 .7159 .7405 .6913 .036 .032 .035 .048 .012 .024 .019 |
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O1 .3370 .1460 .4967 .019 |
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O2 .4463 .9223 .5409 .016 |
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O3 .3165 .8069 .4528 .018 |
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O4 .3798 .0352 .3975 .017 |
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O5 .6102 .9406 .6038 .018 |
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O6 .6537 .8158 .5098 .023 |
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O7 .6750 .1568 .5499 .016 |
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O8 .5460 .0415 .4624 .027 |
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O9 .1645 .4920 .2675 .013 |
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O10 .1749 .6433 .3953 .014 |
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O11 .1981 .2967 .3868 .017 |
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O12 .0650 .4359 .3097 .014 |
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O13 .8188 .3206 .6110 .022 |
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O14 .7908 .6620 .6195 .019 |
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O15 .9251 .5329 .6925 .015 |
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O16 .8321 .4603 .7399 .019 |
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O17 .0360 .7502 .1870 .025 |
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O18 .0292 .2606 .1454 .021 |
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O19 .9526 .7509 .8460 .036 |
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O20 .9656 .2492 .8259 .033 |
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OH1 .2918 .4809 .5284 .018 |
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OH2 .1971 .9798 .4733 .017 |
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Wat1 .3490 .4715 .3907 .048 |
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Wat2 .2112 .9241 .3021 .031 |
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Wat3 .2958 .4679 .2152 .046 |
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Wat4 .1706 .1125 .1614 .044 |
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Wat5 .5519 .4796 .4587 .011 |
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Wat6 .4546 .5083 .5248 .057 |
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Wat7 .4160 .4894 .6819 .024 |
|
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Kintoreite |
 |
Grey I E, Mumme W G, Mills S J, Birch W D, Wilson N C |
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American Mineralogist 94 (2009) 676-683 |
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The crystal chemical role of Zn in alunite-type minerals: |
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Structure refinements for kintoreite and zincian kintoreite |
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Locality: Schone Aussicht mine, near Dernbach, Germany |
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_database_code_amcsd 0004931 |
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7.2963 7.2963 16.8491 90 90 120 R-3m |
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atom x y z occ Uiso |
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Pb .0537 0 0 1/6 .0196 |
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Fe .5 0 .5 .0094 |
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P 0 0 .3148 .0088 |
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O1 0 0 .5954 .0135 |
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O2 .2193 -.2193 -.0516 .0173 |
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O3 .1272 -.1272 .1324 .0093 |
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H .184 -.184 .100 .03 |
|
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Kintoreite |
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Grey I E, Mumme W G, Mills S J, Birch W D, Wilson N C |
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American Mineralogist 94 (2009) 676-683 |
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The crystal chemical role of Zn in alunite-type minerals: |
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Structure refinements for kintoreite and zincian kintoreite |
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Locality: Kintore mine at Broken Hill, New South Wales |
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_database_code_amcsd 0004932 |
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7.3789 7.3789 16.8552 90 90 120 R-3m |
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atom x y z occ Uiso |
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Pb .0630 0 0 1/6 .0313 |
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Fe .5 0 .5 .0133 |
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Zn .0653 -.0653 .4954 .0517 .025 |
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PX 0 0 .31364 .54 .0102 |
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SX 0 0 .31364 .08 .0102 |
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AsX 0 0 .31364 .383 .0102 |
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O1 0 0 .5937 .024 |
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O2 .2158 -.2158 -.0534 .0193 |
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OH3 .1272 -.1272 .1330 .0153 |
|
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| Download AMC data (View Text File)
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Joelbruggerite |
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Mills S J, Kolitsch U, Miyawaki R, Groat L A, Poirier G |
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American Mineralogist 94 (2009) 1012-1017 |
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Joelbruggerite, Pb3Zn3(Sb,Te)As2O13(OH,O), the Sb5+ analog of dugganite, |
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from the Black Pine mine, Montana |
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Locality: the Black Pine mine, Montana, USA |
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_database_code_amcsd 0004959 |
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8.4803 8.4803 5.2334 90 90 120 P321 |
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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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Pb .40396 0 0 .0261 .0309 .0270 .0191 .0135 -.00121 -.0024 |
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Sb 0 0 0 .57 .0182 .0226 .0226 .0093 .0113 0 0 |
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Te 0 0 0 .43 .0182 .0226 .0226 .0093 .0113 0 0 |
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Zn 0 -.2450 .5 .0248 .0215 .0333 .0158 .0107 -.0003 -.0001 |
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As 1/3 2/3 .4738 .0215 .0188 .0188 .0270 .0094 0 0 |
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O1 -.127 -.2180 .212 .040 .043 .043 .030 .018 -.001 .012 |
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O2 -.202 -.460 .669 .055 .056 .055 .038 .015 .007 .000 |
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O3 1/3 2/3 -.204 .023 .024 .024 .021 .012 0 0 |
|
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| Download AMC data (View Text File)
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Anthoinite |
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Grey I E, Madsen I C, Mills S J, Hatert F, Peterson V K, Bastow T J |
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American Mineralogist 95 (2010) 639-645 |
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A new type of cubic-stacked layer structure in anthoinite, AlWO3(OH)3 |
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Locality: Mt Misobo Mine, Democratic Republic of the Congo |
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_database_code_amcsd 0018557 |
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8.196 9.187 11.316 92.82 94.08 90.23 I-1 |
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atom x y z occ Biso |
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Al1 .759 .4972 .8687 .685 2.19 |
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W1 .759 .4972 .8687 .315 2.19 |
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W2 .0477 .2475 .7542 .70 2.19 |
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Al2 .0477 .2475 .7542 .30 2.19 |
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Al3 .450 .254 .233 .875 2.19 |
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W3 .450 .254 .233 .125 2.19 |
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W4 .2408 .5139 .6304 .78 2.19 |
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Al4 .2408 .5139 .6304 .22 2.19 |
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O1 .751 .625 .707 2.02 |
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O2 .222 .107 .708 2.02 |
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O3 .897 .827 .590 2.02 |
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O4 .432 .173 .900 2.02 |
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O5 .571 .104 .188 2.02 |
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O6 .420 .626 .688 2.02 |
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O7 .417 .614 .200 2.02 |
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O8 .415 .886 .323 2.02 |
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O9 .391 .355 .610 2.02 |
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O10 .419 .167 .405 2.02 |
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O11 .305 .964 .535 2.02 |
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O12 .743 .407 .517 2.02 |
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H1 .205 .055 .649 .74 .95 |
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H2A .424 .266 .030 .67 .95 |
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H2B .415 .345 .018 .33 .95 |
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H3 .239 .059 .164 .95 |
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H4 .996 .417 .597 .95 |
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H5A .297 .909 .086 .53 .95 |
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H5B .295 .992 .054 .47 .95 |
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H5C .228 .786 .002 .53 .95 |
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H6 .099 .285 .027 .63 .95 |
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H7 .900 .419 .007 .50 .95 |
|
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| Download AMC data (View Text File)
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|
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Ottoite |
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Kampf A R, Housley R M, Mills S J, Marty J, Thorne B |
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American Mineralogist 95 (2010) 1329-1336 |
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Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
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I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra |
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Locality: Otto Mountain, Baker, California, USA |
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_database_code_amcsd 0017558 |
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7.5353 5.7142 10.8981 90 91.330 90 I2/a |
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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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Pb .34125 .00490 .33909 .0125 .0089 .0134 .0152 .0010 -.0003 .0012 |
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Te .5 .5 .5 .0063 .0052 .0069 .0069 -.0002 .0008 .0007 |
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O1 .5726 .7973 .4417 .013 .010 .008 .021 -.002 -.002 .010 |
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O2 .4653 .3854 .3373 .014 .016 .020 .006 -.007 .000 -.003 |
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O3 .25 .6256 .5 .010 .002 .010 .017 .000 .002 .000 |
|
|
| Download AMC data (View Text File)
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|
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Markcooperite |
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Kampf A R, Mills S J, Housley R M, Marty J, Thorne B |
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American Mineralogist 95 (2010) 1554-1559 |
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Lead-tellurium oxysalts from Otto Mountain near Baker, California: IV. |
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Markcooperite, Pb(UO2)Te6+O6, the first natural uranyl tellurate |
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Locality: Otto Mountain, Baker, California |
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_database_code_amcsd 0017720 |
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5.722 7.7478 7.889 90 90.833 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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Pb .4972 .1689 .6919 .0531 .044 .051 .064 -.003 -.003 .002 |
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U1 0 0 0 .75 .0386 .035 .039 .042 .003 .003 .002 |
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Te1 0 0 0 .25 .0386 .035 .039 .042 .003 .003 .002 |
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Te2 0 .5 0 .0339 .029 .034 .039 -.003 -.001 .002 |
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O1 .699 -.068 -.061 .054 .05 .05 .07 .01 -.03 .01 |
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O2 -.137 .234 .505 .038 .06 .02 .03 .00 -.02 .00 |
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O3 .295 .085 .429 .045 .02 .05 .06 .00 .00 .03 |
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O4 -.114 .532 -.237 .040 .03 .02 .07 -.00 -.01 .01 |
|
|
| Download AMC data (View Text File)
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|
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Timroseite |
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Kampf A R, Mills S J, Housley R M, Marty J, Thorne B |
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American Mineralogist 95 (2010) 1560-1568 |
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Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. |
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Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, |
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Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets |
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Locality: Otto Mountain, Baker, California |
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_database_code_amcsd 0017721 |
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5.2000 9.6225 11.5340 90 90 90 P2_1nm |
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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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Pb1 .1230 .0356 0 .94 .0229 .0198 .0213 .0277 .0041 0 0 |
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Pb1a .125 .077 0 .09 .060 .11 .037 .035 .032 0 0 |
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Pb2 .3820 .38682 .5 .84 .0208 .0170 .0178 .0277 .0013 0 0 |
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Pb2a .279 .396 .5 .17 .062 .07 .075 .045 -.018 0 0 |
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Cu1 .6694 .89920 .18488 .0146 .0131 .0093 .0214 .0003 .0017 -.0021 |
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Cu2 .7204 .59878 .32206 .0155 .0136 .0108 .0220 -.0026 .0036 -.0022 |
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Cu3 .1304 .7144 .5 .0222 .0194 .0267 .0204 .0026 0 0 |
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Te .2005 .74917 .24990 .0122 .0109 .0092 .0165 -.0004 .0001 .0003 |
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O1 .3817 .6747 .3817 .0160 .006 .021 .021 .009 .004 .001 |
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O2 .0013 .8259 .1236 .0143 .015 .014 .014 -.005 -.005 .006 |
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O3 .3533 .9309 .2788 .0189 .021 .010 .025 -.004 -.005 -.002 |
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O4 .9192 .7716 .3612 .0135 .010 .014 .016 -.006 -.003 .002 |
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O5 .0365 .5718 .2178 .0160 .011 .006 .031 .005 .008 -.001 |
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O6 .5044 .7173 .1587 .018 .022 .005 .026 -.005 .007 -.009 |
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OH1 .530 .9473 0 .021 .017 .023 .023 .002 0 0 |
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OH2 .798 .5066 .5 .024 .010 .040 .022 .003 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Paratimroseite |
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Kampf A R, Mills S J, Housley R M, Marty J, Thorne B |
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American Mineralogist 95 (2010) 1560-1568 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. |
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Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, |
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Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets |
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Locality: Otto Mountain, Baker, California |
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_database_code_amcsd 0017722 |
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5.1943 9.6198 11.6746 90 90 90 P2_12_12_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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Pb .48658 .37646 .71849 .0199 .0182 .0224 .0192 .0012 .0004 .0041 |
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Cu1 .3802 .6442 .5457 .0148 .0090 .0157 .0196 .0007 -.0011 .0012 |
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Cu2 .4205 .3513 .4222 .0145 .0090 .0159 .0184 -.0012 -.0015 .0005 |
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Te .8986 .49499 .49034 .0124 .0100 .0117 .0155 .0000 -.0003 -.0003 |
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O1 .608 .5291 .3914 .016 .018 .015 .016 -.007 -.012 .002 |
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O2 .195 .4730 .5870 .012 |
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O3 .544 .8222 .5322 .023 |
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O4 .741 .3179 .5188 .022 .018 .007 .041 -.010 .003 .005 |
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O5 .415 .5715 .8624 .017 .007 .032 .012 .000 .000 -.003 |
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O6 .696 .5660 .6193 .019 .018 .028 .011 .001 .010 -.002 |
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Wat .473 .7477 .2604 .024 .043 .008 .020 -.003 .008 -.005 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Telluroperite |
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Kampf A R, Mills S J, Housley R M, Marty J, Thorne B |
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American Mineralogist 95 (2010) 1569-1573 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
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VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite |
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Locality: Otto Mountain, Baker, California |
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_database_code_amcsd 0017747 |
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5.5649 5.5565 12.4750 90 90 90 Bmmb |
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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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Pb1 0 .25 .3892 .021 .016 .018 .028 0 0 0 |
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Pb2 0 .25 .0961 .50 .025 .013 .010 .052 0 0 0 |
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Te2 0 .25 .0961 .50 .025 .013 .010 .052 0 0 0 |
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O .763 0 0 .018 .016 .021 .018 0 0 -.001 |
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Cl 0 .25 .7473 .013 .019 .018 .000 0 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Stichtite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
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Raudsepp M, Francis C A |
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American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
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nature of polytypism in MgCr hydrotalcites |
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Note: 3R1 polytype of stichtite |
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Locality: Tasmania, Australia |
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_database_code_amcsd 0018330 |
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3.09552 3.09552 23.5042 90 90 120 R-3m |
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atom x y z occ Biso |
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Mg 0 0 0 .77 .16 |
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Cr 0 0 0 .23 .16 |
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O1 1/3 2/3 .37268 .04 |
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H1 1/3 2/3 .41108 .04 |
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Wat2 .1242 -.1242 .5 .102 .02 |
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CO3 1/3 2/3 .5 .059 .02 |
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O3 1/3 2/3 .5 .177 .02 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Stichtite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
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Raudsepp M, Francis C A |
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American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: Sample 84588, 2H1 polytype of stichtite = barbertonite |
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Locality: Barberton, South Africa |
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_database_code_amcsd 0018331 |
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3.09689 3.09689 15.6193 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Mg 0 0 0 .75 .8 |
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Cr 0 0 0 .25 .8 |
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O1 1/3 2/3 .0650 .64 |
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H1 1/3 2/3 .131 .64 |
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Wat2 .23 -.23 .25 .204 .64 |
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CO3 1/3 2/3 .25 .124 .64 |
|
O3 1/3 2/3 .25 .372 .64 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Stichtite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: Sample 92459, 2H1 polytype of stichtite = barbertonite |
|
Locality: Barberton, South Africa |
|
_database_code_amcsd 0018332 |
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3.09646 3.09646 15.627 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
|
Mg 0 0 0 .81 1.62 |
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Cr 0 0 0 .19 1.62 |
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O1 1/3 2/3 .0589 1.7 |
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H1 1/3 2/3 -.007 1.7 |
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Wat2 .23 -.23 .25 .204 1.7 |
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CO3 1/3 2/3 .25 .097 1.7 |
|
O3 1/3 2/3 .25 .291 1.7 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Barbertonite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: Sample 84588, 2H1 polytype of stichtite |
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Locality: Barberton, South Africa |
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_database_code_amcsd 0018333 |
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3.09689 3.09689 15.6193 90 90 120 P6_3/mmc |
|
atom x y z occ Biso |
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Mg 0 0 0 .75 .8 |
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Cr 0 0 0 .25 .8 |
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O1 1/3 2/3 .0650 .64 |
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H1 1/3 2/3 .131 .64 |
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Wat2 .23 -.23 .25 .204 .64 |
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CO3 1/3 2/3 .25 .124 .64 |
|
O3 1/3 2/3 .25 .372 .64 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Barbertonite |
|
Mills S J, Whitfield P S, Wilson S A, Woodhouse J N, Dipple G M, |
|
Raudsepp M, Francis C A |
| |
American Mineralogist 96 (2011) 179-187 |
|
The crystal structure of stichtite, re-examination of barbertonite, and the |
|
nature of polytypism in MgCr hydrotalcites |
|
Note: Sample 92459, 2H1 polytype of stichtite |
|
Locality: Barberton, South Africa |
|
_database_code_amcsd 0018334 |
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3.09646 3.09646 15.627 90 90 120 P6_3/mmc |
|
atom x y z occ Biso |
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Mg 0 0 0 .81 1.62 |
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Cr 0 0 0 .19 1.62 |
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O1 1/3 2/3 .0589 1.7 |
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H1 1/3 2/3 -.007 1.7 |
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Wat2 .23 -.23 .25 .204 1.7 |
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CO3 1/3 2/3 .25 .097 1.7 |
|
O3 1/3 2/3 .25 .291 1.7 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rankamaite |
|
Atencio D, Contreira R R, Mills S J, Coutinho J M V, |
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Honorato S B, Ayala A P, Ellena J, De Andrade M B |
| |
American Mineralogist 96 (2011) 1455-1460 |
|
Rankamaite from the Urubu pegmatite, Itinga, Minas Gerais, |
|
Brazil: Crystal chemistry and Rietveld refinement |
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Note: Identification of OH not reported |
|
Locality: Urubu pegmatite, Itinga, Minas Gerais, Brazil |
|
_database_code_amcsd 0018556 |
|
17.224 17.687 3.9361 90 90 90 C222 |
|
atom x y z occ Biso |
|
K1 .8322 0 .5 .63 4.5 |
|
Na2 .4990 0 .5 .43 4.5 |
|
Na3 .25 .25 .5 .68 4.5 |
|
Ta1 0 0 0 .71 2 |
|
Nb1 0 0 0 .29 2 |
|
Ta2 0 .67188 0 .72 2 |
|
Nb2 0 .67188 0 .28 2 |
|
Ta3 .18037 .39406 0 .85 2 |
|
Al3 .18037 .39406 0 .15 2 |
|
Ta4 .11190 .82225 0 .89 2 |
|
Nb4 .11190 .82225 0 .11 2 |
|
O1 .3235 .1061 .5 1 |
|
O2 .6165 .6777 .5 1 |
|
O3 .1376 .2915 0 1 |
|
O4 .0711 .5780 0 1 |
|
O5 .2790 .3377 0 1 |
|
O6 .1103 .9442 0 1 |
|
O7 0 .3334 .5 1 |
|
O8 0 .2011 0 1 |
|
O9 .7108 0 0 1 |
|
O10 0 0 .5 1 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Kuksite |
|
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M |
| |
American Mineralogist 95 (2010) 933-938 |
|
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, |
|
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 |
|
Locality: Black Pine mine, NW of Philipsburg, Granite County, Montana, USA |
|
_database_code_amcsd 0005047 |
|
8.392 8.392 5.204 90 90 120 P321 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .40881 0 0 .0295 .0322 .0299 .0255 .01497 .00031 .0006 |
|
Te 0 0 0 .0224 .0254 .0254 .0164 .0127 0 0 |
|
Zn 0 -.2478 .5 .0260 .0232 .0314 .0208 .0116 .0023 .0012 |
|
P 1/3 2/3 .5314 .797 .0261 .0264 .0264 .026 .0132 0 0 |
|
As 1/3 2/3 .5314 .202 .0261 .0264 .0264 .026 .0132 0 0 |
|
O1 -.1224 -.2161 .7878 .036 .038 .040 .027 .017 .005 -.015 |
|
O2 .5251 -.1969 .6560 .056 .037 .067 .026 -.001 .009 -.009 |
|
O3 1/3 2/3 .238 .038 .035 .035 .042 .018 0 0 |
|
|
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|
| |
|
Kuksite |
|
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M |
| |
American Mineralogist 95 (2010) 933-938 |
|
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, |
|
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 |
|
Locality: Blue Bell claims, Baker, San Bernardino County, California, USA |
|
_database_code_amcsd 0005048 |
|
8.3942 8.3942 5.1847 90 90 120 P321 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .4087 0 0 .0307 .0316 .0409 .0228 .0205 .0016 .0032 |
|
Te 0 0 0 .0194 .0248 .0248 .0086 .0124 0 0 |
|
Zn 0 -.2509 .5 .0214 .0229 .0249 .0156 .0114 .0011 -.0005 |
|
P 1/3 2/3 .5329 .67 .022 .020 .020 .024 .010 0 0 |
|
As 1/3 2/3 .5329 .33 .022 .020 .020 .024 .010 0 0 |
|
O1 -.1229 -.2174 .7884 .034 .032 .041 .030 .018 -.001 -.007 |
|
O2 .5224 -.2023 .6613 .064 .046 .060 .051 .001 .004 -.006 |
|
O3 1/3 2/3 .2456 .038 .039 .039 .035 .020 0 0 |
|
|
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|
| |
|
Yafsoanite |
|
Mills S J, Kampf A R, Kolitsch U, Housley R M, Raudsepp M |
| |
American Mineralogist 95 (2010) 933-938 |
|
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, |
|
and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 |
|
Locality: Delbe orebody, Aldan Shield, Saha Republic, Russia |
|
_database_code_amcsd 0005049 |
|
12.6350 12.6350 12.6350 90 90 90 Ia3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .25 .125 .912 .0179 .0160 .0160 .0217 .0034 0 0 |
|
Pb 0 .25 .125 .088 .0179 .0160 .0160 .0217 .0034 0 0 |
|
Te 0 0 0 .0097 .0097 .0097 .0097 .0007 .0007 .0007 |
|
Zn 0 .25 .375 .957 .0131 .0141 .0141 .0111 0 0 0 |
|
O -.0273 .0489 .1419 .0149 .012 .017 .016 .000 .003 -.001 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bariopharmacosiderite |
| |
Hager S L, Leverett P, Williams P A, Mills S J, |
|
Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
| |
The Canadian Mineralogist 48 (2010) 1477-1485 |
|
The single-crystal X-ray structures of bariopharmacosiderite-C, |
|
bariopharmacosiderite-Q and natropharmacosiderite |
|
Note: sample Bariopharmacosiderite-Q |
|
Locality: Sunny Corner mine, Sunny Corner, New South Wales, Australia |
|
7.947 7.947 8.049 90 90 90 P-42m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .5 .5 0 .50 .0330 .033 .033 .033 0 0 0 |
|
Fe .1422 .1422 .1437 .0078 .0064 .0064 .0110 -.0004 -.0004 -.0004 |
|
Oh2 .8858 .8858 .8868 .011 .014 .014 .007 -.001 -.001 -.001 |
|
As1 0 0 .5 .0112 .0110 .0110 .012 0 0 0 |
|
As2 .5 0 0 .0148 .0077 .019 .0175 0 0 0 |
|
O1A .1248 .1248 .3830 .016 .016 .016 .015 -.002 .000 .000 |
|
O1B .1252 .3855 .1214 .012 .014 .004 .016 -.002 -.004 .002 |
|
H .828 .828 .821 .020 |
|
Wat1A .333 .333 .740 .50 .017 |
|
Wat1B .326 .255 .673 .145 .015 |
|
Wat2A .5 0 .5 .70 .020 |
|
Wat2B .160 .5 .5 .30 .022 |
|
Wat2C .5 .5 .129 .20 .016 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bariopharmacosiderite |
| |
Hager S L, Leverett P, Williams P A, Mills S J, |
|
Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
| |
The Canadian Mineralogist 48 (2010) 1477-1485 |
|
The single-crystal X-ray structures of bariopharmacosiderite-C, |
|
bariopharmacosiderite-Q and natropharmacosiderite |
|
Note: sample Bariopharmacosiderite-C |
|
Locality: Robinson's Reef, Clunes, Victoria, Australia |
|
7.942 7.942 7.942 90 90 90 P-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
BaBa 0 .5 .5 .156 .016 |
|
KBa 0 .5 .5 .013 .016 |
|
NaBa 0 .5 .5 .007 .016 |
|
FeFe .1431 .1431 .1431 .99 .016 .016 .016 .016 -.0018 -.0018 -.0018 |
|
AlFe .1431 .1431 .1431 .01 .016 .016 .016 .016 -.0018 -.0018 -.0018 |
|
Oh2 .888 .888 .888 .010 .010 .010 .010 .000 .000 .000 |
|
AsAs .5 0 0 .72 .019 .008 .025 .025 0 0 0 |
|
PAs .5 0 0 .28 .019 .008 .025 .025 0 0 0 |
|
O1 .124 .387 .124 .031 .029 .036 .036 .003 .003 .005 |
|
H .831 .831 .831 .014 |
|
Wat1 .688 .688 .688 .18 .03 |
|
Wat2 .198 .5 .5 .3 .03 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Natropharmacosiderite |
|
Hager S L, Leverett P, Williams P A, Mills S J, |
|
Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
| |
The Canadian Mineralogist 48 (2010) 1477-1485 |
|
The single-crystal X-ray structures of bariopharmacosiderite-C, |
|
bariopharmacosiderite-Q and natropharmacosiderite |
|
Locality: Gold Hill mine, Utah, USA |
|
7.928 7.928 7.928 90 90 90 P-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaNa .050 .5 .5 .125 .023 |
|
KNa .050 .5 .5 .023 .023 |
|
BaNa .050 .5 .5 .018 .023 |
|
Fe .1429 .1429 .1429 .0229 .0229 .0229 .0229 -.0001 -.0001 -.0001 |
|
As .5 0 0 .0201 .0163 .0220 .0220 0 0 0 |
|
O1 .1261 .1261 .3826 .026 .029 .029 .019 -.010 .002 .002 |
|
Oh2 .8861 .8861 .8861 .018 .018 .018 .018 .001 .001 .001 |
|
H .8283 .8283 .8283 .021 |
|
Wat3 .692 .692 .692 .5 .041 |
|
Wat4 .130 .5 .5 .33 .037 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Zippeite |
|
Plasil J, Mills S J, Fejfarova K, Dusek M, Novak M, Skoda R, Cejka J, Sejkora J |
| |
The Canadian Mineralogist 49 (2011) 1089-1103 |
|
The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4, |
|
from Jachymov, Czech Republic |
|
Locality: Jachymov, Czech Republic |
|
_database_code_amcsd 0018658 |
|
8.7802 13.9903 8.8630 90 104.524 90 C2/m |
|
atom x y z occ Uiso |
|
U .32998 .23438 .32576 .0279 |
|
S .5 .2579 0 .023 |
|
K1 .118 .5 .353 .24 .063 |
|
H1 .118 .5 .353 .04 .063 |
|
K2 -.067 .5 -.233 .68 .063 |
|
H2 -.067 .5 -.233 .04 .063 |
|
O1 .1233 .1800 .096 .031 |
|
O2 .435 .1961 .103 .032 |
|
O3 .303 .3556 .275 .041 |
|
O4 .353 .1107 .363 .039 |
|
O5 .102 .2369 .410 .5 .055 |
|
OH5 .102 .2369 .410 .5 .055 |
|
WatO6a .061 0 .300 .47 .047 |
|
WatO6b .074 0 .399 .53 .047 |
|
WatO7a .225 .5 -.011 .75 .055 |
|
WatO7b .334 .5 .015 .25 .055 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Brochantite |
|
Mills S J, Kampf A R, Pasero M, Merlino S |
| |
European Journal of Mineralogy 22 (2010) 453-457 |
|
Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype |
|
of brochantite |
|
Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite |
|
Locality: Douglas Hill mine, Yerington, Nevada, USA |
|
_database_code_amcsd 0018378 |
|
13.1117 9.8654 6.0307 90 103.255 90 P2_1/a |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .38150 .74087 .3167 .0077 .0108 .0072 .0054 -.0021 .0027 .0001 |
|
Cu2 .20272 .50997 .4761 .0095 .0117 .0091 .0075 -.0016 .0020 -.0007 |
|
Cu3 .20549 .50995 -.0217 .0082 .0095 .0077 .0077 -.0011 .0026 .0002 |
|
Cu4 .38001 .74252 .8146 .0085 .0123 .0081 .0054 -.0020 .0028 -.0010 |
|
S1 .1128 .8028 .1819 .0150 .0172 .0099 .0181 -.0008 .0046 .0010 |
|
O1 .4152 .8671 .5827 .0097 .012 .012 .006 .000 .004 .001 |
|
O2 .3444 .6181 .5506 .0126 .012 .012 .012 -.006 -.001 -.004 |
|
O3 .1368 .6048 .6938 .0194 .025 .035 .003 -.012 .011 -.005 |
|
O4 .2587 .4011 .2561 .026 .020 .048 .012 -.018 .008 -.005 |
|
O5 .3413 .6170 .0435 .0059 .007 .007 .005 .001 .004 .003 |
|
O6 .4087 .8678 .0800 .0075 .012 .008 .004 -.002 .004 .001 |
|
O7 .2228 .8594 .2394 .030 .020 .054 .016 .016 .002 .005 |
|
O8 .5577 .6496 .3665 .029 .011 .016 .058 .001 .005 .008 |
|
O9 .1185 .6500 .1867 .029 .035 .015 .032 -.010 .001 .001 |
|
O10 .5583 .6507 .9457 .031 .009 .016 .062 .000 -.003 -.006 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pb3Fe2(PO4)4(H2O) |
| |
Mills S J, Kolitsch U, Miyawaki R, Hatert F, Poirier G, Kampf A R, |
|
Matsubara S, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 595-604 |
|
Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure |
|
with double-strand chains |
|
Locality: synthetic |
|
T = 220 C |
|
_database_code_amcsd 0017730 |
|
9.0440 9.0440 16.766 90 90 90 P4_12_12 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .13213 .13213 0 .01348 .0132 .0132 .0140 -.0026 .00283 -.00283 |
|
Pb2 .07837 .34364 .26523 .02156 .0256 .0270 .0121 -.0060 -.0006 .0007 |
|
Fe .5003 .25894 .12075 .0047 .0040 .0066 .0033 -.0003 .0001 -.0004 |
|
P1 .2283 .4920 .07791 .0069 .0059 .0114 .0034 .0021 .0008 -.0007 |
|
P2 .4681 .2687 .31889 .0074 .0139 .0021 .0063 -.0022 .0008 .0001 |
|
O1 .5226 .2219 .2380 .017 .021 .025 .004 -.002 .001 -.001 |
|
O2 .1025 .3816 .0675 .0143 .008 .017 .018 -.004 -.002 -.006 |
|
O3 .3401 .3772 .3149 .018 .027 .012 .015 .011 .004 .000 |
|
O4 .3589 .4244 .1252 .0102 .009 .012 .009 .007 -.006 -.003 |
|
O5 .0960 .1684 .3809 .0106 .010 .014 .008 .009 .002 .002 |
|
O6 .4234 .1281 .3665 .0074 .011 .006 .005 -.001 .000 .003 |
|
O7 .2169 .0449 .2528 .0157 .016 .025 .006 .001 .004 .005 |
|
O8 .3245 .1219 .1190 .013 .009 .010 .018 -.007 -.002 .003 |
|
Wat -.150 .082 .2375 .5 .010 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Arsenoflorencite-(La) |
| |
Mills S J, Kartashov P M, Kampf A R, Raudsepp M |
| |
European Journal of Mineralogy 22 (2010) 613-621 |
|
Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation: |
|
description and crystal structure |
|
Locality: Grubependity Lake cirque, Prepolar Ural, Komi Republic, Russia |
|
_database_code_amcsd 0017090 |
|
7.0316 7.0316 16.5151 90 90 120 R-3m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La 0 0 0 .00728 .00815 .00815 .00555 .00408 0 0 |
|
Al .5 0 .5 .0055 .0057 .0044 .0060 .0022 .00004 .0001 |
|
As 0 0 .31492 .00478 .00472 .00472 .00488 .00236 0 0 |
|
O1 0 0 .58543 .0113 .0117 .0117 .0105 .0059 0 0 |
|
O2 .20482 -.20482 -.05460 .0100 .0117 .0117 .0090 .0078 .0005 .0005 |
|
O3 .12273 -.12273 .13701 .0084 .0071 .0071 .0113 .0037 .0008 .0008 |
|
H .194 -.194 .122 .048 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Afmite |
| |
Kampf A R, Mills S J, Rossman G R, Steele I M, Pluth J J, Favreau G |
| |
European Journal of Mineralogy 23 (2011) 269-277 |
|
Afmite, Al3(OH)4(H2O)3(PO4)(PO3OH)*H2O,a new mineral from Fumade, Tarn, France: |
|
description and crystal structure |
|
Locality: Fumade, Tarn, France |
|
T = 298 K |
|
_database_code_amcsd 0018452 |
|
7.386 7.716 11.345 99.773 91.141 115.58 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .1864 .8305 .7126 .026 .031 .008 .035 .004 .004 .011 |
|
Al2 .2134 .4544 .6879 .024 .019 .031 .022 .011 .001 .007 |
|
Al3 .3042 .8575 .2972 .018 .012 .017 .022 .003 .004 .005 |
|
P1 .3282 .1414 .5440 .018 .017 .014 .022 .007 .001 .001 |
|
P2 .0633 .1507 .8565 .027 .022 .027 .029 .008 .006 .005 |
|
O1 .1858 .9718 .5971 .024 .014 .051 .018 .020 .010 .021 |
|
O2 .3240 .0802 .4091 .030 .010 .040 .031 .002 .011 .009 |
|
O3 .5444 .2156 .6007 .031 .048 .017 .034 .019 -.002 .003 |
|
O4 .2677 .3112 .5576 .022 .022 .032 .021 .019 -.011 .013 |
|
O5 .2163 .3095 .8013 .020 .029 .000 .031 .005 .005 .004 |
|
O6 .1041 .9730 .8389 .024 .030 .026 .032 .024 .011 .015 |
|
O7 .8437 .0943 .8169 .016 .010 .017 .032 .009 .016 .020 |
|
OH8 .1061 .2342 .9962 .021 .020 .015 .026 .005 -.001 .005 |
|
OH9 .2352 .6431 .6019 .027 .038 .032 .031 .032 .014 .006 |
|
OH10 .9288 .3042 .6407 .027 .021 .025 .027 .002 .010 .008 |
|
OH11 .1502 .6327 .8078 .022 .015 .013 .035 -.001 .002 .015 |
|
OH12 .4622 .9848 .7763 .034 .013 .030 .037 -.006 .014 -.003 |
|
Wat13 .5098 .6040 .7443 .027 .022 .035 .020 .012 -.003 .001 |
|
Wat14 .8918 .6597 .6523 .026 .018 .005 .038 -.011 .008 .004 |
|
Wat15 .2589 .6128 .1767 .029 .031 .026 .050 .027 .018 .022 |
|
Wat16 .4778 .7673 .9921 .052 .043 .048 .043 .001 .005 .005 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fluorocronite |
| |
Mills S J, Kartashov P M, Gamyanin G N, Whitfield P S, Kern A, |
|
Guerault H, Kampf A R, Raudsepp M |
| |
European Journal of Mineralogy 23 (2011) 695-700 |
|
Fluorocronite, the natural analogue of beta-PbF2, |
|
from the Sakha Republic, Russian Federation |
|
Locality: Kupol’noe deposit, Sarychev range, Sakha Republic, Russian Federation |
|
_database_code_amcsd 0018634 |
|
5.9306 5.9306 5.9306 90 90 90 Fm3m |
|
atom x y z |
|
Pb 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Diopside |
|
Mills S J, Groat L A |
| |
Australian Journal of Mineralogy 14 (2008) 43-45 |
|
The crystal structure of yellow aegirine-augite from Mount Anakie, Victoria |
|
Locality: Mount Anakie, Victoria, Australia |
|
_database_code_amcsd 0017815 |
|
9.663 8.813 5.2184 90 106.40 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaM2 0 .30145 .25 .58 .0105 .0130 .0073 .0077 0 -.0024 0 |
|
NaM2 0 .30145 .25 .42 .0105 .0130 .0073 .0077 0 -.0024 0 |
|
MgM1 0 .90291 .25 .50 .0073 .0066 .0076 .0066 0 .0003 0 |
|
Fe2+M1 0 .90291 .25 .08 .0073 .0066 .0076 .0066 0 .0003 0 |
|
Fe3+M1 0 .90291 .25 .42 .0073 .0066 .0076 .0066 0 .0003 0 |
|
Si .28799 .09194 .23092 .0057 .0057 .0055 .0053 -.00059 .0006 -.00021 |
|
O1 .1145 .08341 .1401 .0092 .0086 .0107 .0078 -.0001 .0015 -.0001 |
|
O2 .3599 .2528 .3112 .0108 .0138 .0075 .0105 -.0035 .0025 -.0010 |
|
O3 .35117 .0145 .0009 .0095 .0082 .0114 .0079 -.0008 .0004 -.0032 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Juabite |
|
Kampf A R, Mills S J |
| |
Journal of Geosciences 56 (2011) 235-247 |
|
The role of hydrogen in tellurites: crystal structure refinements of juabite, |
|
poughite and rodalquilarite |
|
Locality: Gold Chain mine, Tintic district, Juab County, Utah, USA |
|
_database_code_amcsd 0018499 |
|
8.9925 10.1291 8.9971 102.668 92.490 70.434 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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Ca .5 .5 0 .0174 .0275 .0112 .0096 -.0015 -.0006 .0021 |
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Cu1 .80847 .79847 .00221 .01053 .0082 .0178 .0067 -.0050 -.00123 .00412 |
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Cu2 .29631 .84151 .51172 .00956 .0071 .0152 .0086 -.0056 -.00175 .0044 |
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Cu3 .39218 .50715 .62469 .01284 .0124 .0114 .0135 -.0011 .0011 .0044 |
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Cu4 .68366 .84877 .62919 .01128 .0077 .0217 .0072 -.0073 -.00098 .0049 |
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Cu5 -.07412 .79869 .39124 .01257 .0085 .0242 .0073 -.0082 -.00112 .0039 |
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Te1 .45602 .83827 .84848 .01031 .01015 .01328 .00919 -.00540 .00061 .00333 |
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Te2 .12971 .83488 .17031 .01521 .01358 .02100 .01315 -.00748 .00011 .00520 |
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As1 .06582 .77050 .72526 .00865 .00636 .0130 .00751 -.00388 -.00038 .00318 |
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As2 .57354 .78999 .27256 .00731 .00623 .0102 .00642 -.00332 -.00031 .00284 |
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O1 .9360 .7964 .1772 .0163 .0098 .0325 .0104 -.0104 -.0028 .0076 |
|
O2 .9955 .8138 .9048 .0173 .0123 .036 .0066 -.0120 -.0002 .0050 |
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O3 .1835 .8663 .7093 .0134 .0109 .0192 .0120 -.0080 .0002 .0026 |
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O4 .1208 .8388 .3848 .0154 .0104 .0314 .0097 -.0114 -.0031 .0088 |
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O5 .6715 .8349 .8369 .0153 .0097 .0315 .0087 -.0091 -.0018 .0090 |
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O6 .9079 .8216 .6126 .0133 .0077 .0264 .0064 -.0059 -.0009 .0045 |
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O7 .4697 .8485 .6392 .0143 .0119 .0283 .0072 -.0104 -.0028 .0077 |
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O8 .3907 .5973 .4521 .0147 .0136 .0145 .0149 -.0028 -.0017 .0043 |
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H8 .316 .578 .394 .050 |
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O9 .3879 .8893 .3402 .0112 .0061 .0155 .0122 -.0024 .0002 .0054 |
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O10 .6056 .8444 .1173 .0126 .0095 .0204 .0100 -.0044 -.0007 .0082 |
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O11 .5985 .6138 .2261 .0145 .0188 .0111 .0151 -.0060 -.0001 .0047 |
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O12 .2642 .6526 .1042 .0306 .0201 .028 .032 .0003 .0017 -.0051 |
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O13 .1627 .5943 .6638 .0207 .0134 .0134 .034 -.0023 .0010 .0052 |
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O14 .7041 .8183 .4081 .0146 .0083 .0287 .0082 -.0088 -.0015 .0034 |
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OW15 .0394 .5528 .3541 .0405 .045 .028 .049 -.017 -.010 .005 |
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H15a -.035 .513 .335 .050 |
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H15b .088 .544 .439 .050 |
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OW16 .8644 .5590 .9418 .0489 .048 .024 .067 -.010 -.003 .000 |
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H16a .786 .533 .965 .050 |
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H16b .885 .537 .841 .050 |
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O17 .4873 .6464 .8254 .0182 .0255 .0148 .0173 -.0095 -.0030 .0054 |
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Poughite |
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Kampf A R, Mills S J |
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Journal of Geosciences 56 (2011) 235-247 |
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The role of hydrogen in tellurites: crystal structure refinements of juabite, |
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poughite and rodalquilarite |
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Locality: Tambo mine, Coquimbo Regioin, Chile |
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_database_code_amcsd 0018500 |
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9.6967 14.2676 7.8748 90 90 90 P2_1nb |
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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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Fe1 .78997 .01378 .05942 .0119 .0084 .0186 .0087 -.0009 -.0003 -.0001 |
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Fe2 .80679 .46555 .04731 .0112 .0095 .0145 .0096 -.0004 .0000 -.0010 |
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Te1 .49972 .40022 .21999 .01141 .0082 .0160 .0100 -.0007 -.0003 -.00041 |
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Te2 .07929 .09149 .21520 .01157 .0085 .0165 .0097 -.0011 -.0003 .00034 |
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S1 .71579 .17290 .3354 .0132 .0138 .0132 .0124 .0013 .0034 .0006 |
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OW1 .8956 .3372 .0717 .0230 .025 .021 .022 .010 .005 .002 |
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H1a .860 .288 .123 .050 |
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H1b .950 .322 -.014 .050 |
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OW2 .3707 .1154 .0282 .0251 .035 .014 .026 -.002 -.012 .002 |
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H2a .367 .169 -.025 .050 |
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H2b .423 .117 .120 .050 |
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O3 .9178 .0193 .2609 .0121 .004 .021 .011 -.004 -.001 .001 |
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O4 .6851 .4385 .2651 .0106 .008 .017 .007 -.001 .000 -.002 |
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O5 .4276 .0137 .3607 .0162 .013 .023 .013 .009 .001 .002 |
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O6 .1447 .0859 .4401 .0127 .008 .022 .008 .004 .002 -.003 |
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O7 .4414 .4193 .4451 .0176 .017 .026 .010 .003 .007 -.001 |
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O8 .1707 .4865 .3698 .0169 .011 .028 .012 .001 -.002 .003 |
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O9 .7196 .0980 .4630 .0174 .019 .020 .014 -.001 -.001 -.001 |
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O10 .6933 .1330 .1615 .0168 .018 .021 .011 .003 .001 .000 |
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O11 .8479 .2239 .3382 .0188 .022 .015 .019 -.006 -.001 .001 |
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O12 .6009 .2352 .3747 .0200 .016 .024 .021 .008 .008 .002 |
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OW13 .2140 .2845 .2844 .055 .097 .036 .031 -.001 -.022 .003 |
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H13a .231 .272 .391 .050 |
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H13b .166 .336 .271 .050 |
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Rodalquilarite |
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Kampf A R, Mills S J |
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Journal of Geosciences 56 (2011) 235-247 |
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The role of hydrogen in tellurites: crystal structure refinements of juabite, |
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poughite and rodalquilarite |
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Locality: Tambo mine, Coquimbo Regioin, Chile |
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_database_code_amcsd 0018501 |
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5.1129 6.6481 9.0079 73.347 78.053 76.709 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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Fe .27611 .85489 .55577 .00733 .00710 .00701 .00800 -.00156 -.00182 -.00139 |
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Te1 .12008 .34030 .68776 .00723 .00731 .00593 .00782 -.00083 -.00094 -.00117 |
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Te2 .33841 .16581 .16967 .00894 .00901 .01131 .00728 -.00404 -.00083 -.00208 |
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O1 .1934 .5929 .5382 .0096 .0151 .0058 .0088 -.0042 -.0034 -.0001 |
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O2 .3628 .1361 .5839 .0103 .0079 .0090 .0146 -.0027 .0031 -.0063 |
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O3 .4048 .3169 .8053 .0127 .0146 .0097 .0157 -.0026 -.0071 -.0022 |
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H3 .449 .441 .792 .031 |
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O4 .5437 .2849 .2623 .0130 .0177 .0108 .0128 -.0068 -.0080 .0007 |
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O5 .1128 .0390 .3549 .0088 .0079 .0102 .0070 -.0018 -.0004 -.0003 |
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O6 .0984 .4276 .1255 .0147 .0186 .0122 .0121 .0024 -.0072 -.0018 |
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H6 .06 .47 .028 .5 .06 |
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Cl 0 0 0 .0186 .0193 .0201 .0166 -.0101 -.0044 .0014 |
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Hydroniumpharmacosiderite |
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Mills S J, Hager S L, Leverett P, Williams P A, Raudsepp M |
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Mineralogical Magazine 74 (2010) 487-492 |
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The structure of H3O+ - exchanged pharmacosiderite |
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Locality: Gold Hill mine, Gold Hill, Tooele County, Utah, USA |
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_database_code_amcsd 0014603 |
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7.982 7.982 7.982 90 90 90 P-43m |
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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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Fe .1433 .1433 .1433 .0097 .0099 .0099 .0099 -.0004 -.0004 -.0004 |
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As .5 0 0 .0123 .0065 .0153 .0153 0 0 0 |
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O1 .1239 .1239 .3842 .019 .022 .022 .015 -.007 .001 .001 |
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O2 .8867 .8867 .8867 .005 .005 .005 .005 -.002 -.002 -.002 |
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O3 .5 .0500 .5 .5 .048 |
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O4 .6913 .6913 .6913 .5 .028 |
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O5 .5 .5 .5 .5 .035 |
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Pharmacosiderite |
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Mills S J, Hager S L, Leverett P, Williams P A, Raudsepp M |
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Mineralogical Magazine 74 (2010) 487-492 |
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The structure of H3O+ - exchanged pharmacosiderite |
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Locality: Cornwall, England |
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_database_code_amcsd 0014604 |
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7.980 7.980 7.980 90 90 90 P-43m |
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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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Fe .1429 .1429 .1429 .015 .015 .015 .015 -.002 -.002 -.002 |
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As .5 0 0 .023 .012 .029 .029 0 0 0 |
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O1 .1230 .1230 .3829 .025 |
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O2 .8868 .8868 .8868 .013 |
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O3 .5 .069 .5 .5 .057 |
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O4 .694 .694 .694 .5 .048 |
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Hydroniumpharmacosiderite |
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Mills S J, Kampf A R, Williams P A, Leverett P, Poirier G, Raudsepp M, Francis C A |
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Mineralogical Magazine 74 (2010) 863-869 |
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Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup |
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from Cornwall, UK: structure and description |
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Locality: Cornwall, UK |
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_database_code_amcsd 0017882 |
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7.9587 7.9587 7.9587 90 90 90 P-43m |
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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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K .5 .0 .5 .13 .046 |
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Fe .14345 .14345 .14345 .0123 .0123 .0123 .0123 -.0016 -.0016 -.0016 |
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As .5 .0 .0 .0208 .0070 .0277 .0277 0 0 0 |
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O1 .1245 .1245 .3837 .0265 .0338 .0338 .0118 -.008 -.0004 -.0004 |
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O2 .8857 .8857 .8857 .0116 .0116 .0116 .0116 -.0023 -.0023 -.0023 |
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Wat3 .5 .106 .5 .25 .050 |
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Wat4 .693 .693 .693 .25 .047 |
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H3O4 .693 .693 .693 .45 .047 |
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O4 .693 .693 .693 .15 .047 |
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H2 .8283 .8283 .8283 .014 |
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Konyaite |
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Mills S J, Wilson S A, Dipple G M, Raudsepp M |
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Mineralogical Magazine 74 (2010) 903-917 |
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The decomposition of konyaite: importance in CO2 fixation in mine tailings |
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Locality: synthetic |
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_database_code_amcsd 0017884 |
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5.7594 23.914 8.0250 90 95.288 90 P2_1/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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Na1 .27761 .45040 -.04907 .0240 .0281 .0207 .0218 -.0002 -.0057 -.0023 |
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Na2 -.31311 .44526 .34401 .0244 .0289 .0230 .0207 -.0015 -.0005 .0006 |
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Mg1 .03518 .64080 .31838 .01360 .0123 .0127 .0157 .0000 .0007 -.0006 |
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S1 .21295 .509125 .29840 .01293 .0129 .0113 .0144 .00049 .0004 -.00046 |
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S2 .49462 .332195 .17467 .01510 .0137 .0133 .0180 -.00028 -.0003 .00038 |
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O1 .2066 .56761 .3603 .0181 .0201 .0130 .0207 .0035 -.0015 -.0032 |
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O2 -.2828 .60147 .3067 .0176 .0133 .0187 .0208 -.0022 .0014 .0020 |
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O3 .0403 .62514 .0618 .0208 .0193 .0253 .0183 .0043 .0047 .0037 |
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O4 .3462 .68275 .3573 .0212 .0191 .0171 .0266 -.0029 -.0019 .0007 |
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O5 .2715 .47355 .4428 .0248 .0300 .0189 .0244 .0004 -.0035 .0082 |
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O6 .3943 .50444 .1832 .0229 .0213 .0250 .0237 -.0022 .0091 -.0066 |
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O7 -.0127 .49378 .2132 .0222 .0167 .0225 .0259 -.0030 -.0061 -.0009 |
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O8 -.1336 .71310 .2410 .0244 .0292 .0177 .0251 .0055 -.0046 -.0017 |
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O9 .0042 .65095 .5725 .0303 .0196 .0489 .0233 -.0117 .0058 -.0147 |
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O10 .6961 .29487 .1884 .0252 .0210 .0177 .0356 .0061 -.0045 -.0043 |
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O11 .2895 .30311 .0934 .0253 .0221 .0234 .0285 -.0076 -.0083 .0042 |
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O12 .5440 .38201 .0786 .0263 .0218 .0176 .0402 -.0004 .0064 .0102 |
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O13 .4449 .35015 .3428 .0283 .0215 .0439 .0194 .0056 .0014 -.0044 |
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H1 -.214 .7134 .143 .039 |
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H2 -.138 .6461 .607 .068 |
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H3 -.290 .5810 .391 .045 |
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H4 .180 .6215 .023 .047 |
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H5 .434 .6798 .460 .055 |
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H6 -.411 .6201 .297 .036 |
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H7 .065 .6791 .638 .071 |
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H8 -.178 .7398 .308 .060 |
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H9 .330 .7186 .349 .065 |
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H10 -.029 .6539 .004 .073 |
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Natropharmacoalumite |
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Rumsey M S, Mills S J, Spratt J |
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Mineralogical Magazine 74 (2010) 929-936 |
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Natropharmacoalumite, NaAl4[(OH)4(AsO4)3]*4H2O, a new mineral of the pharmacosiderite |
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supergroup and the renaming of aluminopharmacosiderite to pharmacoalumite |
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Locality: Maria Josefa Gold mine, Rodalquilar, Andalusia region, Spain |
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_database_code_amcsd 0017883 |
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7.7280 7.7280 7.7280 90 90 90 P-43m |
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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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Na .5 .052 .5 .095 .031 |
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K .5 .052 .5 .037 .031 |
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As1 .5 0 0 .0122 .0096 .0135 .0135 0 0 0 |
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Al1 .1391 .1391 .1391 .0114 .0114 .0114 .0114 .0016 .0016 .0016 |
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O1 .1266 .1266 .3758 .0148 .0171 .0171 .010 -.007 .0015 .0015 |
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O2 .8858 .8858 .8858 .013 .013 .013 .013 .002 .002 .002 |
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Wat3 .5 .122 .5 .482 .030 |
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O4 .685 .685 .685 .053 .047 |
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H34 .685 .685 .685 .158 .047 |
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H2 .8259 .8259 .8259 .016 |
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Munakataite |
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Kampf A R, Mills S J, Housley R M |
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Mineralogical Magazine 74 (2010) 991-998 |
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The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4, |
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from Otto Mountain, San Bernardino County, California, USA |
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Locality: Otto Mountain, San Bernardino County, California, USA |
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_database_code_amcsd 0018306 |
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9.802 5.675 9.281 90 102.443 90 P2_1/m |
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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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Pb1 .31694 .25 .41854 .976 .0219 .0208 .0198 .0232 0 .0008 0 |
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Pb2 .33579 .25 .97549 .958 .0329 .0195 .0331 .0436 0 .0010 0 |
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Cu .9886 -.0002 .24421 .947 .0148 .0221 .0079 .0137 -.0011 .0024 .0001 |
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Se .3597 .75 .2215 .85 .0174 .0190 .0146 .0191 0 .0054 0 |
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S .3597 .75 .2215 .15 .0174 .0190 .0146 .0191 0 .0054 0 |
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S .3349 .75 .6883 .0172 .016 .010 .026 0 .006 0 |
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O11 .376 .75 .0476 .045 .064 .049 .026 0 .020 0 |
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O12 .2514 .5148 .2152 .023 .019 .021 .027 -.002 .003 .003 |
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O21 .4828 .75 .7514 .028 .019 .039 .027 0 .009 0 |
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O22 .3154 .75 .5248 .035 .041 .062 .000 0 .001 0 |
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O23 .2690 .963 .7326 .031 .036 .026 .031 .008 .006 .006 |
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OH1 .0260 .75 .3883 .018 .017 .014 .019 0 -.004 0 |
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H1 .119 .75 .40 .050 |
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OH2 .0775 .25 .3780 .016 .023 .016 .008 0 .000 0 |
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H2 .06 .25 .470 .050 |
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OH3 .0529 .75 .8975 .019 .007 .021 .023 0 -.009 0 |
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H3 .141 .75 .95 .050 |
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OH4 .0881 .25 .8924 .019 .029 .024 .002 0 -.004 0 |
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H4 .07 .25 .984 .050 |
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Bariopharmacoalumite |
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Mills S J, Rumsey M S, Favreau G, Spratt J, Raudsepp M, Dini M |
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Mineralogical Magazine 75 (2011) 135-144 |
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Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile |
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Locality: Cap Garonne, France |
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_database_code_amcsd 0018374 |
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7.772 7.772 7.772 90 90 90 P-43m |
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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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As1 .5 0 0 .0315 .0258 .0344 .0344 0 0 0 |
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Al1 .1421 .1421 .1421 .78 .028 .028 .028 .028 -.0039 -.0039 -.0039 |
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Fe1 .1421 .1421 .1421 .22 .028 .028 .028 .028 -.0039 -.0039 -.0039 |
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O1 .1259 .3809 .1259 .038 .036 .036 .043 -.004 .004 .004 |
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O2 .8881 .8881 .8881 .026 |
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H2 .829 .829 .829 .031 |
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Ba1 0 .5 .5 .17 .049 |
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O3 .5 .120 .5 .19 .017 |
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O4 .686 .686 .686 .44 .051 |
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Bariopharmacoalumite |
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Mills S J, Rumsey M S, Favreau G, Spratt J, Raudsepp M, Dini M |
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Mineralogical Magazine 75 (2011) 135-144 |
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Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile |
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Locality: Mina Grande, Chile |
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_database_code_amcsd 0018375 |
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7.850 7.850 7.850 90 90 90 P-43m |
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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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As1 .5 0 0 .0237 .019 .0259 .0259 0 0 0 |
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Al1 .1427 .1427 .1427 .58 .0115 .0115 .0115 .0115 -.0017 -.0017 -.0017 |
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Fe1 .1427 .1427 .1427 .42 .0115 .0115 .0115 .0115 -.0017 -.0017 -.0017 |
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O1 .127 .393 .127 .040 .047 .026 .047 .001 .009 .001 |
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O2 .8878 .8878 .8878 .023 .023 .023 .023 -.006 -.006 -.006 |
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H2 .829 .829 .829 .028 |
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Ba1 0 .5 .5 .17 .031 |
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O3 .5 .137 .5 .2 .02 |
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O4 .690 .690 .690 .2 .02 |
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Nordgauite |
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Birch W D, Grey I E, Mills S J, Pring A, Bougerol C, Ribabldi-Tunnicliffe A, |
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Wilson N C, Keck E |
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Mineralogical Magazine 75 (2011) 269-278 |
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Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud |
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pegmatite, Bavaria, Germany: description and crystal structure |
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Locality: the Hagendorf-Sud pegmatite, Bavaria, Germany |
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_database_code_amcsd 0018376 |
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9.887 9.796 6.054 92.70 99.83 97.10 P-1 |
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atom x y z occ Uiso |
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Mn .5912 .4114 .3502 .87 .017 |
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Ca .5912 .4114 .3502 .07 .017 |
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Fe .5912 .4114 .3502 .04 .017 |
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Zn .5912 .4114 .3502 .01 .017 |
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Mg .5912 .4114 .3502 .01 .017 |
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P(1) .8916 .7300 .7074 .013 |
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P(2) .6689 .4390 .9183 .014 |
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Al(1) 0 .5 0 .011 |
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Al(2) 0 0 .5 .013 |
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Al(3) .7963 .7182 .1841 .012 |
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O(1) .7961 .6899 .4824 .016 |
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O(2) .7981 .7456 .8815 .014 |
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O(3) .9847 .8665 .6996 .016 |
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O(4) .9892 .6220 .7707 .015 |
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O(5) .8152 .4215 .8860 .016 |
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O(6) .6007 .3091 .0098 .019 |
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O(7) .5843 .4725 .6950 .017 |
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O(8) .6722 .5539 .1068 .015 |
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F(1) .9084 .8831 .2610 .020 |
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F(2) .9466 .6235 .1914 .016 |
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Ow1 .8239 .0576 .5524 .021 |
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Ow2 .6402 .8210 .1723 .018 |
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Ow3 .4573 .2194 .3759 .024 |
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Ow4 .7906 .3354 .4509 .020 |
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Ow5 .7476 .0746 .9839 .030 |
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H(11) .8100 .1390 .5140 .041 |
|
H(12) .8050 .0490 .6520 .060 |
|
H(21) .6560 .8950 .1310 .042 |
|
H(22) .5690 .7820 .1130 .025 |
|
H(31) .4420 .2000 .5120 .031 |
|
H(32) .3750 .2270 .2880 .070 |
|
H(41) .8520 .3490 .3580 .037 |
|
H(42) .8170 .3580 .5770 .049 |
|
H(51) .8380 .0890 10560 .047 |
|
H(52) .7240 .1590 .9950 .090 |
|
|
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|
| |
|
Iangreyite |
| |
Mills S J, Kampf A R, Sejkora J, Adams P M, Birch W D, Plasil J |
| |
Mineralogical Magazine 75 (2011) 327-336 |
|
Iangreyite: a new secondary phosphate mineral closely related to perhamite |
|
Locality: Silver Coin mine, Nevada, USA |
|
_database_code_amcsd 0018377 |
|
6.988 6.988 16.707 90 90 120 P321 |
|
atom x y z occ |
|
Ca1 0 0 0 |
|
Ca2 2/3 1/3 .316 .5 |
|
Al1 .166 1/3 .835 |
|
Al2 0 0 .5 |
|
P1 2/3 1/3 .020 |
|
P2 0 0 .295 |
|
O1 .429 .214 .052 |
|
O2 .240 .120 .268 |
|
O3 0 0 .389 |
|
OH1 1/3 2/3 .070 |
|
OH2 .253 0 .5 |
|
OH3 .126 .252 .131 |
|
OH4 .914 .457 .192 |
|
Wat1 1/3 2/3 .250 |
|
Wat2 .030 .515 .402 |
|
|
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|
| |
|
Auriacusite |
|
Mills S J, Kampf A R, Poirier G, Raudsepp M, Steele I M |
| |
Mineralogy and Petrology 99 (2010) 113-120 |
|
Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group, |
|
from the Black Pine mine, Montana, USA |
|
Locality: Black Pine mine, Montana, USA |
|
_database_code_amcsd 0014650 |
|
8.6235 8.2757 5.9501 90 90 90 Pnnm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeM .1188 .1373 .5 .55 .0157 .0089 .0064 .0318 .0000 0 0 |
|
CuM .1188 .1373 .5 .45 .0157 .0089 .0064 .0318 .0000 0 0 |
|
Cu 0 .5 .2491 .0054 .0081 .0059 .0021 .0024 0 0 |
|
As .2510 .2630 0 .0054 .0055 .0043 .0064 .0006 0 0 |
|
O1A .401 .396 -.051 .25 .001 |
|
O1B .387 .404 .078 .25 .001 |
|
O2 .0827 .3667 0 .0056 |
|
O3 .2670 .1480 .231 .026 |
|
O4 -.0971 .6243 .5 .0035 |
|
|
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|
| |
|
Plumboselite |
| |
Kampf A R, Mills S J, Pinch W W |
| |
Mineralogy and Petrology 101 (2011) 75-80 |
|
Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia |
|
Locality: Tsumeb, Namibia |
|
_database_code_amcsd 0018379 |
|
10.5384 10.7452 5.7577 90 90 90 Cmc2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .0 .8816 .814 .0204 .0197 .0162 .025 .0 .0 -.007 |
|
Pb2 .24794 .11233 .8125 .0199 .0200 .0207 .0190 -.0053 .006 .002 |
|
Se .5 .8698 .8652 .024 .000 .032 .041 .0 .0 .001 |
|
O1 .138 1.000 .048 .029 |
|
O2 .5 .723 .765 .015 |
|
O3 .624 .930 .717 .028 |
|
|
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|
| |
|
Schieffelinite |
|
Kampf A R, Mills S J, Housley R M, Rumsey M S, Spratt J |
| |
American Mineralogist 97 (2012) 212-219 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
|
VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, |
|
the chromate analog of schieffelinite |
|
Locality: Otto Mountain near Baker, California, USA |
|
_database_code_amcsd 0018765 |
|
9.6581 19.5833 10.5027 90 90 90 C222_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .5 .73650 .25 .0318 .0276 .0239 .0440 .000 .0057 .000 |
|
Pb2 .85073 .65799 .37439 .02931 .0267 .0246 .0366 -.0003 .0054 -.0003 |
|
Pb3 .78502 .84797 .49090 .03594 .0603 .0240 .0235 -.0046 -.0084 .0030 |
|
Te1 .5 .55838 .25 .0198 .0258 .0174 .0164 .000 .0006 .000 |
|
Te2 .84780 .79060 .15087 .0179 .0164 .0193 .0179 -.0008 -.0018 .0005 |
|
S .0640 .5036 .4652 .25 .044 |
|
O1 .6317 .6271 .2089 .024 .027 .022 .023 -.005 -.001 .012 |
|
OH2 .5713 .5540 .4240 .029 .039 .027 .022 -.004 -.006 -.001 |
|
OH3 .3724 .4866 .2976 .039 .043 .034 .041 -.020 -.003 -.010 |
|
O4 .9163 .7005 .1304 .023 .013 .025 .030 -.003 .000 .002 |
|
O5 .8153 .7347 .5610 .021 .015 .029 .019 -.005 .004 .003 |
|
O6 .7653 .7637 .3071 .023 .029 .026 .015 .004 -.005 .001 |
|
O7 .5580 .6813 .4976 .5 .024 .026 .029 .018 .000 -.002 -.003 |
|
OH7 .5580 .6813 .4976 .5 .024 .026 .029 .018 .000 -.002 -.003 |
|
O8 0 .8279 .25 .029 .020 .021 .046 .000 -.022 .000 |
|
OH9 .7676 .8815 .1632 .026 .021 .022 .037 .004 -.002 .004 |
|
O10 .214 .5 .5 .5 .067 |
|
O11 .488 .9372 .045 .5 .19 |
|
O12 .046 .526 .329 .25 .10 |
|
Wat1 -.114 .5 .5 .5 .14 |
|
Wat2 .482 .8803 .179 .5 .055 |
|
Wat3 .097 .534 .360 .5 .112 |
|
|
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|
| |
|
Chromschieffelinite |
| |
Kampf A R, Mills S J, Housley R M, Rumsey M S, Spratt J |
| |
American Mineralogist 97 (2012) 212-219 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
|
VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, |
|
the chromate analog of schieffelinite |
|
Locality: Otto Mountain near Baker, California, USA |
|
_database_code_amcsd 0018766 |
|
9.6646 19.4962 10.5101 90 90 90 C222_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .5000 .73669 .2500 .02636 .0210 .0188 .0393 .000 .0048 .000 |
|
Pb2 .85091 .65778 .37381 .02338 .0188 .0200 .0314 -.0010 .0048 .0018 |
|
Pb3 .78519 .84795 .49042 .03141 .0551 .0189 .0202 -.0062 -.0102 .0037 |
|
Te1 .5000 .55833 .2500 .0149 .0183 .0134 .0131 .000 -.0005 .000 |
|
Te2 .84797 .79074 .15086 .01206 .0096 .0139 .0127 -.0005 -.0015 .0003 |
|
Cr .0584 .5030 .4555 .25 .050 |
|
O1 .6286 .6271 .2077 .0170 .020 .011 .020 .006 .003 .000 |
|
OH2 .5707 .5544 .4228 .028 .032 .029 .023 -.003 -.010 -.002 |
|
OH3 .3728 .4860 .2998 .034 .053 .013 .036 -.014 -.001 -.002 |
|
O4 .9161 .6999 .1306 .0181 .010 .014 .030 .005 -.001 .004 |
|
O5 .8150 .7336 .5598 .0152 .026 .005 .014 .003 .008 .003 |
|
O6 .7655 .7640 .3088 .0137 .010 .020 .011 .000 .004 .004 |
|
O7 .5579 .6818 .4978 .5 .023 .023 .023 .022 -.002 -.011 -.002 |
|
OH7 .5579 .6818 .4978 .5 .023 .023 .023 .022 -.002 -.011 -.002 |
|
O8 .0000 .8272 .2500 .021 .008 .021 .033 .000 -.011 .000 |
|
OH9 .7667 .8820 .1633 .0204 .016 .022 .023 .003 -.004 .004 |
|
O10 .221 .5000 .5000 .5 .072 |
|
O11 .516 .9325 .050 .5 .130 |
|
O12 .054 .538 .313 .25 .033 |
|
Wat1 -.139 .5000 .5000 .5 .14 |
|
Wat2 .480 .8803 .176 .5 .078 |
|
Wat3 .124 .532 .386 .5 .102 |
|
|
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|
| |
|
Kapundaite |
| |
Mills S J, Birch W D, Kampf A R, Christy A G, Pluth J J, Pring A, |
|
Raudsepp M, Chen Y S |
| |
American Mineralogist 95 (2010) 754-760 |
|
Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3·5H2O, a new phosphate species from |
|
Toms quarry, South Australia: Description and structural |
|
relationship to melonjosephite |
|
Locality: Toms quarry, South Australia |
|
_database_code_amcsd 0018799 |
|
6.317 7.698 9.768 105.53 99.24 90.09 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .439 .7184 .4298 .67 .056 .12 .016 .028 .004 .009 .008 |
|
Ca .439 .7184 .4298 .33 .056 .12 .016 .028 .004 .009 .008 |
|
Fe1 .5 0 0 .013 .02 .018 .004 -.009 .002 .003 |
|
Fe2 0 0 0 .017 .03 .017 .003 .003 .002 .004 |
|
Fe3 .7976 .6972 .1730 .024 .02 .016 .033 -.003 .010 .003 |
|
P1 .177 .8785 .7118 .015 .01 .013 .026 .005 .009 .005 |
|
P2 .278 .6868 .1002 .021 .02 .012 .033 .002 .006 .010 |
|
O1 .832 .940 .323 .021 .02 .020 .024 -.010 -.003 .008 |
|
O2 .157 .723 .572 .023 .03 .015 .028 .001 .014 -.001 |
|
O3 .011 .143 .204 .034 .06 .019 .029 .002 .018 .007 |
|
O4 .414 .861 .802 .046 .09 .019 .026 -.025 -.007 .004 |
|
O5 .482 .686 .191 .019 |
|
O6 .114 .683 .195 .020 |
|
O7 .771 .463 .038 .024 |
|
O8 .262 .871 .059 .017 .01 .018 .031 .002 .009 .012 |
|
OH .242 .165 .976 .027 .03 .029 .027 -.013 -.003 .013 |
|
Wat1 .831 .611 .372 .035 .07 .024 .023 .002 .007 .019 |
|
Wat2 .351 .394 .349 .05 .08 .044 .036 -.02 .005 .004 |
|
Wat3 .669 .979 .584 .06 .11 .011 .054 .02 .005 .013 |
|
|
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|
| |
|
Metanatroautunite |
| |
Mills S J, Kampf A R, Birch W D |
| |
American Mineralogist 97 (2012) 735-738 |
|
The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, |
|
from the Lake Boga Granite, Victoria, Australia |
|
Note: z-coordinate of U changed from .40959 to match reported bond lengths |
|
Locality: Lake Boga Granite, Victoria, Australia |
|
_database_code_amcsd 0018862 |
|
6.9935 6.9935 17.5101 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
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 .25 .25 .04959 .0197 .0145 .0145 .0300 0 0 0 |
|
P .75 .25 0 .0187 .0092 .0092 .0377 0 0 0 |
|
O1 .25 .25 .1508 .034 .031 .031 .040 0 0 0 |
|
O2 .25 .25 .9468 .033 .030 .030 .037 0 0 0 |
|
O3 .7191 .0760 .4478 .0344 .043 .012 .047 -.003 -.003 -.000 |
|
Na4 .173 .988 .3110 .25 .143 |
|
Wat4 .173 .988 .3110 .75 .143 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Falsterite |
| |
Kampf A R, Mills S J, Simmons W B, Nizamoff J W, Whitmore R W |
| |
American Mineralogist 97 (2012) 496-502 |
|
Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary |
|
phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire |
|
Locality: Palermo No. 1 pegmatite, North Groton, New Hampshire |
|
_database_code_amcsd 0018881 |
|
6.3868 21.260 15.365 90 90.564 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .5368 .3734 .6401 .051 .051 .056 .046 -.004 .001 .000 |
|
Mg .293 .0428 .5181 .464 .041 .023 .054 .047 .010 .018 .014 |
|
Zn .293 .0428 .5181 .036 .041 .023 .054 .047 .010 .018 .014 |
|
Mn .0451 .3486 .3910 .0533 .045 .066 .049 .000 .008 -.004 |
|
Fe1 .2933 .24592 .2653 .0454 .043 .051 .042 .004 .004 -.004 |
|
Fe2 .7899 .2456 .2650 .0473 .047 .050 .045 .000 .002 .001 |
|
Zn1 .2931 .18160 .5218 .0561 .045 .082 .042 .005 .002 -.002 |
|
Zn2 .7949 .18224 .5227 .0498 .048 .053 .048 .003 .001 -.003 |
|
P1 .0410 .2979 .5927 .052 .036 .063 .059 .001 .001 -.004 |
|
P2 .5452 .2914 .4394 .047 .045 .049 .048 .002 .020 .003 |
|
P3 .0352 .1305 .3659 .049 .055 .052 .041 -.005 .017 .003 |
|
P4 .5490 .1327 .6749 .052 .063 .050 .044 .000 -.014 .008 |
|
O1 .035 .3514 .5282 .048 .055 .029 .058 .012 .011 .030 |
|
O2 .238 .1993 .1496 .046 .027 .058 .052 -.012 .000 .022 |
|
O3 .839 .2045 .1485 .045 .033 .053 .048 -.017 .005 .002 |
|
O4 .043 .2323 .5431 .037 .034 .047 .030 -.009 .013 -.006 |
|
O5 .555 .3510 .4912 .049 .018 .073 .057 -.002 -.004 .003 |
|
O6 .742 .2857 .3839 .039 .020 .075 .023 .000 -.004 .016 |
|
O7 .543 .2318 .4964 .050 .030 .050 .069 .006 -.017 -.011 |
|
O8 .338 .2870 .3810 .052 .015 .058 .081 .005 -.005 -.006 |
|
O9 .837 .1323 .4209 .056 .08 .058 .028 -.018 -.008 .008 |
|
O10 .032 .0753 .3023 .071 .10 .047 .061 -.005 -.034 -.008 |
|
O11 .045 .1944 .3197 .052 .042 .050 .063 .000 .012 .032 |
|
O12 .232 .1246 .4285 .066 .073 .071 .054 .008 -.015 -.009 |
|
O13 .373 .1265 .6114 .073 .041 .075 .10 -.004 -.030 -.003 |
|
O14 .544 .0826 .7455 .052 .043 .054 .060 .018 .013 -.013 |
|
O15 .541 .2005 .7142 .067 .09 .063 .045 .015 .022 -.003 |
|
O16 .762 .1294 .6212 .064 .09 .064 .043 .029 .017 .017 |
|
OH17 .539 .1846 .2777 .043 .045 .027 .056 .003 -.013 -.001 |
|
OH18 .038 .3076 .2585 .050 .073 .047 .029 .015 .000 -.005 |
|
Wat19 .247 .4291 .3607 .061 .103 .033 .048 -.005 .028 .015 |
|
Wat20 .786 .4237 .3902 .058 .040 .077 .055 -.008 -.007 -.011 |
|
Wat21 .425 .4516 .7457 .078 .091 .051 .093 -.006 .027 .006 |
|
Wat22 .347 .4546 .5593 .073 .085 .052 .083 .009 -.007 .012 |
|
Wat23 .854 .4405 .6465 .063 .054 .060 .077 -.006 .029 .000 |
|
Wat24 .426 .9660 .5684 .090 .070 .063 .14 .004 .031 -.016 |
|
Wat25 .048 .0363 .596 .5 .052 .03 .04 .08 .00 -.03 .01 |
|
Wat26 .146 .9872 .423 .5 .054 .09 .06 .01 .03 .01 -.02 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Matulaite |
|
Kampf A R, Mills S J, Rumsey M S, Spratt J, Favreau G |
| |
Mineralogical Magazine 76 (2012) 517-534 |
|
The crystal structure determination and redefinition of |
|
matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O |
|
Locality: Bachman mine, Hellertown, Northampton County, Pennsylvania, USA |
|
_database_code_amcsd 0018885 |
|
10.604 16.608 20.647 90 98.848 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe .5012 .84428 .24566 .71 .0372 .030 .025 .059 -.0006 .0158 -.0004 |
|
Al .5012 .84428 .24566 .29 .0372 .030 .025 .059 -.0006 .0158 -.0004 |
|
Al1 .3876 .0873 .3597 .0383 .026 .028 .062 -.007 .011 -.002 |
|
Al2 .2319 .0902 .2028 .0353 .024 .033 .050 -.007 .009 .004 |
|
Al3 .1005 .9439 .1514 .0448 .040 .038 .060 -.001 .017 .004 |
|
Al4 -.0023 .8432 .2441 .0442 .036 .030 .071 .000 .021 .001 |
|
Al5 .8992 .7481 .3413 .0419 .036 .031 .059 -.002 .008 -.010 |
|
Al6 .7292 .0974 .2053 .0334 .028 .020 .056 -.002 .019 .001 |
|
Al7 .6080 .5915 .1391 .0387 .027 .029 .065 .001 .021 .000 |
|
P1 .3633 .6817 .1786 .0410 .031 .039 .057 .000 .021 .002 |
|
P2 .6361 .0028 .3210 .0445 .033 .031 .072 .001 .015 .000 |
|
P3 .2521 .9354 .2955 .0438 .038 .041 .055 -.008 .015 -.002 |
|
P4 .7467 .7492 .1964 .0397 .034 .035 .053 -.003 .016 -.006 |
|
P5 .6318 .7209 .3690 .0436 .031 .039 .062 .001 .012 .002 |
|
P6 .3725 .9736 .1266 .0434 .036 .038 .060 .002 .019 -.002 |
|
O1 .3686 .7705 .1970 .041 .044 .001 .077 .007 .004 .003 |
|
O2 .4709 .6614 .1386 .044 .035 .029 .069 -.008 .016 -.005 |
|
O3 .3784 .6267 .2398 .038 .037 .047 .032 -.011 .013 .006 |
|
O4 .2331 .6645 .1354 .037 .030 .027 .055 -.002 .013 -.002 |
|
O5 .6341 .9159 .2977 .037 .029 .028 .055 -.006 .006 -.002 |
|
O6 .7643 .0173 .3651 .040 .033 .031 .054 .005 .004 .003 |
|
O7 .6205 .0618 .2631 .044 .037 .039 .057 .012 .007 .015 |
|
O8 .5281 .0186 .3613 .045 .018 .037 .080 .001 .014 .012 |
|
O9 .3699 .8847 .2948 .044 .015 .056 .067 .006 .021 .001 |
|
O10 .2708 .9990 .3492 .040 .038 .033 .050 -.004 .012 -.003 |
|
O11 .1342 .8855 .3046 .045 .040 .050 .048 -.009 .017 -.007 |
|
O12 .2200 .9788 .2285 .039 .034 .027 .061 -.012 .023 -.005 |
|
O13 .8613 .7966 .1844 .048 .038 .031 .080 -.014 .020 .009 |
|
O14 .6300 .8041 .1957 .047 .047 .024 .078 .007 .031 -.003 |
|
O15 .7227 .6816 .1450 .046 .035 .040 .067 -.014 .016 -.004 |
|
O16 .7807 .7094 .2660 .044 .045 .045 .042 -.008 .005 .003 |
|
O17 .5406 .7605 .3166 .041 .028 .017 .078 .003 .011 .006 |
|
O18 .7611 .7638 .3867 .042 .036 .019 .073 .000 .019 -.006 |
|
O19 .6514 .6320 .3513 .041 .045 .000 .081 .002 .026 .001 |
|
Oh20 .5710 .7251 .4327 .043 .032 .036 .068 -.001 .025 -.002 |
|
H20 .497 .706 .442 .052 |
|
O21 .4658 .9275 .1770 .048 .048 .031 .065 .004 .010 -.012 |
|
O22 .3512 .0605 .1473 .044 .043 .034 .060 .011 .017 -.001 |
|
O23 .2430 .9307 .1086 .045 .029 .046 .064 .001 .018 -.001 |
|
Oh24 .4341 .9799 .0634 .057 .053 .049 .074 .010 .028 -.011 |
|
H24 .497 .952 .050 .068 |
|
Oh25 .3766 .1063 .2680 .040 .039 .010 .071 -.010 .010 .003 |
|
H25 .405 .156 .263 .048 |
|
Oh26 .0935 .0554 .1400 .045 .053 .035 .051 -.010 .019 -.007 |
|
H26 .105 .052 .098 .054 |
|
Oh27 -.0349 .9436 .2045 .049 .019 .032 .103 .006 .027 .042 |
|
H27 -.115 .926 .207 .059 |
|
Oh28 1.0297 .7445 .2869 .041 .023 .034 .063 .004 -.008 .001 |
|
H28 1.079 .704 .306 .050 |
|
Oh29 .6264 .5779 .2317 .043 .031 .021 .082 .004 .023 -.001 |
|
H29 .559 .606 .239 .052 |
|
Oh30 -.1037 .8554 .3109 .042 .045 .022 .061 -.001 .013 -.001 |
|
H30 -.165 .893 .296 .050 |
|
Oh31 .9029 .6380 .3564 .045 .038 .031 .068 -.011 .014 .008 |
|
H31 .975 .609 .363 .054 |
|
Oh32 .1051 .8351 .1783 .037 .021 .045 .053 -.004 .030 .001 |
|
H32 .176 .809 .169 .044 |
|
OW33 .5830 .5976 .0447 .049 .044 .042 .060 -.006 .008 -.009 |
|
H33A .636 .626 .022 .059 |
|
H33B .529 .571 .014 .059 |
|
OW34 .4867 .5005 .1236 .048 .043 .033 .070 -.004 .018 .013 |
|
H34A .409 .478 .127 .057 |
|
H34B .545 .471 .150 .057 |
|
OW35 .5149 .1740 .3832 .057 .039 .040 .096 -.012 .028 -.025 |
|
H35A .594 .169 .373 .068 |
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H35B .494 .226 .381 .068 |
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OW36 .2286 .2019 .1676 .050 .051 .045 .057 .013 .012 .002 |
|
H36A .150 .207 .145 .061 |
|
H36B .247 .149 .171 .061 |
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OW37 1.0154 .7719 .4166 .056 .060 .036 .073 -.003 .012 .006 |
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H37A 1.068 .814 .425 .068 |
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H37B 1.017 .745 .454 .068 |
|
OW38 -.0100 .9234 .0741 .060 .064 .032 .082 .003 .005 -.002 |
|
H38A -.031 .968 .051 .072 |
|
H38B -.007 .882 .048 .072 |
|
OW39 .3895 .0707 .4530 .045 .049 .028 .059 -.005 .012 -.015 |
|
H39A .450 .083 .487 .054 |
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H39B .400 .018 .444 .054 |
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OW40 .7240 .9903 .1641 .050 .044 .021 .090 .004 .024 -.006 |
|
H40A .656 .961 .173 .060 |
|
H40B .776 .955 .148 .060 |
|
OW41 .7157 .7145 .5412 .073 .079 .060 .087 .001 .035 .002 |
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H41A .693 .736 .578 .088 |
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H41B .797 .730 .540 .088 |
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OW42 .8197 .9077 .4752 .066 .044 .078 .086 .007 .036 .013 |
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H42A .736 .912 .478 .080 |
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H42B .826 .915 .432 .080 |
|
OW43 .5305 .1139 .5613 .067 .047 .078 .077 .009 .017 .007 |
|
H43A .538 .099 .604 .080 |
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H43B .611 .126 .554 .080 |
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OW44 .7394 .6636 -.0272 .081 .068 .088 .088 .019 .018 .016 |
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H44A .741 .671 -.070 .097 |
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H44B .77 .614 -.016 .097 |
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OW45 .9833 .7215 .5366 .098 .124 .057 .121 -.030 .038 -.015 |
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H45A 1.047 .685 .545 .118 |
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H45B .911 .695 .522 .118 |
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OW46 -.1771 .0363 .0331 .085 .086 .072 .093 .004 .000 .012 |
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H46A -.261 .038 .039 .102 |
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H46B -.176 .062 -.007 .102 |
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OW47 -.1552 .8153 -.0063 .092 .080 .075 .111 -.020 -.010 -.019 |
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H47A -.19 .863 .004 .110 |
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H47B -.13 .788 .031 .110 |
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OW48 .352 .0974 -.0218 .113 .123 .089 .126 .029 .020 .003 |
|
H48A .34 .074 -.062 .135 |
|
H48B .38 .057 .008 .135 |
|
|
| 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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