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Pararealgar |
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Bonazzi P, Menchetti S, Pratesi G |
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American Mineralogist 80 (1995) 400-403 |
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The crystal structure of pararealgar |
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_database_code_amcsd 0001734 |
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9.909 9.655 8.502 90 97.29 90 P2_1/c |
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atom x y z Uiso |
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As1 .3187 .6355 .0432 .038 |
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As2 .0819 .5427 .3252 .035 |
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As3 .3698 .3607 .3431 .050 |
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As4 .1455 .3439 .1643 .041 |
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S1 .1645 .7187 .1923 .040 |
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S2 .2537 .4782 .5099 .046 |
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S3 .4703 .5276 .2192 .052 |
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S4 .1964 .4483 -.0492 .042 |
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Alacranite |
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Bonazzi P, Bindi L, Popova V, Pratesi G, Menchetti S |
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American Mineralogist 88 (2003) 1796-1800 |
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Alacranite, As8S9: structural study of the holotype and re-assignment |
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of the original chemical formula |
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_database_code_amcsd 0003185 |
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9.942 9.601 9.178 90 101.94 90 P2/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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As1 .0190 .2227 .9418 .058 .054 .075 .043 .011 .008 .018 |
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As2 .1653 .4149 .8541 .049 .036 .043 .064 -.003 .001 -.009 |
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As3 .4408 .3214 .4333 .043 .058 .035 .037 -.010 .013 -.005 |
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As4 .3750 .0312 .1774 .045 .057 .045 .036 -.017 .015 -.015 |
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S1 0 .0768 3/4 .072 .082 .034 .098 0 .012 0 |
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S2 0 .5590 3/4 .097 .076 .031 .165 0 -.020 0 |
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S3 .1854 .3210 .6404 .067 .034 .117 .053 -.005 .021 .002 |
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S4 .2806 .1733 .3216 .036 .029 .051 .035 .008 .019 -.006 |
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S5 1/2 .4457 .25 .046 .071 .031 .043 0 .027 0 |
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S6 .3944 .1671 -.0114 .045 .056 .040 .037 .009 .008 .007 |
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Melliniite |
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Pratesi G, Bindi L, Moggi-Cecchi V |
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American Mineralogist 91 (2006) 451-454 |
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Icosahedral coordination of phosphorus in the crystal structure of melliniite, |
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a new phosphide mineral from the Northwest Africa 1054 acapulcoite |
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_database_code_amcsd 0004124 |
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6.025 6.025 6.025 90 90 90 P2_13 |
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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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Ni1 .11684 .20686 .45493 .58 .0290 .0295 .0289 .0286 .0001 -.0002 .0001 |
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Fe1 .11684 .20686 .45493 .42 .0290 .0295 .0289 .0286 .0001 -.0002 .0001 |
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Ni2 .6803 .6803 .6803 .58 .0261 .0261 .0261 .0261 .0004 .0004 .0004 |
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Fe2 .6803 .6803 .6803 .42 .0261 .0261 .0261 .0261 .0004 .0004 .0004 |
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P .0622 .0622 .0622 .0242 .0242 .0242 .0242 -.0003 -.0003 -.0003 |
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Beta-As4S4 |
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Bonazzi P, Bindi L, Pratesi G, Menchetti S |
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American Mineralogist 91 (2006) 1323-1330 |
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Light-induced changes in molecular arsenic sulfides: State of the art and |
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new evidence by single-crystal X-ray diffraction |
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Sample: B2-0, beta-As4S4 |
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_database_code_amcsd 0004217 |
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9.958 9.311 8.867 90 102.57 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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As1 -.00187 -.20545 .05489 .0292 .0348 .0339 .0188 .0054 .0060 .0067 |
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As2 -.16022 -.40157 .12611 .0286 .0236 .0317 .0264 .0005 -.0036 -.0065 |
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S1 0 -.0540 .25 .0340 .0443 .0226 .0346 0 .0076 0 |
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S2 0 -.5536 .25 .0363 .0361 .0219 .0450 0 -.0043 0 |
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S3 -.2012 -.3040 .3403 .0350 .0262 .0493 .0318 -.0044 .0117 -.0064 |
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As8S8.34 |
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Bonazzi P, Bindi L, Pratesi G, Menchetti S |
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American Mineralogist 91 (2006) 1323-1330 |
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Light-induced changes in molecular arsenic sulfides: State of the art and |
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new evidence by single-crystal X-ray diffraction |
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Sample: B2-600, light exposure for t = 600 minutes |
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Note: beta-As4S4 - alacranite series |
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_database_code_amcsd 0004218 |
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9.881 9.397 8.930 90 101.64 90 C2/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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As1 .002 -.2084 .0570 .83 .0459 .0498 .055 .0320 .0086 .0063 .0094 |
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As1b .043 -.166 .095 .17 .112 .09 .043 .20 .027 .05 .059 |
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As2 -.1606 -.4022 .1282 .83 .0488 .0362 .0499 .0550 .0038 -.0034 -.0137 |
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As2b -.120 -.459 .169 .17 .085 .068 .11 .082 -.033 .035 -.063 |
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S1 0 -.0590 .25 .062 .070 .042 .073 0 .011 0 |
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S2 0 -.5525 .25 .83 .065 .054 .034 .098 0 -.005 0 |
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S3 -.2034 -.3065 .3385 .0622 .042 .083 .066 -.008 .023 -.011 |
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S4 -.095 -.320 -.006 .17 .076 .09 .09 .044 .05 .024 .017 |
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As8S8.44 |
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Bonazzi P, Bindi L, Pratesi G, Menchetti S |
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American Mineralogist 91 (2006) 1323-1330 |
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Light-induced changes in molecular arsenic sulfides: State of the art and |
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new evidence by single-crystal X-ray diffraction |
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Sample: B2-840, light exposure for t = 840 minutes |
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Note: beta-As4S4 - alacranite series |
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_database_code_amcsd 0004219 |
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9.831 9.444 8.986 90 101.36 90 C2/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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As1 .0006 -.2097 .0576 .78 .0607 .061 .076 .044 .012 .0089 .013 |
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As1b .046 -.166 .093 .22 .121 .093 .053 .21 .019 .027 .043 |
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As2 -.1606 -.4052 .1318 .78 .0635 .043 .065 .077 .0068 -.0016 -.020 |
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As2b -.114 -.466 .176 .22 .074 .054 .101 .072 -.009 .023 -.045 |
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S1 0 -.0621 .25 .077 .083 .053 .094 0 .017 0 |
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S2 0 -.5519 .25 .78 .084 .061 .047 .137 0 -.001 0 |
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S3 -.2045 -.3094 .3377 .079 .050 .110 .084 -.004 .027 -.013 |
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S4 -.102 -.325 -.004 .22 .075 .09 .09 .041 .05 .004 .002 |
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As8S8.262 |
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Bonazzi P, Bindi L, Pratesi G, Menchetti S |
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American Mineralogist 91 (2006) 1323-1330 |
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Light-induced changes in molecular arsenic sulfides: State of the art and |
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new evidence by single-crystal X-ray diffraction |
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Sample: ALA16-0 |
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Note: beta-As4S4 - alacranite series |
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_database_code_amcsd 0004220 |
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9.963 9.323 8.962 90 102.41 90 C2/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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As1 -.0041 -.2081 .0561 .869 .0439 .0430 .0534 .0353 .0086 .0082 .0075 |
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As1b .055 -.170 .074 .131 .081 .068 .071 .101 .023 .014 .013 |
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As2 -.1608 -.4033 .1285 .869 .0425 .0302 .0472 .0457 .0021 -.0019 -.0080 |
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As2b -.127 -.468 .176 .131 .064 .076 .053 .067 -.013 .022 -.006 |
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S1 0 -.0561 .25 .0522 .054 .044 .058 0 .008 0 |
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S2 0 -.5549 .25 .869 .053 .044 .033 .074 0 -.005 0 |
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S3 -.2012 -.3080 .3407 .0562 .037 .078 .059 -.005 .021 -.007 |
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S4 -.101 -.323 -.007 .131 .062 .06 .06 .07 .001 .024 .01 |
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As8S8.62 |
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Bonazzi P, Bindi L, Pratesi G, Menchetti S |
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American Mineralogist 91 (2006) 1323-1330 |
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Light-induced changes in molecular arsenic sulfides: State of the art and |
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new evidence by single-crystal X-ray diffraction |
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Sample: ALA16-1800, light exposure for t = 1800 minutes |
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Note: beta-As4S4 - alacranite series |
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_database_code_amcsd 0004221 |
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9.862 9.438 9.078 90 101.25 90 C2/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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As1 -.0031 -.2134 .0591 .69 .069 .071 .083 .052 .012 .008 .013 |
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As1b .056 -.169 .075 .31 .104 .092 .059 .16 .002 .036 .012 |
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As2 -.1618 -.4080 .1359 .69 .077 .059 .075 .090 .008 -.004 -.021 |
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As2b -.119 -.465 .177 .31 .078 .076 .095 .068 -.014 .022 -.029 |
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S1 0 -.0621 .25 .089 .106 .062 .097 0 .016 0 |
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S2 0 -.558 .25 .69 .107 .080 .047 .18 0 -.017 0 |
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S3 -.2032 -.3152 .3379 .094 .065 .130 .093 -.009 .032 -.004 |
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S4 -.101 -.321 -.007 .31 .084 .11 .10 .040 .03 -.003 -.006 |
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As8S8.76 |
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Bonazzi P, Bindi L, Pratesi G, Menchetti S |
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American Mineralogist 91 (2006) 1323-1330 |
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Light-induced changes in molecular arsenic sulfides: State of the art and |
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new evidence by single-crystal X-ray diffraction |
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Sample: ALA15-600, light exposure for t = 600 minutes |
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Note: beta-As4S4 - alacranite series |
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_database_code_amcsd 0004222 |
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9.885 9.446 9.118 90 101.32 90 C2/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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As1 -.0065 -.217 .0577 .62 .071 .077 .082 .051 .004 .006 .009 |
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As1b .049 -.172 .074 .38 .090 .10 .055 .110 .019 .015 .010 |
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As2 -.1633 -.4085 .136 .62 .076 .054 .069 .096 .008 -.006 -.021 |
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As2b -.121 -.463 .176 .38 .080 .080 .094 .072 -.018 .032 -.035 |
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S1 0 -.0629 .25 .089 .101 .060 .109 0 .027 0 |
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S2 0 -.560 .25 .62 .107 .056 .052 .19 0 -.03 0 |
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S3 -.2032 -.3167 .3381 .089 .065 .116 .093 -.015 .032 -.005 |
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S4 -.104 -.324 -.008 .38 .087 .12 .07 .06 .03 -.01 -.004 |
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Lenaite |
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Bindi L, Spry P G, Pratesi G |
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The Canadian Mineralogist 44 (2006) 207-212 |
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Lenaite from the Gies gold-silver telluride deposit, Judith Mountains, Montana, USA: |
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occurrence, composition, and crystal structure |
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Locality: Gies gold-silver telluride deposit, Judith Mountains, Montana, USA |
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_database_code_amcsd 0006082 |
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5.4371 5.4371 10.8479 90 90 90 I-42d |
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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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Ag 0 0 0 .01609 .01620 .01620 .01586 0 0 0 |
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Fe 0 0 .5 .01505 .0152 .0152 .0148 0 0 0 |
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S .2857 .25 .125 .0180 .0189 .0175 .0176 0 0 -.0003 |
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Mansfieldite |
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Zoppi M, Pratesi G |
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Acta Crystallographica E65 (2009) i6-i7 |
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Rietveld refinment of a natural cobaltian mansfieldite from synchrotron data |
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Locality: Mt. Cobalt, Cloncurry District, Queensland, Australia |
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_database_code_amcsd 0010489 |
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8.79263 9.79795 10.08393 90 90 90 Pbca |
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atom x y z occ Uiso |
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Al1 .1478 .18068 .12682 .95 .0087 |
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Co1 .1478 .18068 .12682 .05 .0087 |
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As2 .03632 -.13857 .15042 .00875 |
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O1 .0106 .0308 .1440 .0055 |
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O2 .0003 -.1986 .3005 .0077 |
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O3 .2208 -.1729 .1105 .0086 |
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O4 -.0815 -.2171 .0434 .0063 |
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O5w .2296 .1244 .2939 .0182 |
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O6w .3186 .0696 .0559 .0164 |
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H51 .19 .17 .354 .08 |
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H52 .309 .114 .301 .036 |
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H61 .347 .093 -.01 .033 |
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H62 .295 -.023 .053 .047 |
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Seeligerite |
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Bindi L, Welch M D, Bonazzi P, Pratesi G, Menchetti S |
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Mineralogical Magazine 71 (2008) 771-783 |
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The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from |
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the San Rafael mine, Sierra Gorda, Chile |
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Locality: San Rafael mine, Sierra Gorda, Chile |
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_database_code_amcsd 0014582 |
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7.971 7.976 27.341 90 90 90 Cmm2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 0 0 .00120 .0391 .0391 .0390 .0392 0 0 0 |
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Pb2 0 0 .32526 .0284 .0280 .0280 .0291 0 0 0 |
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Pb3 0 .5 .32043 .0328 .0328 .0327 .0328 0 0 0 |
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Pb4 0 0 .65541 .0304 .0295 .0297 .0321 0 0 0 |
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Pb5 0 .5 .65998 .0335 .0329 .0328 .0350 0 0 0 |
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Pb6 0 .5 .93079 .0366 .0361 .0360 .0378 0 0 0 |
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Pb7 .25 .25 .15868 .0288 .0278 .0277 .0309 .0002 0 0 |
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Pb8 .25 .25 .82289 .0307 .0307 .0306 .0308 .0001 0 0 |
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Pb9 .25 .25 .56002 .0614 .0605 .0605 .0632 -.0002 0 0 |
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I1 0 0 .90611 .0358 .034 .034 .039 0 0 0 |
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I2 .25 .25 .42342 .0195 .0197 .0197 .0190 -.0001 0 0 |
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I3 0 .5 .07382 .0116 .0121 .0120 .0108 0 0 0 |
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O1 0 .7097 .1081 .034 .033 .031 .039 0 0 .002 |
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O2 .2101 .5 .1079 .034 .032 .033 .039 0 .003 0 |
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O3 .2313 0 .8840 .023 .026 .029 .014 0 -.004 0 |
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O4 0 -.2311 .8840 .023 .029 .025 .014 0 0 .004 |
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O5 .2489 0 .6097 .084 .07 .09 .09 0 .01 0 |
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O6 0 .2490 .6085 .085 .08 .07 .10 0 0 -.01 |
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O7 .2493 .5 .4212 .037 .036 .041 .033 0 -.002 0 |
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O8 0 .2507 .4211 .037 .040 .036 .034 0 0 .003 |
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Cl1 0 0 .1987 .0180 .022 .022 .009 0 0 0 |
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Cl2 .25 .25 .7026 .037 .037 .038 .036 .001 0 0 |
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Cl3 0 .5 .7964 .041 .047 .046 .030 0 0 0 |
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Cl4 0 0 .7852 .036 .034 .034 .040 0 0 0 |
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Cl5 .25 .25 .2981 .036 .035 .035 .039 -.001 0 0 |
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Cl6 0 0 .5108 .066 .072 .071 .056 0 0 0 |
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Cl7 .25 .25 -.0179 .0466 .051 .051 .037 -.003 0 0 |
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Cl8 0 .5 .2088 .0139 .015 .015 .012 0 0 0 |
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Cl9 0 .5 .4921 .029 .028 .029 .031 0 0 0 |
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