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Bottinoite |
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Bonazzi P, Mazzi F |
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American Mineralogist 81 (1996) 1494-1500 |
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Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond |
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model |
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Sample: BS2, synthetic |
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Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints. |
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_database_code_amcsd 0001841 |
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16.060 16.060 9.792 90 90 120 P3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 0 0 0 .017 .017 .003 .0085 0 0 |
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Sb2 2/3 1/3 -.0883 .010 .010 .006 .005 0 0 |
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Sb3 1/3 2/3 -.0021 .005 .005 .042 .0025 0 0 |
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Sb4 0 0 .4974 .014 .014 .002 .007 0 0 |
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Sb5 2/3 1/3 .4185 .010 .010 .018 .005 0 0 |
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Sb6 1/3 2/3 .4987 .008 .008 .018 .004 0 0 |
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Sb7 .3283 -.0066 .4704 .008 .009 .018 .003 .001 .003 |
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Sb8 .6678 .0055 .4496 .014 .014 .002 .008 -.001 0 |
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Ni1 .3379 .0080 -.0311 .010 .005 .031 .004 .000 -.003 |
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Ni2 .6639 -.0065 -.0505 .013 .020 .001 .009 -.001 -.004 |
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O1 .032 .117 -.120 .028 .005 .058 .010 -.007 .005 |
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O2 .114 .081 .112 .021 .046 .001 .003 -.004 .004 |
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O3 .579 .221 -.200 .018 .012 .042 -.005 -.015 -.013 |
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O4 .697 .254 .027 .015 .023 .006 .011 -.008 -.002 |
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O5 .302 .554 .119 .017 .019 .007 .010 -.004 -.002 |
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O6 .364 .783 -.109 .025 .011 .022 .017 -.001 -.001 |
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O7 .315 .097 -.159 .043 .021 .030 .028 -.009 .000 |
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O8 .426 .116 .093 .027 .029 .004 .018 -.002 -.005 |
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O9 .454 .036 -.147 .012 .011 .050 .006 .009 -.014 |
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O10 .363 -.085 .088 .020 .020 .015 .009 -.005 .003 |
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O11 .253 -.107 -.156 .031 .007 .015 .014 -.011 -.008 |
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O12 .215 -.028 .091 .031 .039 .021 .027 -.024 -.016 |
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O13 .582 .027 .070 .022 .057 .006 .021 .011 .008 |
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O14 .693 .111 -.160 .013 .013 .015 .006 .003 .014 |
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O15 .781 .081 .070 .026 .027 .012 .005 .000 .018 |
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O16 .754 -.032 -.178 .015 .054 .048 .026 .009 .034 |
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O17 .633 -.126 .067 .013 .040 .007 .000 .003 .003 |
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O18 .553 -.091 -.172 .003 .027 .045 -.004 -.009 -.009 |
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O19 .064 .112 .366 .029 .010 .031 .009 .002 .006 |
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O20 .115 .042 .611 .018 .018 .019 .005 .007 .007 |
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O21 .550 .269 .535 .005 .007 .004 .001 .000 .004 |
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O22 .623 .220 .302 .025 .030 .013 .024 -.009 -.012 |
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O23 .263 .550 .615 .022 .006 .007 .008 .005 .001 |
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O24 .395 .778 .377 .017 .014 .022 -.004 -.002 .006 |
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O25 .260 .039 .344 .031 .033 .018 .030 -.011 -.002 |
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O26 .378 .113 .578 .012 .016 .006 .010 .001 -.002 |
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O27 .447 .060 .347 .005 .029 .017 .009 .006 -.003 |
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O28 .400 -.050 .585 .007 .020 .009 .006 -.005 .005 |
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O29 .281 -.123 .346 .020 .006 .017 .011 .000 -.003 |
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O30 .211 -.074 .581 .012 .009 .017 .002 .005 .007 |
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O31 .618 .074 .567 .003 .016 .007 -.005 -.004 .005 |
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O32 .732 .116 .326 .018 .029 .018 .013 -.005 -.004 |
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O33 .779 .055 .562 .031 .014 .004 .009 -.005 .003 |
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O34 .707 -.067 .330 .022 .036 .034 .023 -.013 -.009 |
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O35 .607 -.108 .567 .004 .019 .007 .004 .004 -.002 |
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O36 .551 -.040 .337 .010 .016 .024 .004 -.006 .007 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
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Bottinoite |
 |
Bonazzi P, Mazzi F |
 |
American Mineralogist 81 (1996) 1494-1500 |
|
Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond |
|
model |
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Sample: BN1, natural |
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Locality: Bottino mine, Apuan Alps, Italy |
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Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints. |
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_database_code_amcsd 0001842 |
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16.045 16.045 9.784 90 90 120 P3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 0 0 0 .016 .016 .005 .008 0 0 |
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Sb2 2/3 1/3 -.0888 .008 .008 .002 .004 0 0 |
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Sb3 1/3 2/3 .0002 .004 .004 .065 .002 0 0 |
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Sb4 0 0 .4943 .012 .012 .011 .006 0 0 |
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Sb5 2/3 1/3 .4193 .015 .015 .011 .0075 0 0 |
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Sb6 1/3 2/3 .5037 .003 .003 .019 .0015 0 0 |
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Sb7 .3273 -.0066 .4706 .012 .007 .020 .003 .003 .002 |
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Sb8 .6679 .0052 .4501 .014 .005 .003 .000 .002 .001 |
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Ni1 .3372 .0100 -.0368 .009 .007 .036 .002 .004 -.001 |
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Ni2 .6605 -.0066 -.0524 .020 .036 .002 .016 .006 .002 |
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O1 .033 .118 -.118 .036 .003 .041 .009 -.015 -.006 |
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O2 .114 .084 .109 .040 .037 .006 .019 .008 -.004 |
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O3 .581 .221 -.202 .016 .010 .036 -.007 -.013 -.007 |
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O4 .701 .257 .023 .019 .015 .007 .006 .000 .000 |
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O5 .302 .554 .118 .019 .016 .007 .006 .005 .003 |
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O6 .360 .779 -.111 .025 .012 .021 .017 -.001 -.001 |
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O7 .316 .099 -.158 .106 .029 .032 .054 .039 .015 |
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O8 .425 .114 .099 .046 .024 .007 .024 .000 -.004 |
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O9 .452 .034 -.152 .024 .008 .040 .005 .023 .009 |
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O10 .365 -.085 .083 .015 .015 .033 .001 -.013 .003 |
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O11 .254 -.108 -.160 .008 .004 .054 -.003 -.010 -.002 |
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O12 .216 -.025 .088 .011 .023 .039 .010 -.006 -.013 |
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O13 .580 .023 .068 .022 .057 .009 .021 .011 .008 |
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O14 .697 .110 -.165 .009 .014 .019 .004 -.005 .004 |
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O15 .778 .080 .067 .016 .029 .016 .005 .010 .019 |
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O16 .755 -.026 -.175 .015 .054 .048 .026 .009 .034 |
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O17 .631 -.128 .006 .012 .026 .010 .008 -.002 -.002 |
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O18 .551 -.092 -.169 .018 .036 .012 .008 -.008 -.002 |
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O19 .057 .109 .368 .025 .007 .037 .008 .011 .009 |
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O20 .116 .041 .610 .020 .020 .020 .012 .014 -.002 |
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O21 .550 .264 .537 .007 .007 .006 .000 .001 .004 |
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O22 .620 .221 .299 .023 .027 .009 .018 -.008 -.015 |
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O23 .261 .550 .613 .016 .007 .012 .005 .001 -.006 |
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O24 .393 .779 .379 .016 .024 .044 .018 .001 .008 |
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O25 .260 .038 .343 .026 .020 .018 .018 -.008 .006 |
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O26 .375 .119 .575 .010 .014 .007 .007 .003 -.004 |
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O27 .446 .058 .341 .008 .029 .017 .009 .006 -.003 |
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O28 .399 -.052 .582 .014 .013 .011 .013 -.005 -.007 |
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O29 .280 -.123 .348 .023 .008 .024 .004 .005 .003 |
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O30 .214 -.070 .582 .009 .008 .021 .000 .006 .005 |
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O31 .619 .072 .568 .009 .020 .008 .009 -.001 .008 |
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O32 .736 .117 .326 .026 .031 .019 .011 -.008 .005 |
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O33 .783 .057 .557 .031 .014 .007 .009 -.005 .003 |
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O34 .710 -.062 .323 .018 .013 .007 .028 .001 -.002 |
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O35 .608 -.106 .563 .017 .013 .007 .003 .001 .002 |
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O36 .550 -.042 .333 .013 .016 .015 .003 .001 .001 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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