|
Pararealgar |
 |
Bonazzi P, Menchetti S, Pratesi G |
 |
American Mineralogist 80 (1995) 400-403 |
|
The crystal structure of pararealgar |
|
_database_code_amcsd 0001734 |
|
9.909 9.655 8.502 90 97.29 90 P2_1/c |
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atom x y z Uiso |
|
As1 .3187 .6355 .0432 .038 |
|
As2 .0819 .5427 .3252 .035 |
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As3 .3698 .3607 .3431 .050 |
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As4 .1455 .3439 .1643 .041 |
|
S1 .1645 .7187 .1923 .040 |
|
S2 .2537 .4782 .5099 .046 |
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S3 .4703 .5276 .2192 .052 |
|
S4 .1964 .4483 -.0492 .042 |
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Paakkonenite |
|
Bonazzi P, Borrini D, Mazzi F, Olmi F |
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American Mineralogist 80 (1995) 1054-1058 |
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Crystal structure and twinning of Sb2AsS2, the synthetic analogue of |
|
paakkonenite |
|
_database_code_amcsd 0001758 |
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10.75 3.959 12.49 90 115.25 90 C2/m |
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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) |
|
Sb1 -.0452 .0 .1755 .033 .015 .030 0 .017 0 |
|
Sb2 .3119 .5 .3979 .027 .027 .058 0 .022 0 |
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As -.1058 .5 .0156 .025 .015 .011 0 .005 0 |
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S1 .2114 .0 .2376 .030 .020 .005 0 .010 0 |
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S2 .0937 .5 .4084 .031 .020 .057 0 .029 0 |
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|
Manganiandrosite-(La) |
| |
Bonazzi P, Menchetti S, Reinecke T |
|
American Mineralogist 81 (1996) 735-742 |
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Solid solution between piemontite and androsite-(La), a new mineral of the |
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epidote group from Andros Island, Greece |
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Sample: AND-517 |
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Note: Mineral name changed from androsite-(La) |
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_database_code_amcsd 0001797 |
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8.896 5.706 10.083 90 113.88 90 P2_1/m |
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atom x y z occ Uiso |
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Mn1 .7587 .75 .1525 .60 .0117 |
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Ca1 .7587 .75 .1525 .40 .0117 |
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La2 .5922 .75 .4275 .25 .0110 |
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Ce2 .5922 .75 .4275 .25 .0110 |
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Pr2 .5922 .75 .4275 .05 .0110 |
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Nd2 .5922 .75 .4275 .17 .0110 |
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Ca2 .5922 .75 .4275 .24 .0110 |
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Sr2 .5922 .75 .4275 .04 .0110 |
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Si1 .3504 .75 .0368 .0086 |
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Si2 .6937 .25 .2809 .0080 |
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Si3 .1915 .75 .3251 .0066 |
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Al1 0 0 0 .04 .0070 |
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Mn1 0 0 0 .912 .0070 |
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Fe1 0 0 0 .048 .0070 |
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Al2 0 0 .5 .96 .0085 |
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Mn2 0 0 .5 .038 .0085 |
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Fe2 0 0 .5 .002 .0085 |
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Cu3 .3130 .25 .2099 .01 .0129 |
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Mn3 .3130 .25 .2099 .94 .0129 |
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Fe3 .3130 .25 .2099 .05 .0129 |
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H .100 .25 .350 .07 |
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O1 .2470 .9925 .0266 .0143 |
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O2 .3140 .9746 .3601 .0104 |
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O3 .8052 .0133 .3306 .0113 |
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O4 .0576 .25 .1317 .0082 |
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O5 .0481 .75 .1584 .0103 |
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O6 .0796 .75 .4211 .0097 |
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O7 .5189 .75 .1773 .0139 |
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O8 .5545 .25 .3430 .0211 |
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O9 .6036 .25 .1042 .0174 |
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O10 .0913 .25 .4338 .0079 |
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Piemontite |
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Bonazzi P, Menchetti S, Reinecke T |
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American Mineralogist 81 (1996) 735-742 |
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Solid solution between piemontite and androsite-(La), a new mineral of the |
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epidote group from Andros Island, Greece |
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Sample: VA-1a |
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_database_code_amcsd 0001798 |
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8.890 5.690 10.135 90 114.44 90 P2_1/m |
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atom x y z occ Uiso |
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Ca1 .7590 .75 .1523 .67 .0128 |
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Mn1 .7590 .75 .1523 .33 .0128 |
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Th2 .5942 .75 .4256 .02 .0123 |
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Ca2 .5942 .75 .4256 .29 .0123 |
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Sr2 .5942 .75 .4256 .19 .0123 |
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La2 .5942 .75 .4256 .11 .0123 |
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Ce2 .5942 .75 .4256 .23 .0123 |
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Pr2 .5942 .75 .4256 .03 .0123 |
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Nd2 .5942 .75 .4256 .10 .0123 |
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Sm2 .5942 .75 .4256 .02 .0123 |
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Gd2 .5942 .75 .4256 .01 .0123 |
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Si1 .3440 .75 .0399 .0082 |
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Si2 .6893 .25 .2787 .0081 |
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Si3 .1864 .75 .3213 .0072 |
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Mn1 0 0 0 .30 .0086 |
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Fe1 0 0 0 .20 .0086 |
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Al1 0 0 0 .34 .0086 |
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Mg1 0 0 0 .16 .0086 |
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Al2 0 0 .5 .0072 |
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Mn3 .3020 .25 .2151 .30 .0126 |
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Fe3 .3020 .25 .2151 .20 .0126 |
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Cu3 .3020 .25 .2151 .13 .0126 |
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Al3 .3020 .25 .2151 .37 .0126 |
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H .062 .25 .341 .05 |
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O1 .2401 .9921 .0327 .0154 |
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O2 .3087 .9763 .3578 .0114 |
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O3 .7998 .0135 .3357 .0139 |
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O4 .0558 .25 .1313 .0095 |
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O5 .0450 .75 .1524 .0116 |
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O6 .0740 .75 .4153 .0101 |
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O7 .5154 .75 .1768 .0162 |
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O8 .5410 .25 .3286 .0208 |
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O9 .6153 .25 .1027 .0203 |
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O10 .0865 .25 .4311 .0093 |
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|
| |
|
Bottinoite |
|
Bonazzi P, Mazzi F |
|
American Mineralogist 81 (1996) 1494-1500 |
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Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond |
|
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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|
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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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|
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|
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|
Kalsilite |
|
Cellai D, Bonazzi P, Carpenter M A |
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American Mineralogist 82 (1997) 276-279 |
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Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning |
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_database_code_amcsd 0001874 |
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5.157 5.157 8.706 90 90 120 P31c |
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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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K 0 0 .25 .0154 .0154 .0187 .0077 0 0 |
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Al1 1/3 2/3 .0594 .0013 .0013 .0112 .00065 0 0 |
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Si2 1/3 2/3 .4416 .0104 .0104 .0058 .0052 0 0 |
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O1 .616 .011 .000 .009 .009 .031 .003 .006 .004 |
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O2 1/3 2/3 .260 .036 .036 .004 .018 0 0 |
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|
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|
| |
|
Epidote |
|
Giuli G, Bonazzi P, Menchetti S |
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American Mineralogist 84 (1999) 933-936 |
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Al-Fe disorder in synthetic epidotes: A single-crystal X-ray diffraction study |
|
Sample: CC11c |
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_database_code_amcsd 0002248 |
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8.891 5.624 10.164 90 115.44 90 P2_1/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaA1 .7574 .75 .1517 .0121 .0112 .0096 0 .0080 0 |
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CaA2 .6047 .75 .4241 .0122 .0183 .0059 0 .0041 0 |
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Si1 .3383 .75 .0467 .0046 .0026 .0100 0 .0035 0 |
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Si2 .6832 .25 .2742 .0069 .0053 .0054 0 .0013 0 |
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Si3 .1834 .75 .3183 .0042 .0047 .0028 0 -.0007 0 |
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Fe1 0 0 0 .08 .0054 .0051 .0056 .0004 .0014 .0011 |
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Al1 0 0 0 .92 .0054 .0051 .0056 .0004 .0014 .0011 |
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Al2 0 0 .5 .0038 .0033 .0069 -.0003 .0030 .0006 |
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Fe3 .2936 .25 .2247 .60 .0035 .0060 .0051 0 .0004 0 |
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Al3 .2936 .25 .2247 .40 .0035 .0060 .0051 0 .0004 0 |
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O1 .2345 .9942 .0416 .0154 .0023 .0086 .0013 .0056 .0025 |
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O2 .3017 .9819 .3535 .0110 .0095 .0097 -.0043 .0053 .0001 |
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O3 .7937 .0128 .3419 .0052 .0080 .0115 -.0020 -.0027 -.0038 |
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O4 .0530 .25 .1298 .0104 .0045 .0114 0 .0090 0 |
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O5 .0418 .75 .1449 .0061 .0091 .0045 0 .0025 0 |
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O6 .0659 .75 .4059 .0118 .0060 .0051 0 .0066 0 |
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O7 .5138 .75 .1807 .0061 .0102 .0100 0 -.0011 0 |
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O8 .5230 .25 .3067 .0294 .0104 .0098 0 .0136 0 |
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O9 .6295 .25 .0996 .0155 .0155 .0150 0 .0067 0 |
|
O10 .0796 .25 .4263 .0066 .0118 .0093 0 .0071 0 |
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|
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|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at room temperature |
|
_database_code_amcsd 0002317 |
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13.006 8.808 5.850 90 90.34 90 P2_1/a |
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atom x y z occ Uiso |
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Ca .81285 .37021 .75327 .00855 |
|
Fe11 .89018 .04961 .00734 .97 .00736 |
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Mg11 .89018 .04961 .00734 .03 .00736 |
|
Fe12 .88999 .05200 .49267 .96 .00662 |
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Al12 .88999 .05200 .49267 .04 .00662 |
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Fe2 .94076 .74006 .24863 .95 .00770 |
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Mn2 .94076 .74006 .24863 .05 .00770 |
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Si1 .95950 .36859 .24925 .00589 |
|
Si2 .67948 .22718 .25216 .00601 |
|
H .7381 .0770 .7381 .036 |
|
O1 .00992 .02941 .73668 .01007 |
|
O21 .93723 .27240 .01584 .00851 |
|
O22 .93527 .27256 .48251 .00822 |
|
O3 .77743 .10907 .25657 .00817 |
|
O41 .67131 .32760 .01900 .00836 |
|
O42 .67037 .33147 .48218 .00786 |
|
O5 .58487 .10063 .25333 .00816 |
|
O6 .60183 .02559 .75255 .01070 |
|
O7 .79796 .10924 .74425 .00849 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 400 deg C |
|
_database_code_amcsd 0002318 |
|
13.015 8.803 5.842 90 90.16 90 P2_1/a |
|
atom x y z occ Uiso |
|
Ca .81287 .37024 .75082 .01025 |
|
Fe11 .89008 .05063 .00746 .97 .00869 |
|
Mg11 .89008 .05063 .00746 .03 .00869 |
|
Fe12 .89002 .05112 .49256 .96 .00844 |
|
Al12 .89002 .05112 .49256 .04 .00844 |
|
Fe2 .94072 .74001 .24967 .95 .00910 |
|
Mn2 .94072 .74001 .24967 .05 .00910 |
|
Si1 .95950 .36867 .24978 .00756 |
|
Si2 .67940 .22725 .25048 .00770 |
|
H .7368 .0734 .7501 .034 |
|
O1 .00972 .02937 .74624 .01339 |
|
O21 .93673 .27236 .01684 .00988 |
|
O22 .93618 .27256 .48296 .01017 |
|
O3 .77741 .10954 .25153 .01054 |
|
O41 .67091 .32943 .01879 .01017 |
|
O42 .67071 .33023 .48127 .01023 |
|
O5 .58492 .10079 .25082 .00920 |
|
O6 .60185 .02546 .75058 .01232 |
|
O7 .79802 .10917 .74867 .01041 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 450 deg C |
|
_database_code_amcsd 0002319 |
|
13.014 8.807 5.846 90 90.10 90 P2_1/a |
|
atom x y z occ Uiso |
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Ca .81287 .37029 .75072 .00958 |
|
Fe11 .89007 .05073 .00734 .97 .00807 |
|
Mg11 .89007 .05073 .00734 .03 .00807 |
|
Fe12 .89000 .05119 .49276 .96 .00799 |
|
Al12 .89000 .05119 .49276 .04 .00799 |
|
Fe2 .94063 .74003 .24975 .95 .00857 |
|
Mn2 .94063 .74003 .24975 .05 .00857 |
|
Si1 .95958 .36863 .24986 .00688 |
|
Si2 .67950 .22731 .25047 .00689 |
|
H .7394 .0789 .7417 .047 |
|
O1 .00985 .02910 .74651 .01293 |
|
O21 .93651 .27249 .01682 .00920 |
|
O22 .93628 .27240 .48262 .00913 |
|
O3 .77748 .10944 .25130 .00967 |
|
O41 .67102 .32928 .01863 .00942 |
|
O42 .67084 .33013 .48177 .00935 |
|
O5 .58485 .10108 .25056 .00907 |
|
O6 .60163 .02554 .75061 .01173 |
|
O7 .79821 .10931 .74935 .00948 |
|
|
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 500 deg C |
|
_database_code_amcsd 0002320 |
|
13.005 8.800 5.847 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
Ca .81303 .37050 .75 .00956 |
|
Fe1 .88996 .05113 .00695 .93 .00802 |
|
Mg1 .88996 .05113 .00695 .03 .00802 |
|
Al1 .88996 .05113 .00695 .04 .00802 |
|
Fe2 .94045 .73995 .25 .95 .00853 |
|
Mn2 .94045 .73995 .25 .05 .00853 |
|
Si1 .95973 .36848 .25 .00683 |
|
Si2 .67954 .22764 .25 .00685 |
|
H .7420 .0727 .75 .062 |
|
O1 .01009 .02908 .75 .01288 |
|
O2 .93650 .27246 .01687 .00907 |
|
O3 .77766 .10957 .25 .00910 |
|
O4 .67089 .33005 .01854 .00920 |
|
O5 .58510 .10122 .25 .00884 |
|
O6 .60152 .02558 .75 .01173 |
|
O7 .79861 .10947 .75 .00965 |
|
|
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|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 550 deg C |
|
_database_code_amcsd 0002321 |
|
13.013 8.802 5.849 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
Ca .81328 .37080 .75 .00891 |
|
Fe1 .88981 .05150 .00594 .93 .00758 |
|
Mg1 .88981 .05150 .00594 .03 .00758 |
|
Al1 .88981 .05150 .00594 .04 .00758 |
|
Fe2 .93991 .73990 .25 .95 .00791 |
|
Mn2 .93991 .73990 .25 .05 .00791 |
|
Si1 .96007 .36831 .25 .00600 |
|
Si2 .67993 .22798 .25 .00632 |
|
H .7438 .0535 .75 .196 |
|
O1 .01067 .02862 .75 .01195 |
|
O2 .93683 .27212 .01684 .00854 |
|
O3 .77793 .10975 .25 .00858 |
|
O4 .67116 .33030 .01831 .00839 |
|
O5 .58548 .10167 .25 .00779 |
|
O6 .60102 .02553 .75 .01138 |
|
O7 .79899 .10990 .75 .00954 |
|
|
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 600 deg C |
|
_database_code_amcsd 0002322 |
|
13.015 8.802 5.847 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
Ca .81393 .37154 .75 .00945 |
|
Fe1 .88955 .05225 .00369 .93 .00790 |
|
Mg1 .88955 .05225 .00369 .03 .00790 |
|
Al1 .88955 .05225 .00369 .04 .00790 |
|
Fe2 .93864 .73969 .25 .95 .00819 |
|
Mn2 .93864 .73969 .25 .05 .00819 |
|
Si1 .96097 .36795 .25 .00618 |
|
Si2 .68078 .22868 .25 .00629 |
|
H .7611 .0717 .75 .088 |
|
O1 .01197 .02755 .75 .01270 |
|
O2 .93765 .27167 .01674 .00887 |
|
O3 .77888 .11065 .25 .00821 |
|
O4 .67178 .33119 .01805 .00882 |
|
O5 .58608 .10232 .25 .00848 |
|
O6 .60011 .02480 .75 .01257 |
|
O7 .80060 .11071 .75 .01066 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 615 deg C |
|
_database_code_amcsd 0002323 |
|
13.012 8.801 5.850 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
Ca .81437 .37215 .75 .00880 |
|
Fe1 .88933 .05276 .00182 .93 .00750 |
|
Mg1 .88933 .05276 .00182 .03 .00750 |
|
Al1 .88933 .05276 .00182 .04 .00750 |
|
Fe2 .93779 .73957 .25 .95 .00779 |
|
Mn2 .93779 .73957 .25 .05 .00779 |
|
Si1 .96151 .36769 .25 .00573 |
|
Si2 .68148 .22939 .25 .00576 |
|
H .7629 .0549 .75 .115 |
|
O1 .01277 .02720 .75 .01215 |
|
O2 .93804 .27138 .01656 .00855 |
|
O3 .77963 .11118 .25 .00752 |
|
O4 .67208 .33193 .01836 .00826 |
|
O5 .58682 .10303 .25 .00818 |
|
O6 .59924 .02467 .75 .01283 |
|
O7 .80151 .11156 .75 .01056 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 625 deg C |
|
_database_code_amcsd 0002324 |
|
13.007 8.805 5.844 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
Ca .81461 .37226 .75 .00996 |
|
Fe1 .88925 .05298 .00143 .93 .00840 |
|
Mg1 .88925 .05298 .00143 .03 .00840 |
|
Al1 .88925 .05298 .00143 .04 .00840 |
|
Fe2 .93739 .73945 .25 .95 .00859 |
|
Mn2 .93739 .73945 .25 .05 .00859 |
|
Si1 .96180 .36767 .25 .00661 |
|
Si2 .68167 .22961 .25 .00658 |
|
O1 .01293 .02673 .75 .01315 |
|
O2 .93843 .27132 .01651 .00963 |
|
O3 .77989 .11128 .25 .00862 |
|
O4 .67217 .33186 .01774 .00924 |
|
O5 .58696 .10293 .25 .00962 |
|
O6 .59906 .02465 .75 .01432 |
|
O7 .80173 .11110 .75 .01189 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 660 deg C |
|
_database_code_amcsd 0002325 |
|
13.008 8.802 5.842 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
Ca .81562 .37326 .75 .00957 |
|
Fe1 .88880 .05419 -.00169 .93 .00773 |
|
Mg1 .88880 .05419 -.00169 .03 .00773 |
|
Al1 .88880 .05419 -.00169 .04 .00773 |
|
Fe2 .93565 .73917 .25 .95 .00830 |
|
Mn2 .93565 .73917 .25 .05 .00830 |
|
Si1 .96320 .36724 .25 .00639 |
|
Si2 .68289 .23103 .25 .00589 |
|
O1 .01464 .02588 .75 .01118 |
|
O2 .93945 .27077 .01623 .00937 |
|
O3 .78146 .11217 .25 .00818 |
|
O4 .67292 .33335 .01754 .00901 |
|
O5 .58862 .10440 .25 .00950 |
|
O6 .59678 .02416 .75 .01465 |
|
O7 .80392 .11225 .75 .01128 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 675 deg C |
|
_database_code_amcsd 0002326 |
|
13.013 8.804 5.841 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
Ca .81593 .37354 .75 .01083 |
|
Fe1 .88868 .05457 -.00250 .93 .00878 |
|
Mg1 .88868 .05457 -.00250 .03 .00878 |
|
Al1 .88868 .05457 -.00250 .04 .00878 |
|
Fe2 .93508 .73909 .25 .95 .00950 |
|
Mn2 .93508 .73909 .25 .05 .00950 |
|
Si1 .96364 .36719 .25 .00757 |
|
Si2 .68322 .23152 .25 .00695 |
|
O1 .01507 .02534 .75 .01265 |
|
O2 .93994 .27073 .01641 .01065 |
|
O3 .78199 .11239 .25 .00939 |
|
O4 .67321 .33364 .01744 .01038 |
|
O5 .58908 .10482 .25 .01108 |
|
O6 .59638 .02413 .75 .01602 |
|
O7 .80464 .11229 .75 .01247 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 84 (1999) 1604-1612 |
|
Structural adjustments induced by heat treatment in ilvaite |
|
Sample: RM at T = 700 deg C |
|
_database_code_amcsd 0002327 |
|
13.006 8.804 5.836 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
Ca .81636 .37376 .75 .01285 |
|
Fe1 .88856 .05505 -.00357 .93 .01016 |
|
Mg1 .88856 .05505 -.00357 .03 .01016 |
|
Al1 .88856 .05505 -.00357 .04 .01016 |
|
Fe2 .93421 .73921 .25 .95 .01120 |
|
Mn2 .93421 .73921 .25 .05 .01120 |
|
Si1 .96437 .36704 .25 .00966 |
|
Si2 .68385 .23199 .25 .00801 |
|
O1 .01573 .02467 .75 .01451 |
|
O2 .94065 .27065 .01616 .01267 |
|
O3 .78262 .11255 .25 .01139 |
|
O4 .67356 .33367 .01641 .01305 |
|
O5 .58968 .10488 .25 .01315 |
|
O6 .59543 .02378 .75 .01897 |
|
O7 .80613 .11229 .75 .01357 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Okayamalite |
| |
Giuli G, Bindi L, Bonazzi P |
|
American Mineralogist 85 (2000) 1512-1515 |
|
Rietveld refinement of okayamalite, Ca2SiB2O7: Structural evidence for the |
|
B/Si ordered distribution |
|
_database_code_amcsd 0002589 |
|
7.1248 7.1248 4.8177 90 90 90 P-42_1m |
|
atom x y z Uiso |
|
Ca .3384 .1616 .5080 .020 |
|
SiT1 0 0 0 .019 |
|
BT2 .1408 .3592 .9470 .013 |
|
O1 .5 0 .1460 .013 |
|
O2 .1424 .3576 .2517 .013 |
|
O3 .0782 .1777 .8105 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hardystonite |
|
Bindi L, Bonazzi P, Rothlisberger F |
|
American Mineralogist 86 (2001) 747-751 |
|
Hardystonite from Franklin Furnace: A natural modulated melilite |
|
_database_code_amcsd 0002657 |
|
7.800 7.800 5.000 90 90 90 P-42_1m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaX .3326 .1674 .5059 .93 .0240 .0240 .0140 .0104 .0016 -.0016 |
|
NaX .3326 .1674 .5059 .07 .0240 .0240 .0140 .0104 .0016 -.0016 |
|
Zn1 0 0 0 .85 .0125 .0125 .0127 0 0 0 |
|
Al1 0 0 0 .07 .0125 .0125 .0127 0 0 0 |
|
Mg1 0 0 0 .03 .0125 .0125 .0127 0 0 0 |
|
Mn1 0 0 0 .04 .0125 .0125 .0127 0 0 0 |
|
Fe1 0 0 0 .02 .0125 .0125 .0127 0 0 0 |
|
Si2 .1400 .3600 .9386 .0124 .0124 .0099 .0006 .0005 -.0005 |
|
O1 .5 0 .1777 .038 .038 .009 -.026 0 0 |
|
O2 .1410 .3590 .2569 .027 .027 .011 .010 -.002 .002 |
|
O3 .0820 .1872 .7867 .045 .020 .017 -.010 .009 -.003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Leightonite |
|
Menchetti S, Bindi L, Bonazzi P, Olmi F |
|
American Mineralogist 87 (2002) 721-725 |
|
Disordered distribution of Cu in the crystal structure of leightonite, |
|
K2Ca2Cu(SO4)4.2H2O |
|
_database_code_amcsd 0002814 |
|
11.654 7.497 10.097 90 125.21 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) |
|
K .5889 .6223 .4264 .5 .0182 .0186 .0155 .0210 -.0001 .0117 -.0027 |
|
Wat .5889 .6223 .4264 .5 .0182 .0186 .0155 .0210 -.0001 .0117 -.0027 |
|
Ca 1/2 .1261 .25 .0112 .0101 .0094 .0133 0 .0062 0 |
|
Cu1 .25 3/4 0 .37 .0114 .0102 .0094 .0126 -.0036 .0054 -.0007 |
|
Cu2 0 0 0 .31 .0135 .012 .011 .020 -.003 .010 .011 |
|
S .6935 .1228 .6374 .0096 .0079 .0108 .0081 -.0017 .0035 -.0004 |
|
O1 .8544 .5914 .7579 .0167 .015 .022 .013 .004 .008 -.002 |
|
O2 .6599 -.0317 .5290 .0177 .018 .015 .016 -.003 .008 -.004 |
|
O3 .6546 .6558 .7624 .0161 .007 .022 .015 .004 .004 .001 |
|
O4 .6163 .2760 .5289 .0185 .019 .018 .018 .009 .010 .011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mottanaite-(Ce) |
| |
Della Ventura G, Bonazzi P, Oberti R, Ottolini L |
|
American Mineralogist 87 (2002) 739-744 |
|
Ciprianiite and mottanaite-(Ce), two new minerals |
|
of the hellandite group from Latium (Italy) |
|
_database_code_amcsd 0002818 |
|
19.032 4.746 10.248 90 110.97 90 P2/a |
|
atom x y z occ Biso |
|
B1 .1732 .5316 .4513 .56 |
|
B2 .2542 .4670 .1331 .44 |
|
Si1 .1039 .4834 .6508 .50 |
|
Si2 .1126 .4992 .1612 .55 |
|
BeT .0393 .5424 .8668 .590 .92 |
|
LiT .0393 .5424 .8668 .013 .92 |
|
AlM1 0 0 0 .497 .74 |
|
FeM1 0 0 0 .384 .74 |
|
TiM1 0 0 0 .070 .74 |
|
MgM1 0 0 0 .035 .74 |
|
CaM2 .0424 .0149 .3612 .186 .56 |
|
LaM2 .0424 .0149 .3612 .228 .56 |
|
CeM2 .0424 .0149 .3612 .386 .56 |
|
YM2 .0424 .0149 .3612 .003 .56 |
|
PrM2 .0424 .0149 .3612 .034 .56 |
|
NdM2 .0424 .0149 .3612 .071 .56 |
|
SmM2 .0424 .0149 .3612 .004 .56 |
|
EuM2 .0424 .0149 .3612 .001 .56 |
|
GdM2 .0424 .0149 .3612 .003 .56 |
|
ThM2 .0424 .0149 .3612 .076 .56 |
|
UM2 .0424 .0149 .3612 .008 .56 |
|
CaM3 .2471 .0032 .6614 .72 |
|
CaM4 .1570 -.0285 .9314 .85 |
|
O1 .0443 .2410 .5674 .73 |
|
O2 .1778 .3191 .7546 .70 |
|
O3 .0697 -.3100 .7410 1.52 |
|
O4 .1320 -.3296 .5416 .75 |
|
F5 .0367 .1967 .8716 .245 1.12 |
|
OH5 .0367 .1967 .8716 .272 1.12 |
|
O6 .2466 -.2416 .8582 .97 |
|
O7 .1666 .2332 .4443 .59 |
|
O8 .1324 .6756 .3071 1.05 |
|
O9 .1861 .3259 .1584 .85 |
|
O10 .0852 .7237 .0369 1.55 |
|
O11 .0506 .2608 .1566 1.69 |
|
O12 .25 .3369 0 .59 |
|
O13 .25 .6495 .5 .62 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ciprianiite |
| |
Della Ventura G, Bonazzi P, Oberti R, Ottolini L |
|
American Mineralogist 87 (2002) 739-744 |
|
Ciprianiite and mottanaite-(Ce), two new minerals |
|
of the hellandite group from Latium (Italy) |
|
_database_code_amcsd 0002819 |
|
19.059 4.729 10.291 90 111.33 90 P2/a |
|
atom x y z occ Biso |
|
B1 .1733 .5268 .4515 .75 |
|
B2 .2529 .4618 .1329 .71 |
|
Si1 .1039 .4849 .6501 .64 |
|
Si2 .1127 .4975 .1616 .71 |
|
BeT .038 .535 .869 .409 1.41 |
|
LiT .038 .535 .869 .019 1.41 |
|
AlM1 0 0 0 .479 .73 |
|
FeM1 0 0 0 .377 .73 |
|
TiM1 0 0 0 .097 .73 |
|
MgM1 0 0 0 .047 .73 |
|
MnM1 0 0 0 .016 .73 |
|
CaM2 .0429 .0175 .3598 .302 .66 |
|
LaM2 .0429 .0175 .3598 .045 .66 |
|
CeM2 .0429 .0175 .3598 .176 .66 |
|
YM2 .0429 .0175 .3598 .008 .66 |
|
PrM2 .0429 .0175 .3598 .027 .66 |
|
NdM2 .0429 .0175 .3598 .095 .66 |
|
SmM2 .0429 .0175 .3598 .010 .66 |
|
EuM2 .0429 .0175 .3598 .001 .66 |
|
GdM2 .0429 .0175 .3598 .004 .66 |
|
DyM2 .0429 .0175 .3598 .001 .66 |
|
ThM2 .0429 .0175 .3598 .314 .66 |
|
UM2 .0429 .0175 .3598 .017 .66 |
|
CaM3 .2476 .0017 .6611 .88 |
|
CaM4 .1564 .9652 .9312 .85 |
|
H .04 .42 .90 .272 1.6 |
|
O1 .0444 .2441 .5673 .85 |
|
O2 .1786 .3179 .7584 .87 |
|
O3 .0715 .6991 .7351 1.32 |
|
O4 .1331 .6672 .5411 .94 |
|
F5 .0370 .1935 .8700 .245 1.13 |
|
Oh5 .0370 .1935 .8700 .272 1.13 |
|
O6 .2471 .7583 .8585 .82 |
|
O7 .1680 .2285 .4464 .80 |
|
O8 .1330 .6707 .3090 1.02 |
|
O9 .1864 .3260 .1581 .97 |
|
O10 .0847 .7297 .0395 1.31 |
|
O11 .0520 .2556 .1558 1.30 |
|
O12 .25 .3353 0 .91 |
|
O13 .25 .6481 .5 .84 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 87 (2002) 845-852 |
|
Structural properties and heat-induced oxidation-dehydrogenation of |
|
manganoan ilvaite from Perda Niedda mine, Sardinia, Italy |
|
Sample: PN6-RT, Crystal at room temperature |
|
_database_code_amcsd 0002848 |
|
13.014 8.867 5.838 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
CaA .81315 .37051 .75 .98 .0087 |
|
MnA .81315 .37051 .75 .02 .0087 |
|
FeM1 .89039 .05037 .00620 .0072 |
|
MnM2 .93911 .73858 .25 .72 .0075 |
|
FeM2 .93911 .73858 .25 .28 .0075 |
|
Si1 .95892 .36652 .25 .0060 |
|
Si2 .67992 .22666 .25 .0060 |
|
O1 .0093 .0250 .75 .0124 |
|
O2 .9367 .2712 .0152 .0086 |
|
O3 .7771 .1081 .25 .0088 |
|
O4 .6716 .3292 .0183 .0086 |
|
O5 .5844 .1025 .25 .0085 |
|
O6 .6039 .0207 .75 .0121 |
|
O7 .7978 .1100 .75 .0087 |
|
H .737 .068 .75 .026 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 87 (2002) 845-852 |
|
Structural properties and heat-induced oxidation-dehydrogenation of |
|
manganoan ilvaite from perda Niedda mine, Sardinia, Italy |
|
Sample: PN6-400, Crystal at room temperature, annealed at 400 C for 48 hrs |
|
_database_code_amcsd 0002849 |
|
13.015 8.868 5.842 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
CaA .81319 .37053 .75 .98 .0084 |
|
MnA .81319 .37053 .75 .02 .0084 |
|
FeM1 .89034 .05046 .00585 .0071 |
|
MnM2 .93914 .73861 .25 .72 .0072 |
|
FeM2 .93914 .73861 .25 .28 .0072 |
|
Si1 .95900 .36670 .25 .0057 |
|
Si2 .67995 .22664 .25 .0059 |
|
O1 .0096 .0257 .75 .0123 |
|
O2 .9367 .2714 .0155 .0085 |
|
O3 .7771 .1080 .25 .0086 |
|
O4 .6716 .3292 .0186 .0082 |
|
O5 .5846 .1022 .25 .0081 |
|
O6 .6036 .0211 .75 .0121 |
|
O7 .7978 .1101 .75 .0085 |
|
H .740 .071 .75 .018 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 87 (2002) 845-852 |
|
Structural properties and heat-induced oxidation-dehydrogenation of |
|
manganoan ilvaite from perda Niedda mine, Sardinia, Italy |
|
Sample: PN6-500, Crystal at room temperature, annealed at 500 C for 48 hrs |
|
_database_code_amcsd 0002850 |
|
13.008 8.865 5.845 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
CaA .81372 .37114 .75 .98 .0089 |
|
MnA .81372 .37114 .75 .02 .0089 |
|
FeM1 .89014 .05101 .00451 .0074 |
|
MnM2 .93837 .73842 .25 .72 .0077 |
|
FeM2 .93837 .73842 .25 .28 .0077 |
|
Si1 .95958 .36646 .25 .0060 |
|
Si2 .68051 .22740 .25 .0062 |
|
O1 .0100 .0252 .75 .01231 |
|
O2 .9372 .2711 .0155 .0088 |
|
O3 .7776 .1089 .25 .0085 |
|
O4 .6720 .3299 .0184 .0083 |
|
O5 .5850 .1031 .25 .0082 |
|
O6 .6028 .0208 .75 .0128 |
|
O7 .7983 .1113 .75 .0094 |
|
H .746 .070 .75 .05 |
|
|
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 87 (2002) 845-852 |
|
Structural properties and heat-induced oxidation-dehydrogenation of |
|
manganoan ilvaite from perda Niedda mine, Sardinia, Italy |
|
Sample: PN6-600, Crystal at room temperature, annealed at 600 C for 48 hrs |
|
_database_code_amcsd 0002851 |
|
12.993 8.864 5.837 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
CaA .81602 .37350 .75 .98 .0102 |
|
MnA .81602 .37350 .75 .02 .0102 |
|
FeM1 .88944 .05336 -.00094 .0086 |
|
MnM2 .93451 .73764 .25 .72 .0092 |
|
FeM2 .93451 .73764 .25 .28 .0092 |
|
Si1 .9623 .3655 .25 .0069 |
|
Si2 .6829 .2303 .25 .0071 |
|
O1 .0132 .0229 .75 .0127 |
|
O2 .9393 .2699 .0151 .0105 |
|
O3 .7809 .1111 .25 .0085 |
|
O4 .6734 .3326 .0184 .0094 |
|
O5 .5880 .1054 .25 .0111 |
|
O6 .5995 .0195 .75 .0172 |
|
O7 .8026 .1140 .75 .0121 |
|
H .788 .058 .75 .07 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 87 (2002) 845-852 |
|
Structural properties and heat-induced oxidation-dehydrogenation of |
|
manganoan ilvaite from perda Niedda mine, Sardinia, Italy |
|
Sample: PN6-650, Crystal at room temperature, annealed at 650 C for 48 hrs |
|
_database_code_amcsd 0002852 |
|
12.983 8.868 5.822 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
CaA .81841 .37552 .75 .98 .0108 |
|
MnA .81841 .37552 .75 .02 .0108 |
|
FeM1 .88865 .05553 -.00472 .0081 |
|
MnM2 .93070 .73692 .25 .72 .0094 |
|
FeM2 .93070 .73692 .25 .28 .0094 |
|
Si1 .9647 .3644 .25 .0075 |
|
Si2 .6853 .2333 .25 .0066 |
|
O1 .0149 .0214 .75 .0112 |
|
O2 .9423 .2690 .0147 .0103 |
|
O3 .7832 .1139 .25 .0092 |
|
O4 .6757 .3351 .0168 .0101 |
|
O5 .5908 .1083 .25 .0109 |
|
O6 .5959 .0184 .75 .0173 |
|
O7 .8067 .1147 .75 .0113 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 87 (2002) 845-852 |
|
Structural properties and heat-induced oxidation-dehydrogenation of |
|
manganoan ilvaite from perda Niedda mine, Sardinia, Italy |
|
Sample: PN6-675, Crystal at room temperature, annealed at 675 C for 48 hrs |
|
_database_code_amcsd 0002853 |
|
12.992 8.869 5.820 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
CaA .81901 .37614 .75 .98 .0114 |
|
MnA .81901 .37614 .75 .02 .0114 |
|
FeM1 .88846 .05634 -.00567 .0081 |
|
MnM2 .92967 .73665 .25 .72 .0097 |
|
FeM2 .92967 .73665 .25 .28 .0097 |
|
Si1 .9654 .3644 .25 .0080 |
|
Si2 .6861 .2343 .25 .0065 |
|
O1 .0154 .0212 .75 .0114 |
|
O2 .9430 .2687 .0147 .0109 |
|
O3 .7838 .1148 .25 .0095 |
|
O4 .6761 .3359 .0164 .0103 |
|
O5 .5917 .1089 .25 .0107 |
|
O6 .5951 .0183 .75 .0182 |
|
O7 .8074 .1149 .75 .0110 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ilvaite |
|
Bonazzi P, Bindi L |
|
American Mineralogist 87 (2002) 845-852 |
|
Structural properties and heat-induced oxidation-dehydrogenation of |
|
manganoan ilvaite from perda Niedda mine, Sardinia, Italy |
|
Sample: PN6-690, Crystal at room temperature, annealed at 690 C for 48 hrs |
|
_database_code_amcsd 0002854 |
|
13.015 8.873 5.816 90 90 90 Pnam |
|
atom x y z occ Uiso |
|
CaA .81955 .37599 .75 .98 .0132 |
|
MnA .81955 .37599 .75 .02 .0132 |
|
FeM1 .88830 .05682 -.00600 .0094 |
|
MnM2 .92869 .73676 .25 .72 .01110 |
|
FeM2 .92869 .73676 .25 .28 .01110 |
|
Si1 .9666 .3638 .25 .0095 |
|
Si2 .6869 .2349 .25 .0073 |
|
O1 .0162 .0198 .75 .0137 |
|
O2 .9439 .2683 .0143 .0125 |
|
O3 .7850 .1144 .25 .0120 |
|
O4 .6761 .3358 .0159 .0135 |
|
O5 .5922 .1091 .25 .0128 |
|
O6 .5928 .0181 .75 .0219 |
|
O7 .8095 .1151 .75 .0114 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gatelite-(Ce) |
| |
Bonazzi P, Bindi L, Parodi G C |
|
American Mineralogist 88 (2003) 223-228 |
|
Gatelite-(Ce), a new REE-bearing mineral from Trimouns, French Pyrenees: |
|
Crystal structure and polysomatic relationships with epidote and |
|
tornebohmite-(Ce) |
|
_database_code_amcsd 0002975 |
|
17.770 5.651 17.458 90 116.18 90 P2_1/a |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1 .36462 .25491 .41008 .0108 .0131 .0103 .0095 -.0022 .0056 .0022 |
|
CeA2 .44606 .23572 .25014 .98 .0075 .0071 .0082 .0060 .0003 .0019 .0001 |
|
CaA2 .44606 .23572 .25014 .02 .0075 .0071 .0082 .0060 .0003 .0019 .0001 |
|
CeA3 .36921 .28197 .00984 .96 .0097 .0118 .0093 .0057 .0010 .0018 .0004 |
|
CaA3 .36921 .28197 .00984 .04 .0097 .0118 .0093 .0057 .0010 .0018 .0004 |
|
CeA4 .03878 .74136 .16607 .95 .0078 .0068 .0089 .0062 .0003 .0017 .0003 |
|
CaA4 .03878 .74136 .16607 .05 .0078 .0068 .0089 .0062 .0003 .0017 .0003 |
|
AlM1 .2497 .4972 .5005 .80 .0102 .0088 .0106 .0103 .0014 .0034 .0016 |
|
MgM1 .2497 .4972 .5005 .20 .0102 .0088 .0106 .0103 .0014 .0034 .0016 |
|
AlM2a .2400 .4993 .2030 .0058 .0052 .0050 .0067 .0006 .0023 .0009 |
|
AlM2b .2402 .0003 .2064 .0057 .0053 .0049 .0069 .0005 .0028 -.0005 |
|
FeM3 .0987 .7500 .3769 .35 .0108 .0077 .0109 .0148 .0034 .0058 .0045 |
|
MgM3 .0987 .7500 .3769 .34 .0108 .0077 .0109 .0148 .0034 .0058 .0045 |
|
AlM3 .0987 .7500 .3769 .31 .0108 .0077 .0109 .0148 .0034 .0058 .0045 |
|
Si1 .0807 .2479 .4765 .0064 .0052 .0064 .0061 .0003 .0010 -.0006 |
|
Si2 .4023 .7496 .3350 .0053 .0056 .0046 .0058 .0004 .0025 -.0007 |
|
Si3 .1521 .2467 .3127 .0055 .0042 .0069 .0051 .0004 .0018 .0001 |
|
Si4 .3350 .7381 .1031 .0057 .0056 .0049 .0064 .0005 .0024 .0001 |
|
Si5 .0771 .2505 .0772 .0059 .0061 .0051 .0049 -.0004 .0009 .0004 |
|
O1a .1322 .4903 .4807 .0101 .010 .007 .014 -.003 .005 -.002 |
|
O1b .3678 .5052 .5211 .0121 .009 .006 .022 -.001 .008 -.001 |
|
O2a .0899 .4733 .2904 .0112 .013 .012 .011 .004 .007 .001 |
|
O2b .0897 .0215 .2893 .0104 .009 .013 .012 -.003 .007 -.003 |
|
O3a .3450 .9876 .2993 .0096 .007 .006 .010 -.002 -.001 .001 |
|
O3b .3472 .5118 .2954 .0078 .005 .009 .009 -.004 .003 -.001 |
|
O4 .2224 .7471 .4242 .0087 .009 .008 .009 -.002 .003 -.001 |
|
O5 .2258 .2461 .4126 .0094 .008 .011 .009 .002 .003 .001 |
|
O6 .2083 .2530 .2587 .0072 .006 .007 .011 .001 .006 .002 |
|
O7 -.0101 .24969 .3976 .0173 .006 .013 .019 -.006 -.007 .010 |
|
O8 -.0224 .73239 .3100 .0151 .011 .020 .018 .002 .010 .002 |
|
O9 .4349 .7400 .4380 .0147 .013 .027 .008 -.001 .008 .003 |
|
O10 .2789 .2483 .1614 .0072 .008 .005 .009 -.001 .004 .002 |
|
O11 .2019 .7475 .2490 .0089 .009 .010 .008 .000 .004 -.001 |
|
O12 .2692 .7544 .1471 .0075 .006 .009 .008 .001 .003 -.001 |
|
O13 .1347 .4928 .1058 .0089 .009 .008 .007 -.001 .001 .001 |
|
O14 .3917 .9758 .1246 .0089 .007 .009 .011 -.002 .005 -.001 |
|
O15 .2758 .6711 .0046 .0115 .012 .014 .006 -.003 .002 -.001 |
|
O16 .1335 .0108 .1145 .0091 .007 .006 .011 .001 .001 .001 |
|
O17 .0323 .2178 -.0243 .0234 .034 .021 .006 -.014 .001 -.001 |
|
O18 .4032 .5230 .1411 .0093 .012 .006 .009 .002 .004 .002 |
|
O19 .0105 .2753 .1157 .0165 .012 .019 .023 -.002 .012 -.005 |
|
H1 .21 .75 .31 .06 |
|
H2 .25 .28 .10 .04 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Alacranite |
|
Bonazzi P, Bindi L, Popova V, Pratesi G, Menchetti S |
|
American Mineralogist 88 (2003) 1796-1800 |
|
Alacranite, As8S9: structural study of the holotype and re-assignment |
|
of the original chemical formula |
|
_database_code_amcsd 0003185 |
|
9.942 9.601 9.178 90 101.94 90 P2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .0190 .2227 .9418 .058 .054 .075 .043 .011 .008 .018 |
|
As2 .1653 .4149 .8541 .049 .036 .043 .064 -.003 .001 -.009 |
|
As3 .4408 .3214 .4333 .043 .058 .035 .037 -.010 .013 -.005 |
|
As4 .3750 .0312 .1774 .045 .057 .045 .036 -.017 .015 -.015 |
|
S1 0 .0768 3/4 .072 .082 .034 .098 0 .012 0 |
|
S2 0 .5590 3/4 .097 .076 .031 .165 0 -.020 0 |
|
S3 .1854 .3210 .6404 .067 .034 .117 .053 -.005 .021 .002 |
|
S4 .2806 .1733 .3216 .036 .029 .051 .035 .008 .019 -.006 |
|
S5 1/2 .4457 .25 .046 .071 .031 .043 0 .027 0 |
|
S6 .3944 .1671 -.0114 .045 .056 .040 .037 .009 .008 .007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Wakabayashilite |
|
Bonazzi P, Lampronti G I, Bindi L, Zandari S |
|
American Mineralogist 90 (2005) 1108-1114 |
|
Wakabayashilite, [(As,Sb)6S9][As4S5]: crystal structure, psuedosymmetry, twinning, |
|
and revised chemical formula |
|
Sample: White Caps Mine, Nevada |
|
_database_code_amcsd 0003797 |
|
25.262 14.563 6.492 90 90 90 Pna2_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) |
|
As1 .4694 .2798 .2510 .79 .041 .036 .049 .037 -.005 -.000 .004 |
|
Sb1 .4694 .2798 .2510 .21 .041 .036 .049 .037 -.005 -.000 .004 |
|
As2 .4398 .2207 .7445 .0416 .034 .050 .041 .005 -.001 -.003 |
|
As3 .3752 .4355 .7495 .81 .039 .031 .053 .033 .002 .004 .001 |
|
Sb3 .3752 .4355 .7495 .19 .039 .031 .053 .033 .002 .004 .001 |
|
As4 .3309 .4503 .2427 .98 .038 .038 .046 .032 .000 .004 -.001 |
|
Sb4 .3309 .4503 .2427 .02 .038 .038 .046 .032 .000 .004 -.001 |
|
As5 .0948 .1560 .7508 .81 .040 .041 .047 .034 -.004 .002 .008 |
|
Sb5 .0948 .1560 .7508 .19 .040 .041 .047 .034 -.004 .002 .008 |
|
As6 .1098 .2295 .2438 .91 .042 .036 .052 .037 .001 .002 .002 |
|
Sb6 .1098 .2295 .2438 .09 .042 .036 .052 .037 .001 .002 .002 |
|
As7 .3289 .0167 .758 .071 .074 .076 .062 -.024 .013 -.018 |
|
As8 .2964 .1114 .432 .079 .044 .071 .122 -.010 .016 -.023 |
|
As9 .2129 .3614 .8339 .0387 .039 .045 .032 -.005 -.001 -.004 |
|
As10 .0770 .4973 .843 .064 .054 .061 .076 .002 .021 .005 |
|
S1 .4946 .1738 .997 .046 .041 .068 .029 .005 -.004 -.005 |
|
S2 .0011 .3218 .494 .041 .036 .051 .036 -.0010 -.002 .004 |
|
S3 .4589 .3746 .745 .047 .039 .041 .060 .003 -.0012 .001 |
|
S4 .3393 .3371 .995 .039 .033 .053 .032 -.006 .006 .005 |
|
S5 .3344 .3451 .497 .046 .050 .046 .043 -.013 -.004 .004 |
|
S6 .4169 .4970 .247 .047 .038 .041 .062 .002 -.014 -.008 |
|
S7 .1623 .1601 .998 .037 .032 .038 .041 -.006 .001 -.002 |
|
S8 .1607 .1683 .500 .047 .032 .068 .041 .008 .001 -.012 |
|
S9 .0431 .1225 .243 .044 .037 .039 .055 .002 .005 -.004 |
|
S10 .2528 .0020 .260 .058 .048 .067 .060 .004 .005 .015 |
|
S11 .2077 .3802 .179 .050 .047 .048 .054 .003 -.005 .007 |
|
S12 .1267 .3779 .723 .046 .046 .033 .058 .007 -.008 -.011 |
|
S13 .0876 .4987 .189 .058 .047 .065 .063 .007 -.004 .005 |
|
S14 .3726 .1209 .256 .050 .056 .037 .056 .008 .003 .002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bazhenovite |
|
Bindi L, Bonazzi P, Dei L, Zoppi A |
|
American Mineralogist 90 (2005) 1556-1562 |
|
Does the bazhenovite structure really contain a thiosulfate group? |
|
A structural and spectroscopic study of a sample from the type locality |
|
Sample: Chelyabinsk coal basin, South Urals, Russia |
|
_database_code_amcsd 0003932 |
|
8.391 17.346 8.221 90 119.33 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) |
|
Ca1 .2548 .2476 .3706 .0261 .020 .039 .015 -.010 .005 -.005 |
|
Ca2 .7542 .2475 .6201 .0279 .020 .046 .012 .006 .003 .003 |
|
O1 .1303 .3186 .0641 .035 .038 .036 .030 -.001 .016 .002 |
|
O2 .3739 .3207 .6730 .027 .014 .053 .014 -.004 .008 -.002 |
|
O3 .7512 .3153 .8665 .033 .023 .045 .031 -.001 .014 .001 |
|
O4 .5105 .3231 .3983 .032 .013 .044 .029 -.012 .003 -.005 |
|
O5 .0007 .1745 .1438 .027 .030 .044 .023 -.003 .025 -.004 |
|
O6 .5063 .1722 .5943 .027 .038 .038 .008 -.006 .013 -.007 |
|
O7 -.0036 .3249 .3393 .036 .020 .043 .041 .001 .012 -.001 |
|
Ow1 .350 .496 .816 .60 .070 .058 .060 .080 -.007 .024 -.002 |
|
Ow2 .312 .473 .658 .40 .089 .100 .016 .179 .055 .090 .049 |
|
S1 .811 .504 .897 .44 .050 .061 .055 .030 -.006 .019 -.001 |
|
S2 .761 .502 .786 .44 .049 .095 .028 .034 .005 .040 -.003 |
|
S3 .904 .500 .672 .34 .091 .136 .089 .086 -.032 .084 -.028 |
|
S4 -.006 .498 .199 .51 .092 .169 .053 .056 -.021 .055 -.012 |
|
S5 .580 .499 .653 .23 .078 .090 .106 .016 -.005 .009 -.021 |
|
S6 .438 .494 .520 .23 .050 .104 .038 .037 .001 .056 .005 |
|
H1a .004 .312 .004 |
|
H1b .173 .368 .108 |
|
H2a .500 .320 .745 |
|
H3b .770 .367 .853 |
|
H4b .499 .383 .407 |
|
H46a .508 .325 .247 |
|
H5b -.040 .377 .649 |
|
H57a -.002 .325 .491 |
|
Hw1 .288 .497 .875 .60 |
|
Hw2 .351 .531 .729 .60 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pyrochlore |
|
Bonazzi P, Bindi L, Zoppi M, Capitani G C, Olmi F |
|
American Mineralogist 91 (2006) 794-801 |
|
Single-crystal diffraction and transmission electron microscopy studies |
|
of "silicified" pyrochlore from Narssarssk, Julianehaab district, Greenland |
|
Locality: Narssarssk, Julianehaab district, Greenland |
|
Sample: 396a |
|
_database_code_amcsd 0004144 |
|
10.4200 10.4200 10.4200 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
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 .5 .5 .5 .185 .024 .024 .024 .024 .0011 .0011 .0011 |
|
K .5 .5 .5 .010 .024 .024 .024 .024 .0011 .0011 .0011 |
|
Ca .5 .5 .5 .365 .024 .024 .024 .024 .0011 .0011 .0011 |
|
Sr .5 .5 .5 .035 .024 .024 .024 .024 .0011 .0011 .0011 |
|
Mn .5 .5 .5 .020 .024 .024 .024 .024 .0011 .0011 .0011 |
|
Pb .5 .5 .5 .005 .024 .024 .024 .024 .0011 .0011 .0011 |
|
La .5 .5 .5 .005 .024 .024 .024 .024 .0011 .0011 .0011 |
|
Ce .5 .5 .5 .015 .024 .024 .024 .024 .0011 .0011 .0011 |
|
Nd .5 .5 .5 .005 .024 .024 .024 .024 .0011 .0011 .0011 |
|
U .5 .5 .5 .010 .024 .024 .024 .024 .0011 .0011 .0011 |
|
Nb 0 0 0 .860 .0198 .0198 .0198 .0198 -.0018 -.0018 -.0018 |
|
Ta 0 0 0 .010 .0198 .0198 .0198 .0198 -.0018 -.0018 -.0018 |
|
Ti 0 0 0 .080 .0198 .0198 .0198 .0198 -.0018 -.0018 -.0018 |
|
Si 0 0 0 .035 .0198 .0198 .0198 .0198 -.0018 -.0018 -.0018 |
|
Fe 0 0 0 .015 .0198 .0198 .0198 .0198 -.0018 -.0018 -.0018 |
|
O .3175 .125 .125 .838 .0228 .027 .021 .021 0 0 .008 |
|
OH .3175 .125 .125 .162 .0228 .027 .021 .021 0 0 .008 |
|
F .375 .375 .375 .62 .044 .044 .044 .044 0 0 0 |
|
OH .375 .375 .375 .38 .044 .044 .044 .044 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrochlore |
|
Bonazzi P, Bindi L, Zoppi M, Capitani G C, Olmi F |
|
American Mineralogist 91 (2006) 794-801 |
|
Single-crystal diffraction and transmission electron microscopy studies |
|
of "silicified" pyrochlore from Narssarssk, Julianehaab district, Greenland |
|
Locality: Narssarssk, Julianehaab district, Greenland |
|
Sample: 170a |
|
_database_code_amcsd 0004145 |
|
10.3738 10.3738 10.3738 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
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 .5 .5 .5 .090 .026 .026 .026 .026 .0053 .0053 .0053 |
|
K .5 .5 .5 .025 .026 .026 .026 .026 .0053 .0053 .0053 |
|
Ca .5 .5 .5 .360 .026 .026 .026 .026 .0053 .0053 .0053 |
|
Sr .5 .5 .5 .040 .026 .026 .026 .026 .0053 .0053 .0053 |
|
Mn .5 .5 .5 .020 .026 .026 .026 .026 .0053 .0053 .0053 |
|
Pb .5 .5 .5 .005 .026 .026 .026 .026 .0053 .0053 .0053 |
|
La .5 .5 .5 .005 .026 .026 .026 .026 .0053 .0053 .0053 |
|
Ce .5 .5 .5 .020 .026 .026 .026 .026 .0053 .0053 .0053 |
|
Nd .5 .5 .5 .005 .026 .026 .026 .026 .0053 .0053 .0053 |
|
U .5 .5 .5 .010 .026 .026 .026 .026 .0053 .0053 .0053 |
|
Nb 0 0 0 .740 .0225 .0225 .0225 .0225 -.0017 -.0017 -.0017 |
|
Ta 0 0 0 .020 .0225 .0225 .0225 .0225 -.0017 -.0017 -.0017 |
|
Ti 0 0 0 .080 .0225 .0225 .0225 .0225 -.0017 -.0017 -.0017 |
|
Si 0 0 0 .120 .0225 .0225 .0225 .0225 -.0017 -.0017 -.0017 |
|
Fe 0 0 0 .040 .0225 .0225 .0225 .0225 -.0017 -.0017 -.0017 |
|
O .3173 .125 .125 .772 .028 .029 .028 .028 0 0 .011 |
|
OH .3173 .125 .125 .228 .028 .029 .028 .028 0 0 .011 |
|
F .375 .375 .375 .460 .031 .031 .026 .026 0 0 0 |
|
OH .375 .375 .375 .540 .031 .031 .031 .031 0 0 0 |
|
|
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View JMOL 3-D Structure
|
| |
|
Beta-As4S4 |
| |
Bonazzi P, Bindi L, Pratesi G, Menchetti S |
| |
American Mineralogist 91 (2006) 1323-1330 |
|
Light-induced changes in molecular arsenic sulfides: State of the art and |
|
new evidence by single-crystal X-ray diffraction |
|
Sample: B2-0, beta-As4S4 |
|
_database_code_amcsd 0004217 |
|
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) |
|
As1 -.00187 -.20545 .05489 .0292 .0348 .0339 .0188 .0054 .0060 .0067 |
|
As2 -.16022 -.40157 .12611 .0286 .0236 .0317 .0264 .0005 -.0036 -.0065 |
|
S1 0 -.0540 .25 .0340 .0443 .0226 .0346 0 .0076 0 |
|
S2 0 -.5536 .25 .0363 .0361 .0219 .0450 0 -.0043 0 |
|
S3 -.2012 -.3040 .3403 .0350 .0262 .0493 .0318 -.0044 .0117 -.0064 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As8S8.34 |
| |
Bonazzi P, Bindi L, Pratesi G, Menchetti S |
| |
American Mineralogist 91 (2006) 1323-1330 |
|
Light-induced changes in molecular arsenic sulfides: State of the art and |
|
new evidence by single-crystal X-ray diffraction |
|
Sample: B2-600, light exposure for t = 600 minutes |
|
Note: beta-As4S4 - alacranite series |
|
_database_code_amcsd 0004218 |
|
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) |
|
As1 .002 -.2084 .0570 .83 .0459 .0498 .055 .0320 .0086 .0063 .0094 |
|
As1b .043 -.166 .095 .17 .112 .09 .043 .20 .027 .05 .059 |
|
As2 -.1606 -.4022 .1282 .83 .0488 .0362 .0499 .0550 .0038 -.0034 -.0137 |
|
As2b -.120 -.459 .169 .17 .085 .068 .11 .082 -.033 .035 -.063 |
|
S1 0 -.0590 .25 .062 .070 .042 .073 0 .011 0 |
|
S2 0 -.5525 .25 .83 .065 .054 .034 .098 0 -.005 0 |
|
S3 -.2034 -.3065 .3385 .0622 .042 .083 .066 -.008 .023 -.011 |
|
S4 -.095 -.320 -.006 .17 .076 .09 .09 .044 .05 .024 .017 |
|
|
| Download AMC data (View Text File)
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|
| |
|
As8S8.44 |
| |
Bonazzi P, Bindi L, Pratesi G, Menchetti S |
| |
American Mineralogist 91 (2006) 1323-1330 |
|
Light-induced changes in molecular arsenic sulfides: State of the art and |
|
new evidence by single-crystal X-ray diffraction |
|
Sample: B2-840, light exposure for t = 840 minutes |
|
Note: beta-As4S4 - alacranite series |
|
_database_code_amcsd 0004219 |
|
9.831 9.444 8.986 90 101.36 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) |
|
As1 .0006 -.2097 .0576 .78 .0607 .061 .076 .044 .012 .0089 .013 |
|
As1b .046 -.166 .093 .22 .121 .093 .053 .21 .019 .027 .043 |
|
As2 -.1606 -.4052 .1318 .78 .0635 .043 .065 .077 .0068 -.0016 -.020 |
|
As2b -.114 -.466 .176 .22 .074 .054 .101 .072 -.009 .023 -.045 |
|
S1 0 -.0621 .25 .077 .083 .053 .094 0 .017 0 |
|
S2 0 -.5519 .25 .78 .084 .061 .047 .137 0 -.001 0 |
|
S3 -.2045 -.3094 .3377 .079 .050 .110 .084 -.004 .027 -.013 |
|
S4 -.102 -.325 -.004 .22 .075 .09 .09 .041 .05 .004 .002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As8S8.262 |
| |
Bonazzi P, Bindi L, Pratesi G, Menchetti S |
| |
American Mineralogist 91 (2006) 1323-1330 |
|
Light-induced changes in molecular arsenic sulfides: State of the art and |
|
new evidence by single-crystal X-ray diffraction |
|
Sample: ALA16-0 |
|
Note: beta-As4S4 - alacranite series |
|
_database_code_amcsd 0004220 |
|
9.963 9.323 8.962 90 102.41 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) |
|
As1 -.0041 -.2081 .0561 .869 .0439 .0430 .0534 .0353 .0086 .0082 .0075 |
|
As1b .055 -.170 .074 .131 .081 .068 .071 .101 .023 .014 .013 |
|
As2 -.1608 -.4033 .1285 .869 .0425 .0302 .0472 .0457 .0021 -.0019 -.0080 |
|
As2b -.127 -.468 .176 .131 .064 .076 .053 .067 -.013 .022 -.006 |
|
S1 0 -.0561 .25 .0522 .054 .044 .058 0 .008 0 |
|
S2 0 -.5549 .25 .869 .053 .044 .033 .074 0 -.005 0 |
|
S3 -.2012 -.3080 .3407 .0562 .037 .078 .059 -.005 .021 -.007 |
|
S4 -.101 -.323 -.007 .131 .062 .06 .06 .07 .001 .024 .01 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As8S8.62 |
| |
Bonazzi P, Bindi L, Pratesi G, Menchetti S |
| |
American Mineralogist 91 (2006) 1323-1330 |
|
Light-induced changes in molecular arsenic sulfides: State of the art and |
|
new evidence by single-crystal X-ray diffraction |
|
Sample: ALA16-1800, light exposure for t = 1800 minutes |
|
Note: beta-As4S4 - alacranite series |
|
_database_code_amcsd 0004221 |
|
9.862 9.438 9.078 90 101.25 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) |
|
As1 -.0031 -.2134 .0591 .69 .069 .071 .083 .052 .012 .008 .013 |
|
As1b .056 -.169 .075 .31 .104 .092 .059 .16 .002 .036 .012 |
|
As2 -.1618 -.4080 .1359 .69 .077 .059 .075 .090 .008 -.004 -.021 |
|
As2b -.119 -.465 .177 .31 .078 .076 .095 .068 -.014 .022 -.029 |
|
S1 0 -.0621 .25 .089 .106 .062 .097 0 .016 0 |
|
S2 0 -.558 .25 .69 .107 .080 .047 .18 0 -.017 0 |
|
S3 -.2032 -.3152 .3379 .094 .065 .130 .093 -.009 .032 -.004 |
|
S4 -.101 -.321 -.007 .31 .084 .11 .10 .040 .03 -.003 -.006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As8S8.76 |
| |
Bonazzi P, Bindi L, Pratesi G, Menchetti S |
| |
American Mineralogist 91 (2006) 1323-1330 |
|
Light-induced changes in molecular arsenic sulfides: State of the art and |
|
new evidence by single-crystal X-ray diffraction |
|
Sample: ALA15-600, light exposure for t = 600 minutes |
|
Note: beta-As4S4 - alacranite series |
|
_database_code_amcsd 0004222 |
|
9.885 9.446 9.118 90 101.32 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) |
|
As1 -.0065 -.217 .0577 .62 .071 .077 .082 .051 .004 .006 .009 |
|
As1b .049 -.172 .074 .38 .090 .10 .055 .110 .019 .015 .010 |
|
As2 -.1633 -.4085 .136 .62 .076 .054 .069 .096 .008 -.006 -.021 |
|
As2b -.121 -.463 .176 .38 .080 .080 .094 .072 -.018 .032 -.035 |
|
S1 0 -.0629 .25 .089 .101 .060 .109 0 .027 0 |
|
S2 0 -.560 .25 .62 .107 .056 .052 .19 0 -.03 0 |
|
S3 -.2032 -.3167 .3381 .089 .065 .116 .093 -.015 .032 -.005 |
|
S4 -.104 -.324 -.008 .38 .087 .12 .07 .06 .03 -.01 -.004 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
As4S5 |
| |
Bindi L, Bonazzi P |
| |
American Mineralogist 92 (2007) 617-620 |
|
Light-induced alteration of arsenic sulfides: A new product having an |
|
orthorhombic crystal structure |
|
_database_code_amcsd 0004312 |
|
19.352 10.166 8.697 90 90 90 Pccn |
|
atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .0684 .8619 .103 .114 .099 .092 .151 -.018 .026 -.027 |
|
As2 .0360 .0283 .303 .111 .107 .116 .112 -.023 .038 -.021 |
|
As3 .1995 .9092 .3448 .103 .104 .083 .123 .030 .018 .026 |
|
As4 .1584 .1606 .0434 .074 .061 .074 .086 -.007 -.002 .013 |
|
S1 .0716 .214 .202 .092 .065 .09 .12 .019 .01 -.01 |
|
S2 .1066 .510 .430 .103 .071 .11 .13 -.01 -.02 .03 |
|
S3 .2370 .071 .197 .073 .035 .09 .09 -.009 .002 .01 |
|
S4 .111 .984 .468 .132 .14 .10 .16 -.02 .06 -.02 |
|
S5 .154 .775 .188 .14 .93 .17 .11 .15 .01 -.03 -.02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ingersonite |
|
Bonazzi P, Bindi L |
| |
American Mineralogist 92 (2007) 947-953 |
|
The crystal structure of ingersonite, Ca3Mn2+Sb5+4O14, and its relationships with |
|
pyrochlore |
|
Locality: Langban mine, Varmland, Sweden |
|
_database_code_amcsd 0004361 |
|
7.282 7.282 17.604 90 90 120 P3_121 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1 0 .8444 2/3 .0080 .0064 .0091 .0076 .0032 -.0013 -.0006 |
|
MnA2 .8355 0 5/6 .0173 .0236 .0260 .0029 .0130 .0024 .0048 |
|
CaA3 .4989 .3518 .66075 .0090 .0105 .0079 .0093 .0051 -.0009 .0022 |
|
SbB1 .31881 0 1/3 .00320 .0044 .0037 .0012 .00186 -.00007 -.00015 |
|
SbB2 .32968 0 5/6 .983 .00347 .0042 .0037 .0023 .00185 -.00012 -.0002 |
|
MgB2 .32968 0 5/6 .017 .00347 .0042 .0037 .0023 .00185 -.00012 -.0002 |
|
SbB3 .33428 .5019 .83499 .00299 .00389 .00344 .00215 .00221 -.00014 -.00003 |
|
O1 .1989 .2199 .1471 .0096 .0060 .0120 .0112 .0052 -.0002 -.0013 |
|
O2 .5543 .6091 .2034 .0107 .0176 .0081 .0086 .0080 -.0050 -.0017 |
|
O3 .1975 .6399 .1489 .0092 .0050 .0079 .0106 .0001 -.0010 .0003 |
|
O4 -.0399 .3091 .0573 .0082 .0096 .0093 .0058 .0049 -.0006 -.0007 |
|
O5 -.0541 .8050 .0566 .0071 .0051 .0099 .0053 .0029 -.0021 -.0010 |
|
O6 .5437 .4046 .0560 .0073 .0085 .0081 .0032 .0026 .0015 .0015 |
|
O7 .5347 .7988 .0599 .0073 .0137 .0084 .0037 .0084 .0022 .0000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K1 sample |
|
_database_code_amcsd 0004804 |
|
8.971 5.766 10.224 90 114.53 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .75985 .75 .15222 .61930 .02178 .03375 .01573 .02174 0 .01737 0 |
|
CaA1 .75985 .75 .15222 .38070 .02178 .03375 .01573 .02174 0 .01737 0 |
|
CaA2 .59423 .75 .42645 .22580 .02141 .01791 .02704 .01675 0 .00468 0 |
|
CeA2 .59423 .75 .42645 .77420 .02141 .01791 .02704 .01675 0 .00468 0 |
|
FeM2 0 0 .5 .15852 .01538 .01492 .01219 .01748 .00065 .00519 -.00090 |
|
AlM2 0 0 .5 .84148 .01538 .01492 .01219 .01748 .00065 .00519 -.00090 |
|
AlM1 0 0 0 .23598 .01651 .01548 .01439 .01877 -.00084 .00624 -.00006 |
|
MnM1 0 0 0 .76402 .01651 .01548 .01439 .01877 -.00084 .00624 -.00006 |
|
MnM3 .31013 .25 .21314 .99986 .02142 .01974 .01817 .01810 0 -.00038 0 |
|
AlM3 .31013 .25 .21314 .00014 .02142 .01974 .01817 .01810 0 -.00038 0 |
|
Si1 .34385 .75 .03730 .01433 .01449 .01261 .01406 0 .00409 0 |
|
Si2 .69137 .25 .27868 .01585 .01681 .01415 .01621 0 .00649 0 |
|
Si3 .19087 .75 .32538 .01333 .01347 .01377 .01373 0 .00664 0 |
|
O1 .23974 .98871 .02674 .02247 .02123 .01641 .03057 .00177 .01155 .00211 |
|
O2 .31498 .97286 .36406 .01994 .02173 .01838 .02108 -.00371 .01025 -.00051 |
|
O3 .80163 .01596 .33303 .02261 .02025 .01498 .02364 .00068 .00017 -.00247 |
|
O4 .05807 .25 .13451 .02065 .01810 .01966 .02123 0 .00522 0 |
|
O5 .04948 .75 .15619 .01874 .01857 .02014 .01642 0 .00619 0 |
|
O6 .07589 .75 .41641 .01690 .01789 .01587 .01905 0 .00979 0 |
|
O7 .51235 .75 .17830 .02358 .02418 .02267 .01800 0 .00286 0 |
|
O8 .55043 .25 .33622 .03773 .02722 .06057 .03215 0 .01905 0 |
|
O9 .60860 .25 .10132 .02686 .02717 .03407 .01970 0 .01008 0 |
|
O10 .09171 .25 .43407 .01820 .01721 .01752 .02085 0 .00889 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K2 sample |
|
_database_code_amcsd 0004805 |
|
8.943 5.768 10.195 90 114.42 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .75964 .75 .15194 .61828 .02279 .03535 .01653 .02311 0 .01873 0 |
|
CaA1 .75964 .75 .15194 .38172 .02279 .03535 .01653 .02311 0 .01873 0 |
|
CeA2 .59410 .75 .42632 .73530 .02174 .01926 .02626 .01878 0 .00693 0 |
|
CaA2 .59410 .75 .42632 .26470 .02174 .01926 .02626 .01878 0 .00693 0 |
|
FeM2 0 0 .5 .15348 .01694 .01740 .01435 .01895 -.00084 .00738 -.00003 |
|
AlM2 0 0 .5 .84652 .01694 .01740 .01435 .01895 -.00084 .00738 -.00003 |
|
AlM1 0 0 0 .28730 .01747 .01719 .01483 .02109 -.00104 .00862 -.00113 |
|
MnM1 0 0 0 .71270 .01747 .01719 .01483 .02109 -.00104 .00862 -.00113 |
|
MnM3 .30962 .25 .21349 .99544 .02213 .02152 .01798 .02097 0 .00285 0 |
|
AlM3 .30962 .25 .21349 .00456 .02213 .02152 .01798 .02097 0 .00285 0 |
|
Si1 .34438 .75 .03787 .01588 .01620 .01434 .01653 0 .00619 0 |
|
Si2 .69149 .25 .27847 .01715 .01893 .01420 .02004 0 .00978 0 |
|
Si3 .19044 .75 .32513 .01454 .01570 .01428 .01617 0 .00915 0 |
|
O1 .24009 .98935 .02760 .02371 .02372 .01472 .03463 .00122 .01402 .00279 |
|
O2 .31387 .97345 .36316 .02285 .02463 .02241 .02361 -.00294 .01208 -.00374 |
|
O3 .80123 .01557 .33193 .02298 .02137 .01703 .02395 -.00076 .00275 .00125 |
|
O4 .05825 .25 .13506 .02337 .02324 .01968 .02693 0 .01011 0 |
|
O5 .04918 .75 .15562 .02065 .02231 .01960 .02073 0 .00958 0 |
|
O6 .07584 .75 .41702 .01953 .02127 .01643 .02585 0 .01471 0 |
|
O7 .51255 .75 .17764 .02563 .02623 .02526 .02168 0 .00618 0 |
|
O8 .54890 .25 .33404 .03959 .03725 .05858 .03453 0 .02647 0 |
|
O9 .60920 .25 .10193 .02846 .03176 .03639 .01869 0 .01189 0 |
|
O10 .09094 .25 .43312 .02007 .02124 .01686 .02476 0 .01218 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K4 sample |
|
_database_code_amcsd 0004806 |
|
8.958 5.764 10.205 90 114.50 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .75942 .75 .15215 .64898 .02151 .03263 .01567 .02246 0 .01764 0 |
|
CaA1 .75942 .75 .15215 .35102 .02151 .03263 .01567 .02246 0 .01764 0 |
|
CaA2 .59417 .75 .42654 .25308 .02112 .01789 .02661 .01683 0 .00518 0 |
|
CeA2 .59417 .75 .42654 .74692 .02112 .01789 .02661 .01683 0 .00518 0 |
|
FeM2 0 0 .5 .14258 .01527 .01557 .01235 .01750 .00063 .00647 -.00029 |
|
AlM2 0 0 .5 .85742 .01527 .01557 .01235 .01750 .00063 .00647 -.00029 |
|
AlM1 0 0 0 .25804 .01644 .01610 .01419 .01865 -.00082 .00683 -.00064 |
|
MnM1 0 0 0 .74196 .01644 .01610 .01419 .01865 -.00082 .00683 -.00064 |
|
MnM3 .30992 .25 .21352 .99958 .02137 .01980 .01796 .01912 0 .00087 0 |
|
AlM3 .30992 .25 .21352 .00042 .02137 .01980 .01796 .01912 0 .00087 0 |
|
Si1 .34409 .75 .03730 .01507 .01498 .01327 .01596 0 .00541 0 |
|
Si2 .69156 .25 .27856 .01566 .01646 .01419 .01682 0 .00739 0 |
|
Si3 .19083 .75 .32537 .01384 .01386 .01404 .01481 0 .00713 0 |
|
O1 .23978 .98962 .02730 .02324 .02328 .01578 .03195 .00365 .01273 .00219 |
|
O2 .31488 .97360 .36311 .02000 .02182 .02008 .01980 -.00439 .01032 -.00082 |
|
O3 .80196 .01497 .33236 .02250 .02127 .01406 .02471 .00155 .00209 -.00175 |
|
O4 .05865 .25 .13505 .02007 .01836 .01778 .02277 0 .00722 0 |
|
O5 .04912 .75 .15548 .01787 .01764 .01840 .01688 0 .00647 0 |
|
O6 .07660 .75 .41758 .01781 .01716 .01769 .02359 0 .01345 0 |
|
O7 .51251 .75 .17833 .02343 .01831 .02649 .01759 0 -.00045 0 |
|
O8 .54933 .25 .33542 .03581 .02661 .05602 .03255 0 .01999 0 |
|
O9 .60853 .25 .10177 .02744 .02932 .03348 .01993 0 .01062 0 |
|
O10 .09191 .25 .43368 .01871 .01902 .01676 .02242 0 .01066 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K5 sample |
|
_database_code_amcsd 0004807 |
|
8.953 5.763 10.186 90 114.42 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .7602 .75 .15245 .52 .0192 .0280 .0130 .0210 .0000 .0147 .0000 |
|
CaA1 .7602 .75 .15245 .48 .0192 .0280 .0130 .0210 .0000 .0147 .0000 |
|
CeA2 .59396 .75 .42667 .78 .01797 .0141 .0212 .0162 .0000 .00381 .0000 |
|
CaA2 .59396 .75 .42667 .22 .01797 .0141 .0212 .0162 .0000 .00381 .0000 |
|
FeM2 0 0 .5 .14 .0130 .0109 .0099 .0169 -.0003 .0045 -.0006 |
|
AlM2 0 0 .5 .86 .0130 .0109 .0099 .0169 -.0003 .0045 -.0006 |
|
MnM1 0 0 0 .78 .0142 .0119 .0116 .0174 -.0012 .0046 -.0007 |
|
AlM1 0 0 0 .22 .0142 .0119 .0116 .0174 -.0012 .0046 -.0007 |
|
MnM3 .30948 .25 .21307 .0179 .0149 .0144 .0173 .0000 -.0003 .0000 |
|
Si1 .3443 .75 .0374 .0128 .0124 .0101 .0138 .0000 .0032 .0000 |
|
Si2 .6914 .25 .2793 .0133 .0127 .0107 .0158 .0000 .0052 .0000 |
|
Si3 .1908 .75 .3254 .0117 .0106 .0108 .0137 .0000 .0051 .0000 |
|
O1 .2402 .9894 .0273 .0198 .0184 .0126 .028 .0021 .0095 .0018 |
|
O2 .3147 .9729 .3635 .0181 .0168 .018 .019 -.0034 .0063 -.0005 |
|
O3 .8017 .0150 .3332 .0200 .0182 .0112 .023 .0005 .0009 -.0018 |
|
O4 .0578 .25 .1353 .0175 .017 .013 .019 .0000 .004 .0000 |
|
O5 .0494 .75 .1565 .0170 .017 .016 .016 .0000 .004 .0000 |
|
O6 .0760 .75 .4169 .0156 .015 .014 .021 .0000 .011 .0000 |
|
O7 .5131 .75 .1781 .0201 .019 .020 .015 .0000 .001 .0000 |
|
O8 .5504 .25 .3376 .0316 .021 .050 .030 .0000 .017 .0000 |
|
O9 .6093 .25 .1027 .0241 .023 .030 .019 .0000 .009 .0000 |
|
O10 .0911 .25 .4331 .0158 .013 .015 .020 .0000 .008 .0000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K5-600 sample, annealing under inert temperature |
|
_database_code_amcsd 0004808 |
|
8.950 5.770 10.194 90 114.42 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .76013 .75 .15246 .51174 .01750 .02570 .01315 .01732 0 .01257 0 |
|
CaA1 .76013 .75 .15246 .48826 .01750 .02570 .01315 .01732 0 .01257 0 |
|
CaA2 .59383 .75 .42672 .21280 .01697 .01258 .02232 .01297 0 .00223 0 |
|
CeA2 .59383 .75 .42672 .78720 .01697 .01258 .02232 .01297 0 .00223 0 |
|
FeM2 0 0 .5 .12330 .01165 .00998 .00989 .01313 .00059 .00281 -.00031 |
|
AlM2 0 0 .5 .87670 .01165 .00998 .00989 .01313 .00059 .00281 -.00031 |
|
AlM1 0 0 0 .20374 .01289 .01025 .01172 .01508 -.00092 .00359 -.00048 |
|
MnM1 0 0 0 .79626 .01289 .01025 .01172 .01508 -.00092 .00359 -.00048 |
|
MnM3 .30961 .25 .21299 .99978 .01657 .01310 .01473 .01413 0 -.00216 0 |
|
AlM3 .30961 .25 .21299 .00022 .01657 .01310 .01473 .01413 0 -.00216 0 |
|
Si1 .34418 .75 .03733 .01141 .01082 .00967 .01154 0 .00241 0 |
|
Si2 .69125 .25 .27925 .01245 .01141 .01182 .01287 0 .00378 0 |
|
Si3 .19079 .75 .32560 .01007 .00802 .01123 .01054 0 .00341 0 |
|
O1 .24023 .98931 .02737 .01797 .01596 .01217 .02538 .00205 .00812 .00100 |
|
O2 .31501 .97290 .36400 .01683 .01595 .01651 .01674 -.00344 .00546 -.00134 |
|
O3 .80141 .01511 .33329 .01860 .01524 .01296 .01870 .00159 -.00190 -.00184 |
|
O4 .05723 .25 .13479 .01682 .01406 .01540 .01768 0 .00323 0 |
|
O5 .04999 .75 .15629 .01523 .01389 .01598 .01329 0 .00308 0 |
|
O6 .07552 .75 .41641 .01431 .01462 .01417 .01624 0 .00850 0 |
|
O7 .51285 .75 .17851 .01818 .01587 .02006 .01351 0 .00095 0 |
|
O8 .55057 .25 .33633 .03114 .01994 .05416 .02410 0 .01388 0 |
|
O9 .60957 .25 .10203 .02190 .02155 .02743 .01672 0 .00790 0 |
|
O10 .09089 .25 .43331 .01369 .01185 .01378 .01421 0 .00417 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K5-700 sample, annealing ex situ under inert atmosphere |
|
_database_code_amcsd 0004809 |
|
8.925 5.744 10.158 90 114.46 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .76071 .75 .15180 .52 .0116 .0177 .0094 .0107 .0000 .0088 .0000 |
|
CaA1 .76071 .75 .15180 .48 .0116 .0177 .0094 .0107 .0000 .0088 .0000 |
|
CeA2 .59496 .75 .42657 .78 .01164 .00907 .01519 .00884 .0000 .00190 .0000 |
|
CaA2 .59496 .75 .42657 .22 .01164 .00907 .01519 .00884 .0000 .00190 .0000 |
|
FeM2 0 0 .5 .14 .0083 .0069 .0070 .0094 .0001 .0019 -.0004 |
|
AlM2 0 0 .5 .86 .0083 .0069 .0070 .0094 .0001 .0019 -.0004 |
|
MnM1 0 0 0 .78 .0088 .0073 .0084 .0094 -.0006 .0023 -.0006 |
|
AlM1 0 0 0 .22 .0088 .0073 .0084 .0094 -.0006 .0023 -.0006 |
|
MnM3 .30626 .25 .21377 .00972 .0073 .0095 .0084 .0000 -.0007 .0000 |
|
Si1 .34464 .75 .03876 .0079 .0075 .0069 .0079 .0000 .0019 .0000 |
|
Si2 .68996 .25 .27864 .0078 .0065 .0082 .0085 .0000 .0028 .0000 |
|
Si3 .19090 .75 .32504 .0067 .0054 .0074 .0070 .0000 .0024 .0000 |
|
O1 .2409 .9898 .0292 .0129 .0113 .0089 .0186 .0022 .0064 .0009 |
|
O2 .3148 .9733 .3634 .0110 .0098 .0114 .0114 -.0026 .0039 -.0010 |
|
O3 .8004 .0149 .3334 .0128 .0103 .0076 .0150 .0003 -.0002 -.0013 |
|
O4 .0562 .25 .1339 .0108 .0099 .0103 .0107 .0000 .0027 .0000 |
|
O5 .0497 .75 .1561 .0102 .0090 .0105 .0091 .0000 .0018 .0000 |
|
O6 .0757 .75 .4166 .0106 .0109 .0104 .0134 .0000 .0078 .0000 |
|
O7 .5143 .75 .1786 .0134 .0110 .0160 .0087 .0000 -.0004 .0000 |
|
O8 .5486 .25 .3359 .0220 .0134 .038 .020 .0000 .0117 .0000 |
|
O9 .6098 .25 .1016 .0174 .0174 .027 .0093 .0000 .0064 .0000 |
|
O10 .0913 .25 .4329 .0103 .0088 .0102 .0126 .0000 .0051 .0000 |
|
H .018 .25 .293 .02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K3-550 sample |
|
_database_code_amcsd 0004810 |
|
8.922 5.717 10.272 90 115.24 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .76091 .75 .15059 .60784 .01799 .02476 .01529 .01917 0 .01440 0 |
|
CaA1 .76091 .75 .15059 .39216 .01799 .02476 .01529 .01917 0 .01440 0 |
|
CaA2 .60563 .75 .42478 .75888 .01958 .01803 .02297 .01534 0 .00482 0 |
|
CeA2 .60563 .75 .42478 .24112 .01958 .01803 .02297 .01534 0 .00482 0 |
|
FeM2 0 0 .5 .17158 .01404 .01202 .01359 .01549 .00146 .00490 -.00002 |
|
AlM2 0 0 .5 .82842 .01404 .01202 .01359 .01549 .00146 .00490 -.00002 |
|
AlM1 0 0 0 .23436 .01391 .01131 .01257 .01596 -.00071 .00399 -.00076 |
|
MnM1 0 0 0 .76564 .01391 .01131 .01257 .01596 -.00071 .00399 -.00076 |
|
MnM3 .30231 .25 .21924 .94994 .01550 .01223 .01446 .01580 0 .00213 0 |
|
AlM3 .30231 .25 .21924 .05006 .01550 .01223 .01446 .01580 0 .00213 0 |
|
Si1 .34448 .75 .04184 .01294 .01125 .01239 .01389 0 .00411 0 |
|
Si2 .68920 .25 .27311 .01430 .01284 .01393 .01657 0 .00670 0 |
|
Si3 .19022 .75 .32387 .01189 .01024 .01331 .01274 0 .00551 0 |
|
O1 .24108 .99191 .03464 .02165 .01794 .01689 .03147 .00262 .01185 .00421 |
|
O2 .31473 .97641 .36076 .01791 .01595 .01884 .01962 -.00435 .00823 -.00280 |
|
O3 .79912 .01442 .33091 .02096 .01767 .01450 .02302 .00121 .00130 -.00254 |
|
O4 .05879 .25 .13129 .01627 .01522 .01629 .01799 0 .00775 0 |
|
O5 .04674 .75 .15496 .01726 .01407 .01888 .01578 0 .00344 0 |
|
O6 .07946 .75 .41656 .01747 .01869 .01572 .02339 0 .01415 0 |
|
O7 .51719 .75 .17907 .02104 .01776 .02082 .01734 0 .00057 0 |
|
O8 .54088 .25 .32279 .03243 .02443 .04595 .03557 0 .02111 0 |
|
O9 .61215 .25 .09779 .02949 .03210 .04125 .01743 0 .01278 0 |
|
O10 .09220 .25 .43941 .01665 .01511 .01548 .02277 0 .01134 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K3-600 sample |
|
_database_code_amcsd 0004811 |
|
8.908 5.711 10.314 90 115.38 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .76168 .75 .15039 .54656 .01684 .02236 .01385 .01801 0 .01216 0 |
|
CaA1 .76168 .75 .15039 .45344 .01684 .02236 .01385 .01801 0 .01216 0 |
|
CaA2 .60820 .75 .42438 .76712 .01802 .01606 .02067 .01387 0 .00314 0 |
|
CeA2 .60820 .75 .42438 .23288 .01802 .01606 .02067 .01387 0 .00314 0 |
|
FeM2 0 0 .5 .18596 .01319 .01057 .01278 .01469 .00179 .00395 -.00105 |
|
AlM2 0 0 .5 .81404 .01319 .01057 .01278 .01469 .00179 .00395 -.00105 |
|
AlM1 0 0 0 .24310 .01213 .00987 .00967 .01381 -.00066 .00219 -.00037 |
|
MnM1 0 0 0 .75690 .01213 .00987 .00967 .01381 -.00066 .00219 -.00037 |
|
MnM3 .30147 .25 .22049 .93882 .01325 .01003 .01042 .01424 0 .00037 0 |
|
AlM3 .30147 .25 .22049 .06118 .01325 .01003 .01042 .01424 0 .00037 0 |
|
Si1 .34442 .75 .04252 .01155 .00955 .00885 .01373 0 .00257 0 |
|
Si2 .68914 .25 .27190 .01318 .01030 .01221 .01611 0 .00480 0 |
|
Si3 .19046 .75 .32413 .01075 .00823 .01016 .01281 0 .00351 0 |
|
O1 .24088 .99254 .03566 .02022 .01709 .01281 .02997 .00002 .00933 .00243 |
|
O2 .31508 .97693 .36053 .01702 .01368 .02035 .01832 -.00286 .00810 -.00023 |
|
O3 .79955 .01496 .33049 .02017 .01659 .01085 .02579 -.00056 .00217 -.00122 |
|
O4 .05838 .25 .13034 .01493 .01261 .01082 .01785 0 .00319 0 |
|
O5 .04673 .75 .15481 .01682 .01324 .01677 .01639 0 .00247 0 |
|
O6 .08076 .75 .41720 .01652 .01433 .01329 .02419 0 .01040 0 |
|
O7 .51862 .75 .17982 .01973 .01525 .01714 .01678 0 -.00268 0 |
|
O8 .53927 .25 .31983 .02807 .02053 .03859 .03382 0 .01996 0 |
|
O9 .61385 .25 .09667 .02805 .03261 .03486 .01896 0 .01323 0 |
|
O10 .09308 .25 .44164 .01654 .01386 .01494 .02306 0 .01005 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K3-700 sample |
|
_database_code_amcsd 0004812 |
|
8.891 5.696 10.350 90 115.35 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .76241 .75 .14949 .38286 .01501 .02083 .01204 .01720 0 .01295 0 |
|
CaA1 .76241 .75 .14949 .61714 .01501 .02083 .01204 .01720 0 .01295 0 |
|
CaA2 .61123 .75 .42393 .81246 .01602 .01414 .01892 .01393 0 .00500 0 |
|
CeA2 .61123 .75 .42393 .18754 .01602 .01414 .01892 .01393 0 .00500 0 |
|
FeM2 0 0 .5 .26452 .01116 .00963 .00988 .01363 .00093 .00467 -.00062 |
|
AlM2 0 0 .5 .73548 .01116 .00963 .00988 .01363 .00093 .00467 -.00062 |
|
AlM1 0 0 0 .29030 .01091 .00921 .00798 .01459 -.00045 .00419 -.00028 |
|
MnM1 0 0 0 .70970 .01091 .00921 .00798 .01459 -.00045 .00419 -.00028 |
|
MnM3 .29969 .25 .22165 .96690 .01121 .00806 .00987 .01346 0 .00248 0 |
|
AlM3 .29969 .25 .22165 .03310 .01121 .00806 .00987 .01346 0 .00248 0 |
|
Si1 .34436 .75 .04362 .00989 .00849 .00772 .01331 0 .00452 0 |
|
Si2 .68799 .25 .26941 .01120 .01092 .00977 .01458 0 .00707 0 |
|
Si3 .19050 .75 .32273 .00929 .00700 .00956 .01183 0 .00452 0 |
|
O1 .24130 .99217 .03694 .01709 .01379 .01135 .02736 .00272 .01001 .00252 |
|
O2 .31596 .97788 .35936 .01427 .01254 .01357 .01765 -.00219 .00737 -.00104 |
|
O3 .79755 .01402 .32870 .01662 .01293 .00973 .02212 .00036 .00267 -.00191 |
|
O4 .05937 .25 .12938 .01278 .01069 .01268 .01392 0 .00428 0 |
|
O5 .04624 .75 .15382 .01490 .01218 .01432 .01671 0 .00476 0 |
|
O6 .08270 .75 .41711 .01511 .01515 .01362 .02054 0 .01144 0 |
|
O7 .51840 .75 .17949 .01750 .01358 .01592 .01938 0 .00360 0 |
|
O8 .53741 .25 .31613 .02348 .01401 .03660 .02394 0 .01205 0 |
|
O9 .61431 .25 .09533 .02539 .02793 .03407 .01891 0 .01456 0 |
|
O10 .09308 .25 .44296 .01408 .01235 .01173 .02131 0 .01021 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Allanite-subgroup mineral |
| |
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G |
| |
American Mineralogist 94 (2009) 121-134 |
|
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral |
|
from Kesebol, Vastra Gotaland, Sweden |
|
Locality: Kesebol, Vastra Gotaland, Sweden |
|
Note: K3-800 sample |
|
_database_code_amcsd 0004813 |
|
8.894 5.699 10.368 90 115.69 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MnA1 .76259 .75 .14896 .27782 .01743 .02217 .01234 .02136 0 .01278 0 |
|
CaA1 .76259 .75 .14896 .72218 .01743 .02217 .01234 .02136 0 .01278 0 |
|
CaA2 .61278 .75 .42323 .16578 .01726 .01370 .01859 .01754 0 .00493 0 |
|
CeA2 .61278 .75 .42323 .83422 .01726 .01370 .01859 .01754 0 .00493 0 |
|
FeM2 0 0 .5 .39126 .01304 .00990 .00929 .01812 .00093 .00436 -.00038 |
|
AlM2 0 0 .5 .60874 .01304 .00990 .00929 .01812 .00093 .00436 -.00038 |
|
AlM1 0 0 0 .41324 .01287 .00964 .00823 .01805 -.00052 .00346 -.00046 |
|
MnM1 0 0 0 .58676 .01287 .00964 .00823 .01805 -.00052 .00346 -.00046 |
|
MnM3 .29836 .25 .22279 .95758 .01323 .00826 .01041 .01765 0 .00242 0 |
|
AlM3 .29836 .25 .22279 .04242 .01323 .00826 .01041 .01765 0 .00242 0 |
|
Si1 .34353 .75 .04344 .01261 .00960 .00815 .01871 0 .00484 0 |
|
Si2 .68634 .25 .26726 .01282 .01075 .00917 .01911 0 .00699 0 |
|
Si3 .19068 .75 .32126 .01133 .00844 .00958 .01555 0 .00478 0 |
|
O1 .23949 .99094 .03621 .01791 .01511 .01077 .02700 .00189 .00831 .00231 |
|
O2 .31679 .97772 .35845 .01591 .01340 .01467 .01871 -.00245 .00605 -.00175 |
|
O3 .79559 .01456 .32685 .01925 .01498 .00952 .02649 .00016 .00262 -.00202 |
|
O4 .06014 .25 .12823 .01428 .01118 .01275 .01518 0 .00218 0 |
|
O5 .04631 .75 .15269 .01720 .01184 .01539 .02187 0 .00492 0 |
|
O6 .08397 .75 .41715 .01806 .01657 .01690 .02333 0 .01108 0 |
|
O7 .51703 .75 .17904 .01898 .01260 .01670 .01924 0 -.00101 0 |
|
O8 .53568 .25 .31213 .02543 .01800 .03508 .02504 0 .01104 0 |
|
O9 .61327 .25 .09283 .02810 .03050 .03306 .02305 0 .01375 0 |
|
O10 .09490 .25 .44449 .01617 .01346 .01171 .02260 0 .00709 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
| |
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
|
Locality: Langban mine, Varmland, Sweden |
|
Note: P = 0.0001 GPa |
|
_database_code_amcsd 0004848 |
|
7.279 7.279 17.667 90 90 120 P3_121 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SbB1 .3205 0 1/3 .0090 .0113 .0082 .0063 .0041 .0002 .0003 |
|
SbB2 .3306 0 5/6 .96 .0101 .0106 .0106 .0091 .0053 -.0001 -.0001 |
|
MgB2 .3306 0 5/6 .04 .0101 .0106 .0106 .0091 .0053 -.0001 -.0001 |
|
SbB3 .3340 .5031 .8348 .96 .0071 .0083 .0074 .0064 .0045 .0007 .0003 |
|
MgB3 .3340 .5031 .8348 .04 .0071 .0083 .0074 .0064 .0045 .0007 .0003 |
|
CaA1 0 .843 2/3 .92 .014 .006 .019 .013 .0028 -.001 -.0004 |
|
MnA1 0 .843 2/3 .08 .014 .006 .019 .013 .0028 -.001 -.0004 |
|
MnA2 .839 0 5/6 .92 .0193 .024 .028 .008 .0142 .0037 .008 |
|
SbA2 .839 0 5/6 .08 .0193 .024 .028 .008 .0142 .0037 .008 |
|
CaA3 .498 .3492 .6615 .94 .0132 .010 .012 .013 .003 -.002 .001 |
|
MnA3 .498 .3492 .6615 .06 .0132 .010 .012 .013 .003 -.002 .001 |
|
O1 .203 .217 .1469 .024 .018 .040 .020 .019 .003 .004 |
|
O2 .549 .609 .2028 .029 .060 .040 .009 .040 .003 .002 |
|
O3 .194 .638 .1482 .018 .003 .021 .018 -.004 -.002 .001 |
|
O4 -.037 .310 .0561 .020 .023 .023 .018 .014 -.004 -.007 |
|
O5 -.056 .801 .0564 .015 .016 .020 .018 -.004 -.002 .002 |
|
O6 .539 .402 .0557 .017 .014 .021 .012 .005 -.005 .002 |
|
O7 .540 .803 .0595 .015 .023 .012 .015 .013 .003 .002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
| |
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
|
Locality: Langban mine, Varmland, Sweden |
|
Note: P = 2.25 GPa |
|
_database_code_amcsd 0004849 |
|
7.243 7.243 17.570 90 90 120 P3_121 |
|
atom x y z occ Uiso |
|
SbB1 .3193 0 1/3 .012 |
|
SbB2 .3298 0 5/6 .96 .010 |
|
MgB2 .3298 0 5/6 .04 .010 |
|
SbB3 .3351 .5002 .8354 .96 .0079 |
|
MgB3 .3351 .5002 .8354 .04 .0079 |
|
CaA1 0 .842 2/3 .92 .013 |
|
MnA1 0 .842 2/3 .08 .013 |
|
MnA2 .829 0 5/6 .92 .024 |
|
SbA2 .829 0 5/6 .08 .024 |
|
CaA3 .496 .3457 .6619 .94 .014 |
|
MnA3 .496 .3457 .6619 .06 .014 |
|
O1 .198 .210 .144 .031 |
|
O2 .561 .609 .199 .017 |
|
O3 .194 .636 .1609 .037 |
|
O4 -.028 .313 .056 .024 |
|
O5 -.056 .798 .069 .036 |
|
O6 .533 .399 .049 .008 |
|
O7 .542 .815 .070 .021 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
| |
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
|
Locality: Langban mine, Varmland, Sweden |
|
Note: P = 4.23 GPa |
|
_database_code_amcsd 0004850 |
|
7.218 7.218 17.510 90 90 120 P3_121 |
|
atom x y z occ Uiso |
|
SbB1 .3185 1 1/3 .016 |
|
SbB2 .3271 0 5/6 .96 .013 |
|
MgB2 .3271 0 5/6 .04 .013 |
|
SbB3 .3362 .5035 .8351 .96 .014 |
|
MgB3 .3362 .5035 .8351 .04 .014 |
|
CaA1 0 .839 2/3 .92 .014 |
|
MnA1 0 .839 2/3 .08 .014 |
|
MnA2 .834 0 5/6 .92 .030 |
|
SbA2 .834 0 5/6 .08 .030 |
|
CaA3 .487 .342 .662 .94 .023 |
|
MnA3 .487 .342 .662 .06 .023 |
|
O1 .199 .220 .151 .027 |
|
O2 .553 .604 .197 .019 |
|
O3 .191 .634 .164 .06 |
|
O4 -.030 .317 .053 .026 |
|
O5 -.048 .797 .065 .033 |
|
O6 .527 .401 .053 .008 |
|
O7 .553 .825 .065 .018 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
| |
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
|
Locality: Langban mine, Varmland, Sweden |
|
Note: P = 5.41 GPa |
|
_database_code_amcsd 0004851 |
|
7.204 7.204 17.450 90 90 120 P3_121 |
|
atom x y z occ Uiso |
|
SbB1 .3170 0 1/3 .018 |
|
SbB2 .3279 0 5/6 .96 .0142 |
|
MgB2 .3279 0 5/6 .04 .0142 |
|
SbB3 .3368 .5006 .8360 .96 .0132 |
|
MgB3 .3368 .5006 .8360 .04 .0132 |
|
CaA1 0 .832 2/3 .92 .007 |
|
MnA1 0 .832 2/3 .08 .007 |
|
MnA2 .829 0 5/6 .92 .019 |
|
SbA2 .829 0 5/6 .08 .019 |
|
CaA3 .487 .344 .6652 .94 .010 |
|
MnA3 .487 .344 .6652 .06 .010 |
|
O1 .201 .212 .151 .012 |
|
O2 .565 .605 .193 .034 |
|
O3 .188 .628 .161 .027 |
|
O4 -.024 .322 .048 .037 |
|
O5 -.044 .811 .062 .030 |
|
O6 .540 .399 .041 .005 |
|
O7 .537 .801 .068 .031 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
| |
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
|
Locality: Langban mine, Varmland, Sweden |
|
Note: P = 6.38 GPa |
|
_database_code_amcsd 0004852 |
|
7.182 7.182 17.465 90 90 120 P3_121 |
|
atom x y z occ Uiso |
|
SbB1 .3188 0 1/3 .004 |
|
SbB2 .3303 0 5/6 .96 .0085 |
|
MgB2 .3303 0 5/6 .04 .0085 |
|
SbB3 .3360 .5001 .8343 .96 .0033 |
|
MgB3 .3360 .5001 .8343 .04 .0033 |
|
CaA1 0 .840 2/3 .92 .018 |
|
MnA1 0 .840 2/3 .08 .018 |
|
MnA2 .826 0 5/6 .92 .025 |
|
SbA2 .826 0 5/6 .08 .025 |
|
CaA3 .491 .348 .6623 .94 .015 |
|
MnA3 .491 .348 .6623 .06 .015 |
|
O1 .197 .202 .153 .037 |
|
O2 .559 .609 .188 .026 |
|
O3 .191 .628 .154 .022 |
|
O4 -.035 .304 .047 .021 |
|
O5 -.052 .802 .068 .018 |
|
O6 .536 .400 .042 .017 |
|
O7 .552 .816 .068 .017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ingersonite |
|
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L |
| |
American Mineralogist 94 (2009) 352-358 |
|
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14: |
|
An in-situ single-crystal X-ray study |
|
Locality: Langban mine, Varmland, Sweden |
|
Note: P = 7.42 GPa |
|
_database_code_amcsd 0004853 |
|
7.170 7.170 17.406 90 90 120 P3_121 |
|
atom x y z occ Uiso |
|
SbB1 .3191 0 1/3 .015 |
|
SbB2 .3313 0 5/6 .96 .016 |
|
MgB2 .3313 0 5/6 .04 .016 |
|
SbB3 .3364 .4986 .8340 .96 .0114 |
|
MgB3 .3364 .4986 .8340 .04 .0114 |
|
CaA1 0 .844 2/3 .92 .018 |
|
MnA1 0 .844 2/3 .08 .018 |
|
MnA2 .827 0 5/6 .92 .026 |
|
SbA2 .827 0 5/6 .08 .026 |
|
CaA3 .500 .349 .659 .94 .025 |
|
MnA3 .500 .349 .659 .06 .025 |
|
O1 .199 .203 .145 .023 |
|
O2 .545 .605 .172 .05 |
|
O3 .197 .637 .151 .07 |
|
O4 -.046 .293 .045 .029 |
|
O5 -.044 .799 .054 .017 |
|
O6 .534 .406 .042 .011 |
|
O7 .559 .819 .074 .031 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stannite |
|
Bonazzi P, Bindi L, Bernardini G P, Menchetti S |
|
The Canadian Mineralogist 41 (2003) 639-647 |
|
A model for the mechanism of incorporation of Cu, Fe and Zn in the |
|
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 |
|
Sample: Fe100 |
|
_database_code_amcsd 0005838 |
|
5.4495 5.4495 10.726 90 90 90 I-42m |
|
atom x y z Uiso |
|
Cu(4d) 0 1/2 1/4 .01924 |
|
Fe(2a) 0 0 0 .01219 |
|
Sn(2b) 0 0 1/2 .01025 |
|
S(8i) .75581 .75581 .87012 .01134 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stannite |
|
Bonazzi P, Bindi L, Bernardini G P, Menchetti S |
|
The Canadian Mineralogist 41 (2003) 639-647 |
|
A model for the mechanism of incorporation of Cu, Fe and Zn in the |
|
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 |
|
Sample: Fe080 |
|
_database_code_amcsd 0005839 |
|
5.446 5.446 10.757 90 90 90 I-42m |
|
atom x y z occ Uiso |
|
Cu(4d) 0 1/2 1/4 .96 .01865 |
|
Zn(4d) 0 1/2 1/4 .03 .01865 |
|
Fe(4d) 0 1/2 1/4 .01 .01865 |
|
Fe(2a) 0 0 0 .78 .01227 |
|
Zn(2a) 0 0 0 .14 .01227 |
|
Cu(2a) 0 0 0 .08 .01227 |
|
Sn(2b) 0 0 1/2 .00987 |
|
S(8i) .75528 .75528 .87028 .01100 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stannite |
|
Bonazzi P, Bindi L, Bernardini G P, Menchetti S |
|
The Canadian Mineralogist 41 (2003) 639-647 |
|
A model for the mechanism of incorporation of Cu, Fe and Zn in the |
|
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 |
|
Sample: Fe050 |
|
_database_code_amcsd 0005840 |
|
5.4329 5.4329 10.8235 90 90 90 I-42m |
|
atom x y z occ Uiso |
|
Cu(4d) 0 1/2 1/4 .80 .01843 |
|
Zn(4d) 0 1/2 1/4 .15 .01843 |
|
Fe(4d) 0 1/2 1/4 .05 .01843 |
|
Fe(2a) 0 0 0 .40 .01481 |
|
Zn(2a) 0 0 0 .20 .01481 |
|
Cu(2a) 0 0 0 .40 .01481 |
|
Sn(2b) 0 0 1/2 .01079 |
|
S(8i) .75545 .75545 .87072 .01123 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kesterite |
|
Bonazzi P, Bindi L, Bernardini G P, Menchetti S |
|
The Canadian Mineralogist 41 (2003) 639-647 |
|
A model for the mechanism of incorporation of Cu, Fe and Zn in the |
|
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 |
|
Sample: Fe030 |
|
_database_code_amcsd 0005841 |
|
5.4250 5.4250 10.868 90 90 90 I-42m |
|
atom x y z occ Uiso |
|
Cu(4d) 0 1/2 1/4 .50 .01558 |
|
Zn(4d) 0 1/2 1/4 .35 .01558 |
|
Fe(4d) 0 1/2 1/4 .15 .01558 |
|
Cu(2a) 0 0 0 .01734 |
|
Sn(2b) 0 0 1/2 .00985 |
|
S(8i) .75621 .75621 .87185 .01030 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kesterite |
|
Bonazzi P, Bindi L, Bernardini G P, Menchetti S |
|
The Canadian Mineralogist 41 (2003) 639-647 |
|
A model for the mechanism of incorporation of Cu, Fe and Zn in the |
|
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 |
|
Sample: Fe020 |
|
_database_code_amcsd 0005842 |
|
5.428 5.428 10.864 90 90 90 I-42m |
|
atom x y z occ Uiso |
|
Cu(4d) 0 1/2 1/4 .50 .01781 |
|
Zn(4d) 0 1/2 1/4 .40 .01781 |
|
Fe(4d) 0 1/2 1/4 .10 .01781 |
|
Cu(2a) 0 0 0 .01969 |
|
Sn(2b) 0 0 1/2 .01328 |
|
S(8i) .75611 .75611 .87184 .01236 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kesterite |
|
Bonazzi P, Bindi L, Bernardini G P, Menchetti S |
|
The Canadian Mineralogist 41 (2003) 639-647 |
|
A model for the mechanism of incorporation of Cu, Fe and Zn in the |
|
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 |
|
Sample: Fe000 |
|
_database_code_amcsd 0005843 |
|
5.434 5.434 10.856 90 90 90 I-42m |
|
atom x y z occ Uiso |
|
Cu(4d) 0 1/2 1/4 .50 .01300 |
|
Zn(4d) 0 1/2 1/4 .50 .01300 |
|
Cu(2a) 0 0 0 .01516 |
|
Sn(2b) 0 0 1/2 .00711 |
|
S(8i) .75617 .75617 .87208 .00775 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Uzonite |
|
Bindi L, Popova V, Bonazzi P |
|
The Canadian Mineralogist 41 (2003) 1463-1468 |
|
Uzonite, As4S5, from the type locality: Single-crystal X-ray study |
|
and effects of exposure to light |
|
_database_code_amcsd 0005921 |
|
7.973 8.096 7.148 90 101.01 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .02032 1/4 .80254 .0247 .0216 .0258 .0284 0 .0092 0 |
|
As2 .04931 1/4 .45664 .0243 .0284 .0206 .0212 0 -.0020 0 |
|
As3 .39269 .48893 .74424 .0278 .0232 .0257 .0346 -.0044 .0060 -.0048 |
|
S1 .1848 .4664 .9131 .0293 .0294 .0315 .0285 -.0019 .0088 -.0093 |
|
S2 .2292 .4634 .4520 .0265 .0320 .0224 .0259 -.0009 .0076 .0043 |
|
S3 .5419 1/4 .7885 .0318 .0183 .0322 .0438 0 .0030 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Laphamite |
|
Bindi L, Bonazzi P, Spry P G |
| |
The Canadian Mineralogist 46 (2008) 269-274 |
|
Effects of sulfur-for-selenium substitution on the structure of laphamite, As2(Se,S)3 |
|
Locality: Western Middle Anthracite field, Northumberland County, Pennsylvania |
|
Sample: LAP1 |
|
_database_code_amcsd 0006181 |
|
11.891 9.742 4.274 90 90.03 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) |
|
As1 .2667 .1951 .8775 .0260 .0181 .0361 .0237 -.0016 -.0025 .0035 |
|
As2 .4895 .3239 .3735 .0245 .0169 .0345 .0221 -.0008 -.0001 -.0009 |
|
SeX1 .4032 .1192 .5209 .62 .0296 .0208 .038 .030 .0006 -.0003 .0001 |
|
SX1 .4032 .1192 .5209 .36 .0296 .0208 .038 .030 .0006 -.0003 .0001 |
|
AsX1 .4032 .1192 .5209 .02 .0296 .0208 .038 .030 .0006 -.0003 .0001 |
|
SeX2 .3472 .4092 .0210 .78 .0276 .0208 .036 .0261 .0018 -.0033 .0013 |
|
SX2 .3472 .4092 .0210 .19 .0276 .0208 .036 .0261 .0018 -.0033 .0013 |
|
AsX2 .3472 .4092 .0210 .03 .0276 .0208 .036 .0261 .0018 -.0033 .0013 |
|
SeX3 .1232 .3000 .5501 .88 .0256 .0156 .039 .0225 .0010 -.0032 .0007 |
|
SX3 .1232 .3000 .5501 .09 .0256 .0156 .039 .0225 .0010 -.0032 .0007 |
|
AsX3 .1232 .3000 .5501 .03 .0256 .0156 .039 .0225 .0010 -.0032 .0007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Laphamite |
|
Bindi L, Bonazzi P, Spry P G |
| |
The Canadian Mineralogist 46 (2008) 269-274 |
|
Effects of sulfur-for-selenium substitution on the structure of laphamite, As2(Se,S)3 |
|
Locality: Western Middle Anthracite field, Northumberland County, Pennsylvania |
|
Sample: LAP2 |
|
_database_code_amcsd 0006182 |
|
11.934 9.804 4.268 90 90.32 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) |
|
As1 .26596 .1955 .8799 .0183 .0150 .0218 .0180 -.0013 -.0010 .0015 |
|
As2 .48961 .3243 .3764 .0182 .0146 .0215 .0183 -.0007 -.0002 -.0013 |
|
SeX1 .40305 .1185 .5225 .60 .0201 .0159 .0224 .0220 .0011 .0021 -.0002 |
|
SX1 .40305 .1185 .5225 .39 .0201 .0159 .0224 .0220 .0011 .0021 -.0002 |
|
AsX1 .40305 .1185 .5225 .01 .0201 .0159 .0224 .0220 .0011 .0021 -.0002 |
|
SeX2 .34742 .4097 .0227 .78 .0201 .0188 .0189 .0225 .0017 -.0026 .0007 |
|
SX2 .34742 .4097 .0227 .21 .0201 .0188 .0189 .0225 .0017 -.0026 .0007 |
|
AsX2 .34742 .4097 .0227 .01 .0201 .0188 .0189 .0225 .0017 -.0026 .0007 |
|
SeX3 .12264 .2997 .5515 .87 .0192 .0136 .0253 .0187 .0001 .0010 .0011 |
|
SX3 .12264 .2997 .5515 .11 .0192 .0136 .0253 .0187 .0001 .0010 .0011 |
|
AsX3 .12264 .2997 .5515 .02 .0192 .0136 .0253 .0187 .0001 .0010 .0011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Strontiopiemontite |
|
Bonazzi P, Menchetti S, Palenzona A |
| |
European Journal of Mineralogy 2 (1990) 519-523 |
|
Strontiopiemontite, a new member of the epidote group, |
|
from Val Graveglia, Liguria, Italy |
|
Sample: SRPM |
|
Locality: Val Graveglia, Liguria, Italy |
|
_database_code_amcsd 0006386 |
|
8.849 5.671 10.203 90 114.63 90 P2_1/m |
|
atom x y z occ Uiso |
|
CaA1 .7604 .75 .1559 .78 .0118 |
|
MnA1 .7604 .75 .1559 .22 .0118 |
|
SrA2 .5949 .75 .4238 .73 .0116 |
|
CaA2 .5949 .75 .4238 .27 .0116 |
|
Si1 .3407 .75 .0403 .0075 |
|
Si2 .6852 .25 .2771 .0069 |
|
Si3 .1808 .75 .3154 .0059 |
|
AlM1 0 0 0 .78 .0085 |
|
MnM1 0 0 0 .19 .0085 |
|
FeM1 0 0 0 .03 .0085 |
|
AlM2 0 0 .5 .0069 |
|
AlM3 .2954 .25 .2189 .02 .0065 |
|
MnM3 .2954 .25 .2189 .69 .0065 |
|
FeM3 .2954 .25 .2189 .29 .0065 |
|
O1 .2335 .9905 .0344 .0112 |
|
O2 .3003 .9763 .3494 .0116 |
|
O3 .7957 .0151 .3401 .0107 |
|
O4 .0569 .25 .1307 .0102 |
|
O5 .0386 .75 .1452 .0078 |
|
O6 .0673 .75 .4077 .0097 |
|
O7 .5166 .75 .1712 .0136 |
|
O8 .5247 .25 .3130 .0134 |
|
O9 .6280 .25 .1024 .0229 |
|
OH10 .0829 .25 .4314 .0116 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Strontiopiemontite |
|
Bonazzi P, Menchetti S, Palenzona A |
| |
European Journal of Mineralogy 2 (1990) 519-523 |
|
Strontiopiemontite, a new member of the epidote group, |
|
from Val Graveglia, Liguria, Italy |
|
Sample: SRPC |
|
Locality: Val Graveglia, Liguria, Italy |
|
_database_code_amcsd 0006387 |
|
8.870 5.681 10.209 90 114.88 90 P2_1/m |
|
atom x y z occ Uiso |
|
CaA1 .7606 .75 .1559 .97 .0142 |
|
SrA1 .7606 .75 .1559 .03 .0142 |
|
CaA2 .5954 .75 .4233 .41 .0152 |
|
SrA2 .5954 .75 .4233 .59 .0152 |
|
Si1 .3403 .75 .0420 .0083 |
|
Si2 .6849 .25 .2783 .0097 |
|
Si3 .1811 .75 .3156 .0099 |
|
AlM1 0 0 0 .72 .0104 |
|
MnM1 0 0 0 .25 .0104 |
|
FeM1 0 0 0 .03 .0104 |
|
AlM2 0 0 .5 .0100 |
|
AlM3 .2940 .25 .2198 .02 .0097 |
|
MnM3 .2940 .25 .2198 .69 .0097 |
|
FeM3 .2940 .25 .2198 .29 .0097 |
|
O1 .2340 .9901 .0354 .0148 |
|
O2 .3013 .9782 .3511 .0097 |
|
O3 .7954 .0155 .3421 .0119 |
|
O4 .0580 .25 .1312 .0070 |
|
O5 .0407 .75 .1460 .0109 |
|
O6 .0650 .75 .4032 .0126 |
|
O7 .5145 .75 .1743 .0195 |
|
O8 .5234 .25 .3118 .0151 |
|
O9 .6292 .25 .1024 .0190 |
|
O10 .0823 .25 .4309 .0111 |
|
H .0350 .25 .3350 .0540 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Bonazzi P, Garbarino C, Menchetti S |
| |
European Journal of Mineralogy 4 (1992) 23-33 |
|
Crystal chemistry of piemontites: REE-bearing |
|
piemontite from Monte Brugiana, Alpi Apuane, Italy |
|
Sample: BR1A |
|
Locality: Monte Brugiana, Alpi Apuane, Italy |
|
_database_code_amcsd 0006434 |
|
8.884 5.685 10.152 90 115.00 90 P2_1/m |
|
atom x y z occ Uiso |
|
CaA1 .7580 .75 .1518 .74 .0101 |
|
MnA1 .7580 .75 .1518 .245 .0101 |
|
CaA2 .5954 .75 .4261 .74 .0117 |
|
SrA2 .5954 .75 .4261 .03 .0117 |
|
LaA2 .5954 .75 .4261 .16 .0117 |
|
CeA2 .5954 .75 .4261 .04 .0117 |
|
PrA2 .5954 .75 .4261 .02 .0117 |
|
NdA2 .5954 .75 .4261 .06 .0117 |
|
SmA2 .5954 .75 .4261 .003 .0117 |
|
ThA2 .5954 .75 .4261 .004 .0117 |
|
AlM1 0 0 0 .5833 .0064 |
|
MgM1 0 0 0 .0266 .0064 |
|
MnM1 0 0 0 .245 .0064 |
|
FeM1 0 0 0 .13 .0064 |
|
AlM2 0 0 .5000 .5833 .0051 |
|
MgM2 0 0 .5000 .0266 .0051 |
|
MnM2 0 0 .5000 .245 .0051 |
|
FeM2 0 0 .5000 .13 .0051 |
|
AlM3 .2991 .25 .2194 .5833 .0087 |
|
MgM3 .2991 .25 .2194 .0266 .0087 |
|
MnM3 .2991 .25 .2194 .245 .0087 |
|
FeM3 .2991 .25 .2194 .13 .0087 |
|
Si1 .3421 .75 .0437 .0060 |
|
Si2 .6873 .25 .2761 .0059 |
|
Si3 .1867 .75 .3214 .0048 |
|
O1 .2367 .9920 .0354 .0106 |
|
O2 .3084 .9777 .3583 .0092 |
|
O3 .7990 .0152 .3362 .0098 |
|
O4 .0557 .25 .1303 .0068 |
|
O5 .0445 .75 .1502 .0087 |
|
O6 .0715 .75 .4121 .0069 |
|
O7 .5145 .75 .1806 .0111 |
|
O8 .5353 .25 .3211 .0172 |
|
O9 .6171 .25 .0994 .0151 |
|
O10 .0871 .25 .4323 .0069 |
|
H .073 .25 .346 .02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Bonazzi P, Garbarino C, Menchetti S |
| |
European Journal of Mineralogy 4 (1992) 23-33 |
|
Crystal chemistry of piemontites: REE-bearing |
|
piemontite from Monte Brugiana, Alpi Apuane, Italy |
|
Sample: BR1C |
|
Locality: Monte Brugiana, Alpi Apuane, Italy |
|
_database_code_amcsd 0006435 |
|
8.881 5.683 10.150 90 114.99 90 P2_1/m |
|
atom x y z occ Uiso |
|
CaA1 .7575 .75 .1517 .74 .0085 |
|
MnA1 .7575 .75 .1517 .245 .0085 |
|
CaA2 .5953 .75 .4261 .74 .0117 |
|
SrA2 .5953 .75 .4261 .03 .0117 |
|
LaA2 .5953 .75 .4261 .16 .0117 |
|
CeA2 .5953 .75 .4261 .04 .0117 |
|
PrA2 .5953 .75 .4261 .02 .0117 |
|
NdA2 .5953 .75 .4261 .06 .0117 |
|
SmA2 .5953 .75 .4261 .003 .0117 |
|
ThA2 .5953 .75 .4261 .004 .0117 |
|
AlM1 0 0 0 .5833 .0080 |
|
MgM1 0 0 0 .0266 .0080 |
|
MnM1 0 0 0 .245 .0080 |
|
FeM1 0 0 0 .13 .0080 |
|
AlM2 0 0 .5 .5833 .0071 |
|
MgM2 0 0 .5 .0266 .0071 |
|
MnM2 0 0 .5 .245 .0071 |
|
FeM2 0 0 .5 .13 .0071 |
|
AlM3 .2991 .25 .2192 .5833 .0065 |
|
MgM3 .2991 .25 .2192 .0266 .0065 |
|
MnM3 .2991 .25 .2192 .245 .0065 |
|
FeM3 .2991 .25 .2192 .13 .0065 |
|
Si1 .3415 .75 .0432 .0071 |
|
Si2 .6875 .25 .2758 .0069 |
|
Si3 .1874 .75 .3217 .0043 |
|
O1 .2363 .9916 .0353 .0143 |
|
O2 .3090 .9778 .3569 .0081 |
|
O3 .7985 .0155 .3375 .0093 |
|
O4 .0555 .25 .1303 .0068 |
|
O5 .0447 .75 .1499 .0081 |
|
O6 .0714 .75 .4108 .0065 |
|
O7 .5141 .75 .1823 .0110 |
|
O8 .5335 .25 .3200 .0193 |
|
O9 .6186 .25 .1004 .0204 |
|
O10 .0871 .25 .4321 .0053 |
|
H .04 .25 .36 .02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Bonazzi P, Garbarino C, Menchetti S |
| |
European Journal of Mineralogy 4 (1992) 23-33 |
|
Crystal chemistry of piemontites: REE-bearing |
|
piemontite from Monte Brugiana, Alpi Apuane, Italy |
|
Sample: BR2P |
|
Locality: Monte Brugiana, Alpi Apuane, Italy |
|
_database_code_amcsd 0006436 |
|
8.857 5.671 10.156 90 115.29 90 P2_1/m |
|
atom x y z occ Uiso |
|
CaA1 .7552 .75 .1510 .865 .0069 |
|
MnA1 .7552 .75 .1510 .2025 .0069 |
|
CaA2 .5982 .75 .4258 .865 .0117 |
|
SrA2 .5982 .75 .4258 .04 .0117 |
|
LaA2 .5982 .75 .4258 .02 .0117 |
|
CeA2 .5982 .75 .4258 .02 .0117 |
|
PrA2 .5982 .75 .4258 .002 .0117 |
|
NdA2 .5982 .75 .4258 .01 .0117 |
|
AlM1 0 0 0 .6266 .0055 |
|
MgM1 0 0 0 .0033 .0055 |
|
MnM1 0 0 0 .2025 .0055 |
|
FeM1 0 0 0 .17 .0055 |
|
AlM2 0 0 .5 .6266 .0055 |
|
MgM2 0 0 .5 .0033 .0055 |
|
MnM2 0 0 .5 .2025 .0055 |
|
FeM2 0 0 .5 .17 .0055 |
|
AlM3 .2980 .25 .2222 .6266 .0071 |
|
MgM3 .2980 .25 .2222 .0033 .0071 |
|
MnM3 .2980 .25 .2222 .2025 .0071 |
|
FeM3 .2980 .25 .2222 .17 .0071 |
|
Si1 .3421 .75 .0459 .99 .0048 |
|
Si2 .6860 .25 .2734 .99 .0050 |
|
Si3 .1862 .75 .3203 .99 .0048 |
|
O1 .2350 .9921 .0365 .0085 |
|
O2 .3070 .9792 .3562 .0082 |
|
O3 .7992 .0155 .3341 .0096 |
|
O4 .0581 .25 .1311 .0038 |
|
O5 .0430 .75 .1478 .0077 |
|
O6 .0728 .75 .4127 .0062 |
|
O7 .5161 .75 .1824 .0094 |
|
O8 .5329 .25 .3159 .0137 |
|
O9 .6169 .25 .0953 .0141 |
|
O10 .0890 .25 .4349 .0053 |
|
H .081 .25 .330 .02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Piemontite |
|
Bonazzi P, Garbarino C, Menchetti S |
| |
European Journal of Mineralogy 4 (1992) 23-33 |
|
Crystal chemistry of piemontites: REE-bearing |
|
piemontite from Monte Brugiana, Alpi Apuane, Italy |
|
Sample: BR2H |
|
Locality: Monte Brugiana, Alpi Apuane, Italy |
|
_database_code_amcsd 0006437 |
|
8.845 5.668 10.152 90 115.35 90 P2_1/m |
|
atom x y z occ Uiso |
|
CaA1 .7550 .75 .1511 .865 .0103 |
|
MnA1 .7550 .75 .1511 .2025 .0103 |
|
CaA2 .5985 .75 .4254 .865 .0135 |
|
SrA2 .5985 .75 .4254 .04 .0135 |
|
LaA2 .5985 .75 .4254 .02 .0135 |
|
CeA2 .5985 .75 .4254 .02 .0135 |
|
PrA2 .5985 .75 .4254 .002 .0135 |
|
NdA2 .5985 .75 .4254 .01 .0135 |
|
AlM1 0 0 0 .6266 .0069 |
|
MgM1 0 0 0 .0033 .0069 |
|
MnM1 0 0 0 .2025 .0069 |
|
FeM1 0 0 0 .17 .0069 |
|
AlM2 0 0 .5 .6266 .0057 |
|
MgM2 0 0 .5 .0033 .0057 |
|
MnM2 0 0 .5 .2025 .0057 |
|
FeM2 0 0 .5 .17 .0057 |
|
AlM3 .2977 .25 .2226 .6266 .0071 |
|
MgM3 .2977 .25 .2226 .0033 .0071 |
|
MnM3 .2977 .25 .2226 .2025 .0071 |
|
FeM3 .2977 .25 .2226 .17 .0071 |
|
Si1 .3424 .75 .0462 .99 .0060 |
|
Si2 .6865 .25 .2733 .99 .0063 |
|
Si3 .1866 .75 .3200 .99 .0053 |
|
O1 .2347 .9925 .0368 .0100 |
|
O2 .3075 .9803 .3558 .0085 |
|
O3 .7997 .0160 .3341 .0105 |
|
O4 .0582 .25 .1309 .0068 |
|
O5 .0427 .75 .1475 .0082 |
|
O6 .0735 .75 .4125 .0078 |
|
O7 .5156 .75 .1831 .0113 |
|
O8 .5313 .25 .3154 .0120 |
|
O9 .6166 .25 .0961 .0153 |
|
O10 .0890 .25 .4347 .0074 |
|
H .069 .25 .357 .02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aeschynite-(Y) |
|
Bonazzi P, Menchetti S |
| |
European Journal of Mineralogy 11 (1999) 1043-1049 |
|
Crystal chemistry of aeschynite-(Y) from the Western Alps: |
|
residual electron density on difference-Fourier map |
|
Sample: TR1 |
|
Locality: western Alps |
|
_database_code_amcsd 0006807 |
|
10.862 7.483 5.150 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
YA .4503 .25 .0333 .639 .0150 |
|
CeA .4503 .25 .0333 .005 .0150 |
|
PrA .4503 .25 .0333 .001 .0150 |
|
NdA .4503 .25 .0333 .011 .0150 |
|
SmA .4503 .25 .0333 .01 .0150 |
|
GdA .4503 .25 .0333 .068 .0150 |
|
DyA .4503 .25 .0333 .065 .0150 |
|
ErA .4503 .25 .0333 .034 .0150 |
|
YbA .4503 .25 .0333 .025 .0150 |
|
ThA .4503 .25 .0333 .06 .0150 |
|
UA .4503 .25 .0333 .004 .0150 |
|
CaA .4503 .25 .0333 .01 .0150 |
|
TiB .3593 .5137 .5446 .975 .0204 |
|
NbB .3593 .5137 .5446 .025 .0204 |
|
WC .177 .25 .603 .03 .023 |
|
O1 .2868 .4354 .8778 .024 |
|
O2 .5262 .4568 .7373 .025 |
|
O3 .6190 .25 .3114 .024 |
|
O4 .3506 .25 .4361 .023 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aeschynite-(Y) |
|
Bonazzi P, Menchetti S |
| |
European Journal of Mineralogy 11 (1999) 1043-1049 |
|
Crystal chemistry of aeschynite-(Y) from the Western Alps: |
|
residual electron density on difference-Fourier map |
|
Sample: MI |
|
Locality: western Alps |
|
_database_code_amcsd 0006808 |
|
10.803 7.532 5.180 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
YA .4503 .25 .0305 .54 .0075 |
|
LaA .4503 .25 .0305 .001 .0075 |
|
CeA .4503 .25 .0305 .009 .0075 |
|
PrA .4503 .25 .0305 .003 .0075 |
|
NdA .4503 .25 .0305 .032 .0075 |
|
SmA .4503 .25 .0305 .034 .0075 |
|
GdA .4503 .25 .0305 .072 .0075 |
|
DyA .4503 .25 .0305 .071 .0075 |
|
ErA .4503 .25 .0305 .043 .0075 |
|
YbA .4503 .25 .0305 .03 .0075 |
|
ThA .4503 .25 .0305 .12 .0075 |
|
UA .4503 .25 .0305 .02 .0075 |
|
CaA .4503 .25 .0305 .01 .0075 |
|
TiB .3595 .5153 .5436 .975 .0122 |
|
NbB .3595 .5153 .5436 .015 .0122 |
|
WB .3595 .5153 .5436 .01 .0122 |
|
OC .178 .25 .598 .02 .011 |
|
O1 .2865 .4370 .8772 .014 |
|
O2 .5261 .4571 .7353 .016 |
|
O3 .6204 .25 .3133 .016 |
|
O4 .3484 .25 .4376 .016 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aeschynite-(Y) |
|
Bonazzi P, Menchetti S |
| |
European Journal of Mineralogy 11 (1999) 1043-1049 |
|
Crystal chemistry of aeschynite-(Y) from the Western Alps: |
|
residual electron density on difference-Fourier map |
|
Sample: TR2 |
|
Locality: western Alps |
|
_database_code_amcsd 0006809 |
|
10.904 7.490 5.189 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
YA .4513 .25 .0344 .55 .0188 |
|
CeA .4513 .25 .0344 .011 .0188 |
|
PrA .4513 .25 .0344 .002 .0188 |
|
NdA .4513 .25 .0344 .026 .0188 |
|
SmA .4513 .25 .0344 .016 .0188 |
|
GdA .4513 .25 .0344 .091 .0188 |
|
DyA .4513 .25 .0344 .079 .0188 |
|
ErA .4513 .25 .0344 .034 .0188 |
|
YbA .4513 .25 .0344 .022 .0188 |
|
ThA .4513 .25 .0344 .1 .0188 |
|
UA .4513 .25 .0344 .03 .0188 |
|
CaA .4513 .25 .0344 .02 .0188 |
|
TiB .3588 .5119 .5427 .905 .0227 |
|
NbB .3588 .5119 .5427 .045 .0227 |
|
TaB .3588 .5119 .5427 .005 .0227 |
|
WB .3588 .5119 .5427 .045 .0227 |
|
WC .171 .25 .609 .02 .020 |
|
O1 .2873 .4381 .8780 .025 |
|
O2 .5269 .4576 .7367 .026 |
|
O3 .6182 .25 .3165 .029 |
|
O4 .3524 .25 .4393 .026 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aeschynite-(Y) |
|
Bonazzi P, Menchetti S |
| |
European Journal of Mineralogy 11 (1999) 1043-1049 |
|
Crystal chemistry of aeschynite-(Y) from the Western Alps: |
|
residual electron density on difference-Fourier map |
|
Sample: CE |
|
- note: O1 z coordinate altered to match reported bond lengths |
|
Locality: western Alps |
|
_database_code_amcsd 0006810 |
|
10.881 7.484 5.156 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
YA .4506 .25 .0358 .61 .0111 |
|
CeA .4506 .25 .0358 .001 .0111 |
|
NdA .4506 .25 .0358 .005 .0111 |
|
SmA .4506 .25 .0358 .013 .0111 |
|
GdA .4506 .25 .0358 .056 .0111 |
|
DyA .4506 .25 .0358 .076 .0111 |
|
ErA .4506 .25 .0358 .041 .0111 |
|
YbA .4506 .25 .0358 .025 .0111 |
|
ThA .4506 .25 .0358 .04 .0111 |
|
UA .4506 .25 .0358 .08 .0111 |
|
FeA .4506 .25 .0358 .01 .0111 |
|
TiB .3589 .5116 .5440 .90 .0152 |
|
NbB .3589 .5116 .5440 .085 .0152 |
|
TaB .3589 .5116 .5440 .005 .0152 |
|
WB .3589 .5116 .5440 .01 .0152 |
|
WC .178 .25 .602 .04 .024 |
|
O1 .2872 .4342 .8807 .016 |
|
O2 .5261 .4560 .7388 .017 |
|
O3 .6177 .25 .3087 .018 |
|
O4 .3527 .25 .4332 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aeschynite-(Y) |
|
Bonazzi P, Menchetti S |
| |
European Journal of Mineralogy 11 (1999) 1043-1049 |
|
Crystal chemistry of aeschynite-(Y) from the Western Alps: |
|
residual electron density on difference-Fourier map |
|
Sample: VV |
|
Locality: western Alps |
|
_database_code_amcsd 0006811 |
|
11.031 7.448 5.188 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
YA .4529 .25 .0402 .65 .0121 |
|
LaA .4529 .25 .0402 .001 .0121 |
|
CeA .4529 .25 .0402 .005 .0121 |
|
PrA .4529 .25 .0402 .001 .0121 |
|
NdA .4529 .25 .0402 .015 .0121 |
|
SmA .4529 .25 .0402 .017 .0121 |
|
GdA .4529 .25 .0402 .042 .0121 |
|
DyA .4529 .25 .0402 .042 .0121 |
|
ErA .4529 .25 .0402 .023 .0121 |
|
YbA .4529 .25 .0402 .018 .0121 |
|
ThA .4529 .25 .0402 .07 .0121 |
|
UA .4529 .25 .0402 .04 .0121 |
|
CaA .4529 .25 .0402 .01 .0121 |
|
FeA .4529 .25 .0402 .03 .0121 |
|
TiB .3579 .5077 .5436 .705 .0122 |
|
NbB .3579 .5077 .5436 .18 .0122 |
|
TaB .3579 .5077 .5436 .11 .0122 |
|
WB .3579 .5077 .5436 .005 .0122 |
|
WC .171 .25 .595 .04 .019 |
|
O1 .2886 .4338 .8803 .021 |
|
O2 .5260 .4555 .7379 .019 |
|
O3 .6169 .25 .3175 .018 |
|
O4 .3548 .25 .4337 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P, Fitton J G |
| |
European Journal of Mineralogy 13 (2001) 121-125 |
|
Crystal chemistry of strontian soda melilite from nephelinite |
|
lava of Mt. Etinde, Cameroon |
|
Sample: ET1 |
|
Locality: nephelinite lava of Mt. Etinde, Cameroon |
|
_database_code_amcsd 0006851 |
|
7.754 7.754 5.101 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .33740 .1626 .50948 .42 .0236 |
|
SrX .33740 .1626 .50948 .225 .0236 |
|
NaX .33740 .1626 .50948 .355 .0236 |
|
MgT1 0 0 0 .19 .0195 |
|
FeT1 0 0 0 .29 .0195 |
|
MnT1 0 0 0 .03 .0195 |
|
ZnT1 0 0 0 .02 .0195 |
|
AlT1 0 0 0 .46 .0195 |
|
TiT1 0 0 0 .01 .0195 |
|
SiT2 .14016 .35984 .95098 .995 .0192 |
|
AlT2 .14016 .35984 .95098 .005 .0192 |
|
O1 .5 0 .16430 .0334 |
|
O2 .14238 .35762 .25781 .0350 |
|
O3 .08233 .18078 .81188 .0341 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P, Fitton J G |
| |
European Journal of Mineralogy 13 (2001) 121-125 |
|
Crystal chemistry of strontian soda melilite from nephelinite |
|
lave of Mt. Etinde, Cameroon |
|
Sample: ET2 |
|
Locality: nephelinite lava of Mt. Etinde, Cameroon |
|
_database_code_amcsd 0006852 |
|
7.764 7.764 5.095 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .33731 .16269 .50936 .415 .0231 |
|
SrX .33731 .16269 .50936 .225 .0231 |
|
NaX .33731 .16269 .50936 .36 .0231 |
|
MgT1 0 0 0 .2 .0198 |
|
FeT1 0 0 0 .29 .0198 |
|
MnT1 0 0 0 .03 .0198 |
|
ZnT1 0 0 0 .01 .0198 |
|
AlT1 0 0 0 .45 .0198 |
|
TiT1 0 0 0 .02 .0198 |
|
SiT2 .14010 .3599 .95101 .995 .0189 |
|
AlT2 .14010 .3599 .95101 .005 .0189 |
|
O1 .5 0 .16428 .0328 |
|
O2 .14225 .35775 .25769 .0328 |
|
O3 .0821 .18041 .81181 .0338 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 298 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008953 |
|
7.826 7.826 5.004 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3316 .1684 .5065 .935 .0354 |
|
NaX .3316 .1684 .5065 .05 .0354 |
|
SrX .3316 .1684 .5065 .01 .0354 |
|
KX .3316 .1684 .5065 .01 .0354 |
|
MgT1 0 0 0 .96 .0267 |
|
AlT1 0 0 0 .07 .0267 |
|
SiT2 .1399 .3601 .9359 .99 .0259 |
|
AlT2 .1399 .3601 .9359 .01 .0259 |
|
O1 .5 0 .1805 .0401 |
|
O2 .1408 .3592 .2558 .0367 |
|
O3 .0795 .1868 .7864 .0397 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 348 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008954 |
|
7.830 7.830 5.002 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3320 .1680 .5059 .935 .0340 |
|
NaX .3320 .1680 .5059 .05 .0340 |
|
SrX .3320 .1680 .5059 .01 .0340 |
|
KX .3320 .1680 .5059 .01 .0340 |
|
MgT1 0 0 0 .96 .0272 |
|
AlT1 0 0 0 .07 .0272 |
|
SiT2 .1400 .3600 .9349 .99 .0257 |
|
AlT2 .1400 .3600 .9349 .01 .0257 |
|
O1 .5 0 .1828 .0355 |
|
O2 .1407 .3593 .2536 .0372 |
|
O3 .0805 .1871 .7859 .0363 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 359 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008955 |
|
7.832 7.832 5.003 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3320 .1680 .5057 .935 .0515 |
|
NaX .3320 .1680 .5057 .05 .0515 |
|
SrX .3320 .1680 .5057 .01 .0515 |
|
KX .3320 .1680 .5057 .01 .0515 |
|
MgT1 0 0 0 .96 .0450 |
|
AlT1 0 0 0 .07 .0450 |
|
SiT2 .1401 .3599 .9345 .99 .0434 |
|
AlT2 .1401 .3599 .9345 .01 .0434 |
|
O1 .5 0 .1832 .0552 |
|
O2 .1407 .3593 .2537 .0550 |
|
O3 .0814 .1874 .7869 .0542 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 373 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008956 |
|
7.833 7.833 5.004 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3320 .1680 .5055 .935 .0351 |
|
NaX .3320 .1680 .5055 .05 .0351 |
|
SrX .3320 .1680 .5055 .01 .0351 |
|
KX .3320 .1680 .5055 .01 .0351 |
|
MgT1 0 0 0 .96 .0276 |
|
AlT1 0 0 0 .07 .0276 |
|
SiT2 .1401 .3599 .9349 .99 .0265 |
|
AlT2 .1401 .3599 .9349 .01 .0265 |
|
O1 .5 0 .1829 .0355 |
|
O2 .1409 .3591 .2546 .0379 |
|
O3 .0806 .1861 .7855 .0367 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 413 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008957 |
|
7.838 7.838 5.006 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3319 .1681 .5057 .935 .0372 |
|
NaX .3319 .1681 .5057 .05 .0372 |
|
SrX .3319 .1681 .5057 .01 .0372 |
|
KX .3319 .1681 .5057 .01 .0372 |
|
MgT1 0 0 0 .96 .0293 |
|
AlT1 0 0 0 .07 .0293 |
|
SiT2 .1401 .3599 .9347 .99 .0277 |
|
AlT2 .1401 .3599 .9347 .01 .0277 |
|
O1 .5 0 .1813 .0387 |
|
O2 .1411 .3589 .2542 .0412 |
|
O3 .0804 .1873 .7862 .0380 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 463 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008958 |
|
7.845 7.845 5.011 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3321 .1679 .5058 .935 .0380 |
|
NaX .3321 .1679 .5058 .05 .0380 |
|
SrX .3321 .1679 .5058 .01 .0380 |
|
KX .3321 .1679 .5058 .01 .0380 |
|
MgT1 0 0 0 .96 .0290 |
|
AlT1 0 0 0 .07 .0290 |
|
SiT2 .1397 .3603 .9350 .99 .0276 |
|
AlT2 .1397 .3603 .9350 .01 .0276 |
|
O1 .5 0 .1787 .0381 |
|
O2 .1405 .3595 .2550 .0422 |
|
O3 .0811 .1873 .7863 .0404 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 513 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008959 |
|
7.852 7.852 5.019 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3319 .1681 .5055 .935 .0429 |
|
NaX .3319 .1681 .5055 .05 .0429 |
|
SrX .3319 .1681 .5055 .01 .0429 |
|
KX .3319 .1681 .5055 .01 .0429 |
|
MgT1 0 0 0 .96 .0326 |
|
AlT1 0 0 0 .07 .0326 |
|
SiT2 .1399 .3601 .9352 .99 .0318 |
|
AlT2 .1399 .3601 .9352 .01 .0318 |
|
O1 .5 0 .1831 .0446 |
|
O2 .1408 .3592 .2542 .0484 |
|
O3 .0805 .1866 .7861 .0450 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 573 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008960 |
|
7.857 7.857 5.022 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3321 .1679 .5057 .935 .0314 |
|
NaX .3321 .1679 .5057 .05 .0314 |
|
SrX .3321 .1679 .5057 .01 .0314 |
|
KX .3321 .1679 .5057 .01 .0314 |
|
MgT1 0 0 0 .96 .0207 |
|
AlT1 0 0 0 .07 .0207 |
|
SiT2 .1395 .3605 .9347 .99 .0181 |
|
AlT2 .1395 .3605 .9347 .01 .0181 |
|
O1 .5 0 .1799 .0343 |
|
O2 .1406 .3594 .2531 .0376 |
|
O3 .0812 .1877 .7867 .0334 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 673 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008961 |
|
7.868 7.868 5.027 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3317 .1683 .5058 .935 .0481 |
|
NaX .3317 .1683 .5058 .05 .0481 |
|
SrX .3317 .1683 .5058 .01 .0481 |
|
KX .3317 .1683 .5058 .01 .0481 |
|
MgT1 0 0 0 .96 .0362 |
|
AlT1 0 0 0 .07 .0362 |
|
SiT2 .1397 .3603 .9351 .99 .0336 |
|
AlT2 .1397 .3603 .9351 .01 .0336 |
|
O1 .5 0 .1791 .0512 |
|
O2 .1412 .3588 .2527 .0551 |
|
O3 .0799 .1876 .7871 .0489 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Melilite |
| |
Bindi L, Bonazzi P |
| |
Physics and Chemistry of Minerals 32 (2005) 89-96 |
|
Incommensurate-normal phase transition in natural melilite: |
|
an in situ high-temperature X-ray single-crystal study |
|
Sample: San Venanzo, Italy; T = 773 K |
|
Note: xO1 and yO1 corrected by authors |
|
_database_code_amcsd 0008962 |
|
7.879 7.879 5.032 90 90 90 P-42_1m |
|
atom x y z occ Uiso |
|
CaX .3317 .1683 .5058 .935 .0482 |
|
NaX .3317 .1683 .5058 .05 .0482 |
|
SrX .3317 .1683 .5058 .01 .0482 |
|
KX .3317 .1683 .5058 .01 .0482 |
|
MgT1 0 0 0 .96 .0361 |
|
AlT1 0 0 0 .07 .0361 |
|
SiT2 .1397 .3603 .9351 .99 .0337 |
|
AlT2 .1397 .3603 .9351 .01 .0337 |
|
O1 .5 0 .1795 .0507 |
|
O2 .1412 .3588 .2527 .0558 |
|
O3 .0799 .1872 .7872 .0485 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olmiite |
| |
Bonazzi P, Bindi L, Medenbach O, Pagano R, Lampronti G I, Menchetti S |
| |
Mineralogical Magazine 71 (2007) 193-201 |
|
Olmiite, CaMn[SiO3(OH)](OH), the Mn-dominant analogue of poldervaartite, |
|
a new mineral species from Kalahari manganese fields (Republic of South Africa) |
|
Locality: N'Chwaning II mine, Republic of South Africa |
|
_database_code_amcsd 0014579 |
|
9.249 9.076 10.342 90 90 90 Pbca |
|
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 .15329 .49245 .39231 .0092 .0100 .0099 .0077 -.0003 .0005 .0002 |
|
MnM2 .50894 .33741 .43030 .84 .0103 .0118 .0104 .0086 -.0023 -.0006 -.0001 |
|
CaM2 .50894 .33741 .43030 .14 .0103 .0118 .0104 .0086 -.0023 -.0006 -.0001 |
|
FeM2 .50894 .33741 .43030 .01 .0103 .0118 .0104 .0086 -.0023 -.0006 -.0001 |
|
Si .32771 .21852 .65915 .0079 .0096 .0076 .0065 -.0001 -.0001 -.0002 |
|
O2 .9441 .3544 .4391 .0107 .0101 .0128 .0094 -.0014 -.0018 -.0017 |
|
O3 .1009 .7144 .2881 .0122 .0164 .0117 .0086 .0022 .0037 .0020 |
|
O4 .4005 .5509 .4012 .0140 .0141 .0152 .0127 -.0016 .0006 .0012 |
|
O5 .1956 .3953 .1874 .0117 .0122 .0129 .0099 .0023 .0009 -.0007 |
|
O1 .2509 .3568 .5767 .0151 .025 .0076 .0123 .0027 -.0067 -.0003 |
|
H1 .249 .441 .619 .04 |
|
H2 .430 .595 .339 .04 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Seeligerite |
|
Bindi L, Welch M D, Bonazzi P, Pratesi G, Menchetti S |
| |
Mineralogical Magazine 71 (2008) 771-783 |
|
The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from |
|
the San Rafael mine, Sierra Gorda, Chile |
|
Locality: San Rafael mine, Sierra Gorda, Chile |
|
_database_code_amcsd 0014582 |
|
7.971 7.976 27.341 90 90 90 Cmm2 |
|
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 0 .00120 .0391 .0391 .0390 .0392 0 0 0 |
|
Pb2 0 0 .32526 .0284 .0280 .0280 .0291 0 0 0 |
|
Pb3 0 .5 .32043 .0328 .0328 .0327 .0328 0 0 0 |
|
Pb4 0 0 .65541 .0304 .0295 .0297 .0321 0 0 0 |
|
Pb5 0 .5 .65998 .0335 .0329 .0328 .0350 0 0 0 |
|
Pb6 0 .5 .93079 .0366 .0361 .0360 .0378 0 0 0 |
|
Pb7 .25 .25 .15868 .0288 .0278 .0277 .0309 .0002 0 0 |
|
Pb8 .25 .25 .82289 .0307 .0307 .0306 .0308 .0001 0 0 |
|
Pb9 .25 .25 .56002 .0614 .0605 .0605 .0632 -.0002 0 0 |
|
I1 0 0 .90611 .0358 .034 .034 .039 0 0 0 |
|
I2 .25 .25 .42342 .0195 .0197 .0197 .0190 -.0001 0 0 |
|
I3 0 .5 .07382 .0116 .0121 .0120 .0108 0 0 0 |
|
O1 0 .7097 .1081 .034 .033 .031 .039 0 0 .002 |
|
O2 .2101 .5 .1079 .034 .032 .033 .039 0 .003 0 |
|
O3 .2313 0 .8840 .023 .026 .029 .014 0 -.004 0 |
|
O4 0 -.2311 .8840 .023 .029 .025 .014 0 0 .004 |
|
O5 .2489 0 .6097 .084 .07 .09 .09 0 .01 0 |
|
O6 0 .2490 .6085 .085 .08 .07 .10 0 0 -.01 |
|
O7 .2493 .5 .4212 .037 .036 .041 .033 0 -.002 0 |
|
O8 0 .2507 .4211 .037 .040 .036 .034 0 0 .003 |
|
Cl1 0 0 .1987 .0180 .022 .022 .009 0 0 0 |
|
Cl2 .25 .25 .7026 .037 .037 .038 .036 .001 0 0 |
|
Cl3 0 .5 .7964 .041 .047 .046 .030 0 0 0 |
|
Cl4 0 0 .7852 .036 .034 .034 .040 0 0 0 |
|
Cl5 .25 .25 .2981 .036 .035 .035 .039 -.001 0 0 |
|
Cl6 0 0 .5108 .066 .072 .071 .056 0 0 0 |
|
Cl7 .25 .25 -.0179 .0466 .051 .051 .037 -.003 0 0 |
|
Cl8 0 .5 .2088 .0139 .015 .015 .012 0 0 0 |
|
Cl9 0 .5 .4921 .029 .028 .029 .031 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Karlite |
|
Bonazzi P, Menchetti S, Sabelli C, Trosti-Ferroni R |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 253-262 |
|
Karlite: crystal structure and chemical composition |
|
Locality: Tauern Window, Schleigeistal, Zillertaler, Alpen, Austria |
|
_database_code_amcsd 0014800 |
|
17.6370 17.967 3.1040 90 90 90 P2_12_12 |
|
atom x y z occ Biso |
|
Mg1 .4259 .1984 .999 .6 .53 |
|
Al1 .4259 .1984 .999 .3 .53 |
|
Fe2+1 .4259 .1984 .999 .033 .53 |
|
Fe3+1 .4259 .1984 .999 .067 .53 |
|
Mg2 .2985 .1089 .498 .29 |
|
Mg3 .3596 .3601 .447 .71 |
|
Mg4 .1265 .1430 .956 .47 |
|
Mg5 .2295 .4303 .960 .48 |
|
Mg6 .1108 .2929 .470 .52 |
|
Mg7 0 0 .230 .9 .89 |
|
Fe7 0 0 .230 .1 .89 |
|
B1 .2582 .2555 .968 .46 |
|
B2 .1527 .0245 .585 .66 |
|
B3 .4869 .3275 .602 .51 |
|
O2 .3045 .1938 .003 .88 |
|
O3 .1797 .2472 .954 .30 |
|
O4 .2915 .3271 .953 .31 |
|
O6 .0643 .1852 .445 .52 |
|
O8 .0816 .0301 .764 .50 |
|
O9 .3078 .4569 .464 .57 |
|
O11 .1870 .0918 .470 .57 |
|
O12 .4556 .3914 .772 .68 |
|
O13 .4335 .2744 .484 .70 |
|
Oh1 .1608 .3954 .467 .79 |
|
Oh5 .0394 .3228 .991 .62 |
|
Oh7 .4104 .1291 .504 .75 |
|
Oh10 .3143 .0351 .998 .68 |
|
H1 .114 .426 .460 2 |
|
H2 .026 .378 .976 2 |
|
H3 .058 .583 .513 2 |
|
H4 .13 .525 .984 2 |
|
Cl 0 .5 .943 .8 .16 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kermesite |
|
Bonazzi P, Menchetti S, Sabelli C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 557-567 |
|
Structure refinement of kermesite: symmetry, twinning, and comparison with stibnite |
|
Locality: Braunsdorf, Czechoslovakia |
|
_database_code_amcsd 0014820 |
|
8.147 10.709 5.785 102.78 110.63 101.00 P-1 |
|
atom x y z Biso |
|
Sb1 .1680 .6314 .0381 1.09 |
|
Sb2 .6602 .6298 .0140 1.16 |
|
Sb3 .1253 .8543 .6323 1.47 |
|
Sb4 .6515 .9146 .6789 1.60 |
|
S1 .8098 .7027 .4962 1.37 |
|
S2 .2911 .6925 .5169 1.40 |
|
S3 .0467 .9095 .2255 1.26 |
|
S4 .5211 .9106 .2290 1.35 |
|
O1 .8996 .5669 .0352 1.31 |
|
O2 .4135 .5724 .0770 1.51 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Menchettiite |
| |
Bindi L, Keutsch F N, Bonazzi P |
| |
American Mineralogist 97 (2012) 440-446 |
|
Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, |
|
belonging to the lillianite series from the Uchucchacua polymetallic |
|
deposit, Lima Department, Peru |
|
Note site occupancy model I |
|
Locality: Uchucchacua, Lima Department, Peru |
|
_database_code_amcsd 0018781 |
|
19.233 12.633 8.476 90 90.08 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) |
|
SbM1 .1373 .3542 .1313 .77 .078 .059 .118 .056 .013 .013 .015 |
|
MnM1 .1373 .3542 .1313 .18 .078 .059 .118 .056 .013 .013 .015 |
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PbM1 .1373 .3542 .1313 .05 .078 .059 .118 .056 .013 .013 .015 |
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AsM2 .0605 .6271 .1220 .57 .035 .035 .026 .044 -.006 .005 -.008 |
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SbM2 .0605 .6271 .1220 .43 .035 .035 .026 .044 -.006 .005 -.008 |
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PbM3 .2427 .5750 .3818 .65 .072 .056 .097 .064 .026 .010 .018 |
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SbM3 .2427 .5750 .3818 .35 .072 .056 .097 .064 .026 .010 .018 |
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AgM4 .3593 .3320 .1296 .078 .074 .085 .074 .049 .024 .016 |
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MnM5 .4529 .6006 .1302 .58 .039 .032 .046 .038 .004 -.0007 -.001 |
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PbM5 .4529 .6006 .1302 .42 .039 .032 .046 .038 .004 -.0007 -.001 |
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SbM6 .1185 .3444 .6177 .0457 .056 .035 .046 -.002 .008 -.002 |
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SbM7 .0535 .6435 .6442 .68 .046 .026 .054 .058 .005 .003 -.023 |
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AsM7 .0535 .6435 .6442 .32 .046 .026 .054 .058 .005 .003 -.023 |
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PbM8 .24490 .5865 .8809 .0394 .0331 .0354 .0497 .0022 -.0058 .001 |
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MnM9 .3643 .3519 .623 .027 .024 .024 .033 -.003 -.001 .006 |
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AsM10 .4377 .6106 .6362 .0224 .026 .015 .026 .001 .002 .004 |
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S1 .1004 .5071 .331 .036 .033 .043 .031 .005 .005 .016 |
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S2 -.0065 .2378 .157 .039 .034 .033 .050 .006 .007 .006 |
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S3 .2553 .4399 .142 .035 .041 .030 .034 .011 -.002 -.002 |
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S4 .1630 .7261 .102 .024 .027 .025 .020 -.004 .004 -.005 |
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S5 .3916 .5128 .431 .042 .042 .018 .067 .000 .010 .003 |
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S6 .3440 .7213 .109 .048 .028 .032 .084 -.009 -.001 .005 |
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S7 .0927 .5105 .914 .041 .033 .016 .073 -.005 .005 .003 |
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S8 .4838 .280 .076 .044 .045 .053 .033 .016 -.002 .007 |
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S9 .2370 .4284 .619 .038 .030 .022 .062 .005 .002 .008 |
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S10 .1650 .7242 .638 .045 .033 .023 .079 .008 .019 -.019 |
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S11 .4005 .4954 .830 .032 .034 .032 .030 .008 -.005 .003 |
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S12 .3429 .7300 .658 .027 .026 .035 .019 -.003 -.002 .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
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Menchettiite |
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Bindi L, Keutsch F N, Bonazzi P |
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American Mineralogist 97 (2012) 440-446 |
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Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, |
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belonging to the lillianite series from the Uchucchacua polymetallic |
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deposit, Lima Department, Peru |
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Note site occupancy model II |
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Locality: Uchucchacua, Lima Department, Peru |
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_database_code_amcsd 0018782 |
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19.233 12.633 8.476 90 90.08 90 P2_1/n |
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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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MnM1 .1373 .3542 .1313 .60 .078 .059 .118 .056 .013 .013 .015 |
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PbM1 .1373 .3542 .1313 .40 .078 .059 .118 .056 .013 .013 .015 |
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AsM2 .0605 .6271 .1220 .57 .035 .035 .026 .044 -.006 .005 -.008 |
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SbM2 .0605 .6271 .1220 .35 .035 .035 .026 .044 -.006 .005 -.008 |
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PbM3 .2427 .5750 .3818 .65 .072 .056 .097 .064 .026 .010 .018 |
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SbM3 .2427 .5750 .3818 .35 .072 .056 .097 .064 .026 .010 .018 |
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AgM4 .3593 .3320 .1296 .078 .074 .085 .074 .049 .024 .016 |
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SbM5 .4529 .6006 .1302 .77 .039 .032 .046 .038 .004 -.0007 -.001 |
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PbM5 .4529 .6006 .1302 .23 .039 .032 .046 .038 .004 -.0007 -.001 |
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SbM6 .1185 .3444 .6177 .0457 .056 .035 .046 -.002 .008 -.002 |
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SbM7 .0535 .6435 .6442 .68 .046 .026 .054 .058 .005 .003 -.023 |
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AsM7 .0535 .6435 .6442 .32 .046 .026 .054 .058 .005 .003 -.023 |
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PbM8 .24490 .5865 .8809 .0394 .0331 .0354 .0497 .0022 -.0058 .001 |
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MnM9 .3643 .3519 .623 .027 .024 .024 .033 -.003 -.001 .006 |
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AsM10 .4377 .6106 .6362 .0224 .026 .015 .026 .001 .002 .004 |
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S1 .1004 .5071 .331 .036 .033 .043 .031 .005 .005 .016 |
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S2 -.0065 .2378 .157 .039 .034 .033 .050 .006 .007 .006 |
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S3 .2553 .4399 .142 .035 .041 .030 .034 .011 -.002 -.002 |
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S4 .1630 .7261 .102 .024 .027 .025 .020 -.004 .004 -.005 |
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S5 .3916 .5128 .431 .042 .042 .018 .067 .000 .010 .003 |
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S6 .3440 .7213 .109 .048 .028 .032 .084 -.009 -.001 .005 |
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S7 .0927 .5105 .914 .041 .033 .016 .073 -.005 .005 .003 |
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S8 .4838 .280 .076 .044 .045 .053 .033 .016 -.002 .007 |
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S9 .2370 .4284 .619 .038 .030 .022 .062 .005 .002 .008 |
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S10 .1650 .7242 .638 .045 .033 .023 .079 .008 .019 -.019 |
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S11 .4005 .4954 .830 .032 .034 .032 .030 .008 -.005 .003 |
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S12 .3429 .7300 .658 .027 .026 .035 .019 -.003 -.002 .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
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