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Abernathyite |
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Ross M, Evans H T |
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American Mineralogist 49 (1964) 1578-1602 |
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Studies of the torbernite minerals (I): The crystal structure of abernathyite |
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and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O |
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_database_code_amcsd 0000130 |
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7.176 7.176 18.126 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Biso |
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As .75 .25 0 1.84 |
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U .25 .25 .0514 1.90 |
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Oa .25 .25 .1515 2.99 |
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Ob .25 .25 .9575 2.48 |
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Oc .6963 .0729 .4433 2.75 |
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OHd .1650 .9876 .3154 .75 3.71 |
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K .1650 .9876 .3154 .25 3.71 |
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Abernathyite |
|
Ross M, Evans H T |
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American Mineralogist 49 (1964) 1578-1602 |
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Studies of the torbernite minerals (I): The crystal structure of abernathyite |
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and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O |
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Sample : Abernathyite - NH4 |
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_database_code_amcsd 0000131 |
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7.189 7.189 18.191 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Biso |
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As .75 .25 0 1.68 |
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U .25 .25 .0512 2.54 |
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Oa .25 .25 .151 |
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Ob .25 .25 .956 3.0 |
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Oc .696 .076 .447 |
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OHd .158 .993 .317 .75 3.3 |
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NH4 .158 .993 .317 .25 3.3 |
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Abernathyite |
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Ross M, Evans H T |
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American Mineralogist 49 (1964) 1578-1602 |
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Studies of the torbernite minerals (I): The crystal structure of abernathyite |
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and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O |
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Sample: Abernathyite - K(H3O) |
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_database_code_amcsd 0000132 |
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7.171 7.171 18.048 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z occ Biso |
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As .75 .25 0 1.59 |
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U .25 .25 .0520 2.27 |
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Oa .25 .25 .150 3.6 |
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Ob .25 .25 .958 2.9 |
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Oc .696 .071 .448 |
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OHd .150 .993 .315 .75 4.1 |
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OH3 .150 .993 .315 .125 4.1 |
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K .150 .993 .315 .125 4.1 |
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Metatorbernite |
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Ross M, Evans H T, Appleman D E |
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American Mineralogist 49 (1964) 1603-1621 |
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Studies of the torbernite minerals (II): The crystal structure of |
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meta-torbernite |
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_database_code_amcsd 0000133 |
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6.969 6.969 17.306 90 90 90 P4/n |
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atom x y z Biso |
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P1 .25 .75 0 .1 |
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P2 .25 .75 .5 .1 |
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Cu .25 .25 .8099 1.1 |
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U1 .25 .25 .0510 .76 |
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U2 .25 .25 .5524 .63 |
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O1 .25 .25 .1564 1.6 |
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O2 .25 .25 .6563 1.2 |
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O3 .25 .25 .9488 .7 |
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O4 .25 .25 .4403 1.5 |
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O5 .7834 .0802 .4466 1.6 |
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O6 .7038 .0818 .9486 .4 |
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Wat7 .3476 .9814 .3105 2.7 |
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Wat8 .2225 .9768 .8095 2.6 |
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Gedrite |
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Papike J J, Ross M |
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American Mineralogist 55 (1970) 1945-1972 |
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Gedrites: Crystal structures and intracrystalline cation distributions |
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sample 001 |
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_database_code_amcsd 0000215 |
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18.531 17.741 5.249 90 90 90 Pnma |
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atom x y z occ Biso |
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Si1A .2315 -.1631 -.4487 .66 .43 |
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Al1A .2315 -.1631 -.4487 .34 .43 |
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Si1B .0202 -.1645 .2971 .62 .42 |
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Al1B .0202 -.1645 .2971 .38 .42 |
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Si2A .2278 -.0760 .0502 .46 |
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Si2B .0266 -.0802 -.1985 .84 .58 |
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Al2B .0266 -.0802 -.1985 .16 .58 |
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Mg1 .1244 .1611 .3737 .88 .75 |
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Fe1 .1244 .1611 .3737 .12 .75 |
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Al2 .1248 .0731 -.1281 .60 .34 |
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Mg2 .1248 .0731 -.1281 .36 .34 |
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Fe2 .1248 .0731 -.1281 .04 .34 |
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Mg3 .1249 .25 -.1248 .90 .47 |
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Fe3 .1249 .25 -.1248 .10 .47 |
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Mg4 .1189 -.0145 .3636 .55 .63 |
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Fe4 .1189 -.0145 .3636 .42 .63 |
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Ca4 .1189 -.0145 .3636 .02 .63 |
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Na4 .1189 -.0145 .3636 .01 .63 |
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Na .1151 -.2500 .8533 .34 1.47 |
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O1A .1796 .1603 .0312 .40 |
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O1B .0695 .1584 -.2860 .92 |
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O2A .1840 .0737 -.4436 1.05 |
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O2B .0622 .0742 .1875 .50 |
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O3A .1797 .25 -.4571 1.02 |
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O3B .0700 .25 .2087 .75 |
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O4A .1868 .0022 .0425 .62 |
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O4B .0679 -.0046 -.2985 .74 |
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O5A .1968 -.1090 .3206 1.06 |
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O5B .0549 -.1026 .0943 .72 |
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O6A .2022 -.1313 -.1752 .73 |
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O6B .0472 -.1450 -.4097 1.49 |
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O7A .2030 -.2500 .5138 .65 |
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O7B .0454 -.2500 .2153 1.31 |
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Sodicgedrite |
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Papike J J, Ross M |
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American Mineralogist 55 (1970) 1945-1972 |
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Gedrites: Crystal structures and intracrystalline cation distributions |
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sample 002 |
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_database_code_amcsd 0000216 |
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18.601 17.839 5.284 90 90 90 Pnma |
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atom x y z occ Biso |
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Si1A .2323 -.1626 -.4505 .73 .56 |
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Al1A .2323 -.1626 -.4505 .27 .56 |
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Si1B .0199 -.1641 .3018 .56 .50 |
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Al1B .0199 -.1641 .3018 .44 .50 |
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Si2A .2282 -.0759 .0509 .98 .44 |
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Al2A .2282 -.0759 .0509 .02 .44 |
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Si2B .0268 -.0799 -.1947 .71 .59 |
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Al2B .0268 -.0799 -.1947 .29 .59 |
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Mg1 .1242 .1603 .3705 .67 .71 |
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Fe1 .1242 .1603 .3705 .33 .71 |
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Al2 .1247 .0724 -.1290 .68 .30 |
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Mg2 .1247 .0724 -.1290 .23 .30 |
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Fe2 .1247 .0724 -.1290 .09 .30 |
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Mg3 .1243 .25 -.1294 .61 .57 |
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Fe3 .1243 .25 -.1294 .39 .57 |
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Fe4 .1184 -.0153 .3635 .65 .62 |
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Mg4 .1184 -.0153 .3635 .32 .62 |
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Ca4 .1184 -.0153 .3635 .02 .62 |
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Na4 .1184 -.0153 .3635 .01 .62 |
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Na .1171 -.2500 .8480 .52 1.53 |
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O1A .1790 .1581 .0315 .78 |
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O1B .0701 .1568 -.2900 .76 |
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O2A .1850 .0731 -.4409 .80 |
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O2B .0635 .0739 .1808 .85 |
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O3A .1811 .25 -.4662 .77 |
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O3B .0701 .25 .2111 .90 |
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O4A .1863 .0028 .0445 .85 |
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O4B .0685 -.0049 -.2986 .86 |
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O5A .1973 -.1100 .3215 .78 |
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O5B .0545 -.1014 .0989 1.01 |
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O6A .2030 -.1320 -.1763 1.12 |
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O6B .0473 -.1461 -.4036 1.10 |
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O7A .2050 -.2500 .5141 1.18 |
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O7B .0453 -.2500 .2154 .77 |
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|
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Pigeonite |
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Clark J R, Ross M, Appleman D E |
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American Mineralogist 56 (1971) 888-908 |
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Crystal chemistry of a lunar pigeonite |
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class b data refinement |
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_database_code_amcsd 0000248 |
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9.678 8.905 5.227 90 108.71 90 P2_1/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 .2506 .6548 .2300 .67 .55 |
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Fe1 .2506 .6548 .2300 .33 .55 |
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Mg2 .2564 .0167 .2246 .41 .51 .0017 .0018 .0038 .0003 .0006 .0004 |
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Fe2 .2564 .0167 .2246 .59 .51 .0017 .0018 .0038 .0003 .0006 .0004 |
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SiA .0434 .3399 .2844 .40 |
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SiB .5520 .8364 .2368 .34 |
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O1A .8684 .3373 .1740 .57 |
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O1B .3755 .8357 .1296 .43 |
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O2A .1231 .4977 .3312 .78 |
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O2B .6314 .9850 .3814 .59 |
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O3A .1048 .2683 .5917 1.12 .0022 .0054 .0095 .0000 .0016 .0033 |
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O3B .6045 .7047 .4707 1.05 .0022 .0044 .0110 .0007 .0022 .0026 |
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Biotite |
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Takeda H, Ross M |
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American Mineralogist 60 (1975) 1030-1040 |
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Mica polytypism: Dissimilarities in the crystal structures of coexisting 1M and |
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2M1 biotite |
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_database_code_amcsd 0000478 |
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5.331 9.231 10.173 90 100.16 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 0 0 .5 .667 .0085 .0019 .0050 0 .0023 0 |
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Mg2 0 .3392 .5 .667 .0064 .0033 .0041 0 .0012 0 |
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Al1 0 0 .5 .333 .0085 .0019 .0050 0 .0023 0 |
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Al2 0 .3392 .5 .333 .0064 .0033 .0041 0 .0012 0 |
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K1 0 .5 0 .0180 .0053 .0079 0 .0028 0 |
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Si1 .0745 .1671 .2242 .750 .0055 .00127 .00309 .0000 .0013 -.0000 |
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Al3 .0745 .1671 .2242 .25 .0055 .00127 .00309 .0000 .0013 -.0000 |
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O1 .0165 0 .1674 .0172 .0024 .0041 0 .0013 0 |
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O2 .3240 .2310 .1660 .0115 .0044 .0050 -.0017 .0017 -.0006 |
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O3 .1310 .1684 .3906 .0074 .0018 .0033 .0003 .0015 .0000 |
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OH4 .1312 .5 .3985 .0079 .0028 .0031 0 .0008 0 |
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Biotite |
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Takeda H, Ross M |
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American Mineralogist 60 (1975) 1030-1040 |
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Mica polytypism: Dissimilarities in the crystal structures of coexisting 1M and |
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2M1 biotite |
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_database_code_amcsd 0000479 |
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5.329 9.234 20.098 90 95.09 90 C2/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 .75 .25 0 .667 .0055 .0025 .0007 0 .0003 0 |
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Al1 .75 .25 0 .333 .0055 .0025 .0007 0 .0003 0 |
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Mg2 .2406 .0802 -.00004 .667 .0110 .0026 .0006 .0020 .0002 .0002 |
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Al2 .2406 .0802 -.00004 .333 .0110 .0026 .0006 .0020 .0002 .0002 |
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K 0 .0840 .25 .5 .0182 .0065 .0015 0 .0003 0 |
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Si1 .4621 .2498 .1380 .75 .0052 .0023 .0005 .0003 .0001 .0001 |
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Al3 .4621 .2498 .1380 .25 .0052 .0023 .0005 .0003 .0001 .0001 |
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Si2 .9635 .4169 .1380 .75 .0053 .0022 .0005 -.0006 .0002 -.0002 |
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Al4 .9635 .4169 .1380 .25 .0053 .0022 .0005 -.0006 .0002 -.0002 |
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O1 .7410 .3140 .1662 .0136 .0054 .0008 -.0019 .0000 .0001 |
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O2 .2430 .3532 .1672 .0108 .0060 .0008 .0025 .0000 -.0002 |
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O3 .4337 .0840 .1666 .0181 .0038 .0007 .0003 .0004 .0000 |
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O4 .4314 .2406 .0545 .0047 .0007 .0006 .0001 .0003 .0004 |
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O5 .9375 .4090 .0547 .0070 .0014 .0005 .0011 .0002 .0005 |
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O6 .9348 .0739 .0508 .0088 .0011 .0006 .0009 .0000 .0000 |
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Gonnardite |
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Evans H T, Konnert J A, Ross M |
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American Mineralogist 85 (2000) 1808-1815 |
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The crystal structure of tetranatrolite from Mont Saint-Hilaire, Quebec, and its |
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chemical and structural relationship to paranatrolite and gonnardite |
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_database_code_amcsd 0002597 |
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13.197 13.197 6.630 90 90 90 I-42d |
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atom x y z occ Uiso |
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Si1 0 0 0 .57 .0225 |
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Al1 0 0 0 .43 .0225 |
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Si2 .0544 .1330 .6214 .57 .0214 |
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Al2 .0544 .1330 .6214 .43 .0214 |
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O1 .3944 .25 .125 .022 |
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O2 .1333 .0627 .4813 .032 |
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O3 .0506 .0918 .8603 .015 |
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Na .6914 .25 .125 .85 .032 |
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Ca .6914 .25 .125 .15 .032 |
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Wat4 .1334 .25 .125 .047 |
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Wat5 .872 .260 .182 .18 .033 |
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|
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Diaoyudaoite |
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Beevers C, Ross M |
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Zeitschrift fur Kristallographie 97 (1937) 59-66 |
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The crystal structure of beta alumina Na2O(Al2O3)11 |
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_cod_database_code 1010017 |
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_database_code_amcsd 0016956 |
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5.584 5.584 22.45 90 90 120 P6_3/mmc |
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atom x y z |
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Na1 2/3 1/3 .25 |
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Al1 0 0 0 |
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Al2 1/3 2/3 .022 |
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Al3 1/3 1/6 .106 |
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Al4 1/3 2/3 .178 |
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O1 1/6 1/3 .05 |
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O2 2/3 1/3 .05 |
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O3 0 0 .144 |
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O4 .5 .5 .144 |
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O5 1/3 2/3 .25 |
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|
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