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Eakerite |
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Kossiakoff A A, Leavens P B |
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American Mineralogist 61 (1976) 956-962 |
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The crystal structure of eakerite, a calcium-tin silicate |
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Note: z-coordinate of Si2 altered |
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_database_code_amcsd 0000529 |
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15.892 7.721 7.438 90 101.34 90 P2_1/a |
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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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Sn 0 0 0 .0078 .0082 .0089 .0004 .0012 .0027 |
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Ca .3005 .3111 .0021 .0092 .0109 .0100 -.0005 .0023 -.0005 |
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Al .2708 .0220 -.3172 .0055 .0059 .0065 .0001 .0014 .0002 |
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Si1 .4554 .1697 .7132 .0043 .0060 .0062 -.0001 .0018 -.0007 |
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Si2 .1661 .1445 .3091 .0054 .0063 .0055 .0004 .0006 .0001 |
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Si3 .4932 .2181 .3349 .0037 .0071 .0051 .0002 .0011 .0007 |
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O1 .0197 .1993 -.1614 .0096 .0140 .0134 .0021 .0026 .0035 |
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O2 .5051 -.0164 -.2694 .0153 .0039 .0237 .0025 .0035 -.0007 |
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O3 .2143 .3083 .2372 .0111 .0135 .0101 -.0011 .0032 -.0032 |
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O4 .1225 .0234 .1411 .0156 .0096 .0099 .0014 .0024 -.0027 |
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O5 .3625 .1448 -.2316 .0082 .0143 .0109 -.0015 .0028 -.0024 |
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O6 .4470 .3340 .1645 .0086 .0104 .0129 .0002 -.0014 .0005 |
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O7 .2362 .0349 .4488 .0092 .0131 .0133 .0015 .0014 .0001 |
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Wat8 .3193 .0030 .1531 .0154 .0179 .0166 .0010 -.0011 -.0012 |
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OH9 .2017 .1031 -.1811 .0097 .0154 .0122 .0026 .0021 .0011 |
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O10 .4397 .2281 .4977 .0102 .0191 .0091 .0001 .0028 .0001 |
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O11 .0922 .2216 .4124 .0110 .0153 .0124 .0036 .0029 -.0008 |
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Vesuvianite |
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Fitzgerald S, Rheingold A L, Leavens P B |
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American Mineralogist 71 (1986) 1011-1014 |
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Crystal structure of Cu-bearing vesuvianite |
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_database_code_amcsd 0001044 |
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15.532 15.532 11.776 90 90 90 *P4/nnc |
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.25 .25 .25 |
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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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Si1 -.25 .25 0 .755 .008 .008 .009 0 0 0 |
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Al1 -.25 .25 0 .245 .008 .008 .009 0 0 0 |
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Si2 -.0404 .1810 .3713 .008 .006 .007 .000 .000 .000 |
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Si3 -.0832 -.1509 .3647 .011 .006 .008 .000 .000 .000 |
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Ca1 -.25 .25 .25 .012 .007 .007 0 0 0 |
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Ca2 -.1890 .0441 .3793 .007 .009 .008 .001 .000 .000 |
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Ca3 .1012 .3197 .3889 .009 .010 .016 -.003 .005 -.004 |
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Cac .25 .25 .6452 .14 .009 .009 .009 0 0 0 |
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Mnc .25 .25 .6452 .34 .009 .009 .009 0 0 0 |
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Cub .25 .25 .5588 .355 .007 .007 .019 0 0 0 |
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Feb .25 .25 .5588 .145 .007 .007 .019 0 0 0 |
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Al1 -.1127 .1214 .1266 .795 .007 .008 .007 .000 .001 .000 |
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Mg -.1127 .1214 .1266 .07 .007 .008 .007 .000 .001 .000 |
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Zn -.1127 .1214 .1266 .121 .007 .008 .007 .000 .001 .000 |
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Ala 0 .5 .5 .007 .006 .009 .000 -.001 .000 |
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O1 -.2200 .1727 .0858 .012 .006 .010 -.001 .0000 -.001 |
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O2 -.1168 .1598 .2791 .011 .011 .009 -.001 -.002 .003 |
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O3 -.0489 .2219 .0755 .009 .008 .008 .001 -.001 .0000 |
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O4 -.0615 .1062 .4702 .008 .006 .010 .001 -.001 .001 |
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O5 -.1704 .0146 .1785 .011 .013 .010 .003 .002 -.001 |
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O6 .1188 .2284 .5582 .021 .011 .014 -.002 -.005 .003 |
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O7 .0564 .1738 .3222 .008 .013 .013 .001 .001 .000 |
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O8 .0603 .4094 .5670 .010 .008 .011 -.001 -.003 .000 |
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O9 .1448 -.1448 .25 .5 .013 .013 .007 -.002 -.0000 .000 |
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OH10 .25 .25 .3635 .25 .007 .007 .015 0 0 0 |
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F10 .25 .25 .3635 .533 .007 .007 .015 0 0 0 |
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OH11 -.0039 .0619 .1363 .007 .010 .007 .000 -.001 -.002 |
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Switzerite |
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Zanazzi P F, Leavens P B, White J S |
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American Mineralogist 71 (1986) 1224-1228 |
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Crystal structure of switzerite, Mn3(PO4)2.7H2O and its relationship to |
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metaswitzerite, Mn3(PO4)2.4H2O |
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_database_code_amcsd 0001047 |
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8.528 13.166 11.812 90 110.05 90 P2_1/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 -.0495 .8831 -.0218 .0048 .0030 .0305 -.0012 .0082 -.0003 |
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Mn2 .0561 .6165 -.0172 .0045 .0019 .0318 .0006 .0111 .0007 |
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Mn3 .5827 .1243 .3363 .0117 .0101 .0306 -.0005 .0094 .0018 |
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P1 .3346 .9442 .1667 .0022 .0056 .0269 -.0004 .0086 .0018 |
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P2 .1859 .7886 -.1746 .0024 .0056 .0230 .0002 .0066 -.0001 |
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O1 .4013 .0088 .2783 .0205 |
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O2 -.0635 .5325 .0856 .0136 |
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O3 .8479 .6696 .1964 .0183 |
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O4 .6486 .5262 .1002 .0094 |
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O5 .0895 .8708 -.1374 .0147 |
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O6 .0832 .7499 -.2995 .0205 |
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O7 .6485 .1651 .1751 .0125 |
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O8 .2246 .6997 -.0841 .0109 |
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OH9 .3135 .5698 .1174 .0127 |
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OH10 -.0463 .6111 -.5191 .0417 |
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OH11 -.2715 .7280 -.4574 .0492 |
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OH12 -.2909 .5156 -.4036 .0452 |
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OH13 -.1552 .9346 .6287 .0410 |
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OH14 .0537 .7477 .0943 .0135 |
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OH15 .4303 .6651 .3397 .0568 |
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Vesuvianite |
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Fitzgerald S, Rheingold A L, Leavens P B |
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American Mineralogist 71 (1986) 1483-1488 |
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Crystal structure of a non-P4/nnc vesuvianite from Asbestos, Quebec |
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_database_code_amcsd 0001060 |
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15.504 15.504 11.808 90 90 90 *P4/n |
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.25 -.25 0 |
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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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Si1a -.25 .25 .5 .006 .006 .004 0 0 0 |
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Si1b -.25 .25 0 .49 .006 .006 .005 0 0 0 |
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Al1b -.25 .25 0 .51 .006 .006 .005 0 0 0 |
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Si2a -.0399 .3180 .1308 .006 .005 .005 .001 .001 .000 |
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Si2b -.0422 .1797 .3727 .005 .005 .006 .000 .000 .000 |
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Si3a .0795 .1506 .6364 .007 .005 .005 -.001 .000 .000 |
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Si3b .0889 .3482 -.1335 .009 .004 .005 -.001 .001 -.001 |
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Ca1a -.25 .25 .2498 .011 .006 .004 -.001 0 0 |
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Ca2a .1902 -.0421 .6215 .007 .008 .008 .000 -.001 .000 |
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Ca2b -.0457 .1880 -.1191 .009 .006 .007 .001 .000 .000 |
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Ca3a .1782 .4005 .1222 .011 .009 .014 -.002 -.002 .002 |
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Ca3b .3147 .3958 -.6043 .010 .009 .013 .001 -.001 -.003 |
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Cac1 .25 .25 -.3498 .68 .009 |
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Cac2 .25 .25 -.1499 .26 .008 |
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Mnc2 .25 .25 -.1499 .06 .008 |
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Al1a -.1136 .1194 .1253 .007 .008 .008 .000 .001 .000 |
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Al1b -.1229 .1111 .6266 .006 .005 .007 .000 .000 .000 |
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Ala1 0 0 .5 .005 .005 .006 .001 .001 -.001 |
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Ala2 0 .5 0 .914 .005 .005 .009 -.001 .000 .001 |
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Mga2 0 .5 0 .186 .005 .005 .009 -.001 .000 .001 |
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Alb1 .25 .25 -.0297 .5 .003 |
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Alb2 .25 .25 -.4652 .5 .003 |
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O1a -.2215 .1723 .0858 .011 .007 .006 .001 .001 .001 |
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O1b -.2823 .1733 .4144 .008 .006 .006 -.001 .000 .001 |
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O2a -.1187 .1574 .2808 .007 .008 .009 .000 -.002 .002 |
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O2b -.1166 .3384 .2239 .010 .009 .005 .000 .002 .001 |
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O3a -.0480 .2213 .0768 .010 .009 .008 .000 -.002 .000 |
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O3b -.0496 .2772 .4240 .008 .007 .007 .000 .001 .000 |
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O4a -.0638 .1054 .4728 .008 .006 .007 .001 -.001 .001 |
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O4b -.0613 .3933 .0326 .011 .006 .010 .002 .004 .001 |
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O5a -.0088 .3270 -.1757 .012 .007 .010 -.002 -.002 .001 |
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O5b -.0190 .1677 .6795 .010 .008 .006 .001 .001 -.001 |
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O6a .1290 .2719 -.0576 .020 .011 .011 .004 .000 .003 |
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O6b .1135 .2293 .5624 .016 .010 .011 -.004 -.004 .005 |
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O7a .0555 .1701 .3262 .009 .014 .006 .003 .000 -.001 |
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O7b .0559 .3250 .1827 .006 .010 .013 -.001 .001 -.001 |
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O8a .0929 .4381 -.0631 .008 .006 .010 .001 .000 -.002 |
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O8b .0899 .0603 .5687 .006 .007 .012 .000 -.003 -.003 |
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O9a .1418 .1481 .7510 .009 .011 .007 -.002 -.001 .001 |
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O10a .25 .25 .1235 .5 .010 .010 .015 0 0 0 |
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OH10a .25 .25 .1235 .5 .010 .010 .015 0 0 0 |
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O10b -.25 -.25 -.3568 .5 .009 .009 .011 0 0 0 |
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OH10b -.25 -.25 -.3568 .5 .009 .009 .011 0 0 0 |
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OH11a -.0054 .0592 .1369 .013 .013 .007 -.004 .000 -.001 |
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OH11b -.0640 -.0040 .6351 .013 .008 .007 .000 .002 .001 |
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|
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Vesuvianite |
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Fitzgerald S, Leavens P B, Rheingold A L, Nelen J A |
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American Mineralogist 72 (1987) 625-628 |
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Crystal structure of a REE-bearing vesuvianite from San Benito County, |
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California |
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_database_code_amcsd 0001092 |
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15.799 15.799 11.917 90 90 90 *P4/n |
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.25 -.25 0 |
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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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Si1a -.25 .25 .5 .008 .008 .008 .004 0 0 0 |
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Si1b -.25 .25 0 .010 .008 .008 .015 0 0 0 |
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Si2a -.0404 .3187 .1279 .010 .014 .009 .008 .000 .001 -.001 |
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Si2b -.0408 .1812 .3726 .012 .011 .011 .015 -.000 -.002 -.001 |
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Si3a .0848 .1507 .6375 .010 .012 .008 .011 -.000 -.001 .000 |
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Si3b .0851 .3489 -.1371 .010 .011 .010 .008 .000 -.000 -.002 |
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Ca1a -.25 .25 .2496 .014 .021 .013 .010 0 0 -.000 |
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Ca2a .1893 -.0477 .6219 .012 .011 .013 .014 -.000 -.001 .000 |
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Ca2b -.0474 .1893 -.1220 .013 .014 .011 .013 .001 -.000 .002 |
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Ca3a .1784 .3985 .1094 .64 .014 |
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Ce3a .1784 .3985 .1094 .42 .012 .009 .012 .016 .003 .000 .005 |
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Ca3b .3219 .3988 -.6087 .31 .014 |
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Ce3b .3219 .3988 -.6087 .51 .013 .010 .014 .016 -.002 -.000 .005 |
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Cac1 .25 .25 -.3530 .033 .038 .038 .021 0 0 0 |
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Cac2 .25 .25 -.1453 .015 .015 .015 .017 0 0 0 |
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Mg1a .0002 -.1108 .1197 .5 .014 |
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Fe1a .0002 -.1108 .1197 .5 .005 .009 .002 .003 -.002 .002 .002 |
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Mg1b -.1204 .1114 .6266 .5 .014 |
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Fe1b -.1204 .1114 .6266 .5 .007 .008 .007 .008 -.003 -.001 -.005 |
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Ala1 0 0 .5 .018 .019 .017 .019 -.001 -.001 -.000 |
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Ala2 0 .5 0 .023 .018 .018 .032 -.000 .004 -.001 |
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Feb1 .25 .25 -.0511 .019 .012 .012 .033 0 0 0 |
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Feb2 .25 .25 -.4574 .022 .018 .018 .030 0 0 0 |
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O1a -.2245 .1739 .0852 .012 .016 .010 .009 .004 -.001 -.003 |
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O1b -.2786 .1731 .4143 .015 .021 .009 .014 .005 .002 -.000 |
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O2a -.1171 .1626 .2821 .014 .018 .008 .017 -.000 -.004 .002 |
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O2b -.1169 .3372 .2183 .014 .012 .013 .016 -.002 .001 -.003 |
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O3a -.0448 .2244 .0710 .013 .013 .011 .015 -.007 -.001 .004 |
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O3b -.0469 .2767 .4264 .012 .012 .012 .012 .002 .003 .003 |
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O4a -.0594 .1045 .4690 .012 .013 .014 .008 .000 -.002 .004 |
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O4b -.0592 .3925 .033 .012 .017 .008 .011 .003 -.002 .001 |
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O5a -.0087 .3272 -.1805 .014 .011 .018 .013 -.006 -.001 -.006 |
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O5b -.0103 .1723 .6797 .014 .016 .013 .014 -.001 -.004 .002 |
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O6a .1209 .2755 -.0584 .020 .025 .019 .017 .010 .000 .003 |
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O6b .1225 .2224 .5534 .017 .015 .022 .015 -.007 -.003 .002 |
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O7a .0554 .1757 .3227 .016 .010 .015 .022 -.002 -.001 .001 |
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O7b .0573 .3242 .1777 .015 .016 .016 .013 -.002 -.003 -.001 |
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O8a .0937 .4390 -.0733 .014 .014 .017 .012 .000 .006 .001 |
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O8b .0953 .0594 .5730 .013 .018 .004 .016 -.004 .002 .001 |
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O9a .1474 .1475 .7500 .014 .016 .013 .012 -.002 -.000 -.002 |
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OH10a .25 .25 .1397 .037 .027 .027 .057 0 0 0 |
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OH10b -.25 -.25 -.3603 .036 .022 .022 .062 0 0 0 |
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O11a -.0019 .0630 .1366 .016 .015 .015 .020 .002 -.002 -.003 |
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O11b -.0625 .0011 .6352 .015 .013 .018 .013 .002 -.000 .002 |
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|
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|
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Gordonite |
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Leavens P B, Rheingold A L |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 265-270 |
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Crystal structures of gordonite, MgAl2(PO4)2(OH)2(H2O)6*2H2O, and its Mn analog |
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Locality: Little Green Monster mine, Fairfield, Utah, USA |
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_database_code_amcsd 0014827 |
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5.246 10.532 6.975 107.51 111.03 72.21 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg 0 0 0 .014 .013 .013 .014 -.003 .004 .002 |
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Al1 0 .5 0 .010 .010 .010 .010 -.003 .004 .001 |
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Al2 0 .5 .5 .012 .013 .013 .010 -.005 .004 .001 |
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P .3456 .6680 .9258 .010 .011 .012 .005 -.004 .002 .001 |
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Op1 .1695 .6476 .0456 .012 .016 .014 .007 -.006 .005 -.001 |
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Op2 .2943 .5763 .7029 .013 .014 .018 .006 -.007 .001 -.001 |
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Op3 .2680 .8185 .9127 .016 .017 .014 .017 -.003 .004 .004 |
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Op4 .3390 .3699 .9558 .012 .012 .016 .006 -.003 .001 .001 |
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Oh5 .1398 .5033 .2913 .014 .011 .022 .010 -.005 .003 .004 |
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Ow6 .2297 .3177 .5404 .016 .019 .019 .009 -.004 .004 .001 |
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Ow7 .2409 .0110 .3146 .029 .033 .029 .020 -.008 .000 .005 |
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Ow8 .2220 .1083 .9455 .028 .019 .018 .051 -.003 .015 .010 |
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Ow9 .2661 .8080 .5076 .026 .030 .032 .018 -.008 .008 .004 |
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H52 .29 .50 .32 .04 |
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H64 .28 .33 .68 .04 |
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H69 .36 .29 .51 .04 |
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H76 .25 .09 .38 .04 |
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H79 .26 .96 .38 .04 |
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H81 .11 .19 .94 .04 |
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H83 .38 .13 -.03 .04 |
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H93 .29 .82 .63 .04 |
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H96 .21 .76 .44 .04 |
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|
| Download AMC data (View Text File)
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|
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Mangangordonite |
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Leavens P B, Rheingold A L |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 265-270 |
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Crystal structures of gordonite, MgAl2(PO4)2(OH)2(H2O)6*2H2O, and its Mn analog |
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_database_code_amcsd 0014828 |
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5.257 10.363 7.040 105.44 113.07 78.69 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn 0 0 0 .014 .012 .023 -.002 .006 .003 |
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Al1 0 .5 0 .005 .007 .005 -.003 .001 .000 |
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Al2 0 .5 .5 .007 .009 .005 -.003 .002 .000 |
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P .3458 .6651 .9241 .007 .010 .011 -.003 .002 .002 |
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Op1 .1673 .6472 .0442 .010 .012 .011 -.004 .005 .000 |
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Op2 .2943 .5755 .7032 .012 .011 .019 -.002 .006 .004 |
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Op3 .2741 .8131 .9094 .014 .011 .019 -.002 .006 .004 |
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Op4 .3400 .3730 .9094 .007 .014 .011 -.004 .002 .002 |
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Oh5 .1406 .5033 .2905 .008 .018 .008 -.005 .002 .003 |
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Ow6 .2291 .3200 .5415 .016 .018 .010 -.004 .003 .002 |
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Ow7 .2419 .0115 .3285 .032 .034 .031 -.009 -.004 .008 |
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Ow8 .2239 .1116 .9338 .017 .017 .062 -.002 .016 .011 |
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Ow9 .2677 .8020 .5052 .028 .034 .024 -.005 .012 .010 |
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H52 .32 .49 .33 .032 |
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H64 .30 .30 .64 .179 |
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H69 .38 .30 .52 .030 |
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H76 .20 .08 .39 .091 |
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H79 .21 .95 .38 .095 |
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H81 .12 .19 .93 .026 |
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H83 .37 .12 .01 .065 |
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H93 .25 .83 .63 .045 |
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H96 .08 .78 .42 .127 |
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|
| Download AMC data (View Text File)
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|
| |
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