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Pigeonite |
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Morimoto N, Guven N |
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American Mineralogist 55 (1970) 1195-1209 |
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Refinement of the crystal structure of pigeonite |
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Locality: Isle of Mull, Scotland |
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_database_code_amcsd 0000209 |
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9.706 8.950 5.246 90 108.59 90 P2_1/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 .2508 .6548 .2328 .72 .0017 .0016 .0078 .0001 .0013 .0001 |
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Fe1 .2508 .6548 .2328 .28 .0017 .0016 .0078 .0001 .0013 .0001 |
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Fe2 .2564 .0183 .2308 .76 .0028 .0045 .0114 .0005 .0007 .0005 |
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Ca2 .2564 .0183 .2308 .18 .0028 .0045 .0114 .0005 .0007 .0005 |
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Mg2 .2564 .0183 .2308 .06 .0028 .0045 .0114 .0005 .0007 .0005 |
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SiA .0427 .3398 .2797 .0017 .0015 .0069 -.0001 .0010 -.0012 |
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SiB .5504 .8367 .2372 .0014 .0016 .0052 -.0004 .0008 .0006 |
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O1A .8659 .3404 .1715 .0011 .0023 .0067 -.0004 .0003 -.0013 |
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O2A .1220 .4970 .3306 .0041 .0013 .0076 -.0002 .0032 -.0008 |
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O3A .1037 .2633 .5779 .0014 .0030 .0121 -.0006 .0008 .0023 |
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O1B .3743 .8342 .1344 .0023 .0016 .0056 .0003 .0017 -.0007 |
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O2B .6290 .9877 .3765 .0022 .0045 .0139 -.0018 .0033 -.0033 |
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O3B .6053 .7087 .4773 .0010 .0038 .0106 -.0005 .0003 .0024 |
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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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| |
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Pigeonite |
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Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
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American Mineralogist 88 (2003) 1115-1128 |
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Coupling between non-convergent ordering and transition temperature |
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in the C2/c - P2_1/c phase transition in pigeonite |
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Sample: BTS-308 n.17-1, before heat treatment |
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Locality: Parana, Brazil |
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_database_code_amcsd 0003147 |
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9.716 8.946 5.252 90 108.49 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A -.1326 .3381 .1688 .008 .005 .008 .010 .000 .002 .000 |
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O1b .3736 .8364 .1344 .008 .006 .008 .010 .001 .002 .000 |
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O2A .1218 .4994 .3324 .010 .011 .007 .013 -.002 .005 -.001 |
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O2B .6288 .9879 .3726 .014 .014 .010 .020 -.007 .009 -.007 |
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O3A .1043 .2391 .0765 .018 .007 .024 .022 -.001 .004 .000 |
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O3B .6050 .7097 .4808 .013 .007 .019 .013 .001 .003 .008 |
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SiA .0426 .3405 .2761 .006 .005 .005 .010 -.001 .003 -.001 |
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SiB .5494 .8374 .2386 .006 .005 .005 .007 -.001 .003 -.001 |
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MgM1 .2504 .6547 .2319 .7595 .006 .006 .006 .007 .000 .002 .000 |
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FeM1 .2504 .6547 .2319 .2155 .006 .006 .006 .007 .000 .002 .000 |
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MnM1 .2504 .6547 .2319 .0070 .006 .006 .006 .007 .000 .002 .000 |
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CaM2 .2552 .0190 .2294 .1950 .011 .008 .015 .007 .001 .000 .002 |
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MgM2 .2552 .0190 .2294 .1624 .011 .008 .015 .007 .001 .000 .002 |
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FeM2 .2552 .0190 .2294 .6222 .011 .008 .015 .007 .001 .000 .002 |
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MnM2 .2552 .0190 .2294 .0204 .011 .008 .015 .007 .001 .000 .002 |
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| |
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Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
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American Mineralogist 88 (2003) 1115-1128 |
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Coupling between non-convergent ordering and transition temperature |
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in the C2/c - P2_1/c phase transition in pigeonite |
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Sample: BTS-308 n.17-2, after heating at 700 deg C |
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Locality: Parana, Brazil |
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_database_code_amcsd 0003148 |
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9.708 8.941 5.244 90 108.52 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A -.1327 .3384 .1699 .008 .005 .009 .009 .000 .002 .000 |
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O1b .3737 .8368 .1339 .008 .006 .010 .009 .000 .002 .000 |
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O2A .1217 .4995 .3318 .010 .011 .007 .012 -.003 .005 -.001 |
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O2B .6293 .9875 .3740 .014 .014 .010 .020 -.006 .010 -.007 |
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O3A .1043 .2375 .0795 .016 .008 .021 .019 -.001 .004 0 |
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O3B .6051 .7086 .4795 .013 .007 .019 .012 .001 .003 .008 |
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SiA .0426 .3404 .2775 .006 .005 .006 .009 -.001 .003 -.001 |
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SiB .5496 .8374 .2380 .006 .005 .006 .007 -.001 .002 -.001 |
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MgM1 .2504 .6546 .2311 .7283 .006 .006 .006 .007 .000 .002 .000 |
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FeM1 .2504 .6546 .2311 .2458 .006 .006 .006 .007 .000 .002 .000 |
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MnM1 .2504 .6546 .2311 .0079 .006 .006 .006 .007 .000 .002 .000 |
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CaM2 .2553 .0188 .2286 .1953 .011 .008 .015 .007 .001 .000 .002 |
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MgM2 .2553 .0188 .2286 .1974 .011 .008 .015 .007 .001 .000 .002 |
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FeM2 .2553 .0188 .2286 .5879 .011 .008 .015 .007 .001 .000 .002 |
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MnM2 .2553 .0188 .2286 .0194 .011 .008 .015 .007 .001 .000 .002 |
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|
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|
| |
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Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
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in the C2/c - P2_1/c phase transition in pigeonite |
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Sample: BTS-308 n.17-3, after heating at 750 deg C |
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Locality: Parana, Brazil |
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_database_code_amcsd 0003149 |
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9.707 8.941 5.247 90 108.48 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A -.1326 .3385 .1699 .008 .006 .010 .009 .000 .002 .000 |
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O1b .3738 .8369 .1343 .009 .006 .010 .010 .000 .002 .000 |
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O2A .1217 .4996 .3316 .011 .012 .007 .013 -.003 .005 -.001 |
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O2B .6293 .9874 .3737 .014 .014 .011 .020 -.006 .010 -.007 |
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O3A .1045 .2372 .0799 .017 .009 .022 .018 -.001 .004 0 |
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O3B .6050 .7086 .4791 .014 .008 .020 .013 .001 .003 .008 |
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SiA .0427 .3404 .2776 .007 .006 .006 .010 -.001 .003 -.001 |
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SiB .5496 .8374 .2382 .007 .006 .006 .008 -.001 .003 -.001 |
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MgM1 .2504 .6546 .2310 .7159 .007 .007 .006 .008 .009 .000 .002 |
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FeM1 .2504 .6546 .2310 .2544 .007 .007 .006 .008 .009 .000 .002 |
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MnM1 .2504 .6546 .2310 .0082 .007 .007 .006 .008 .009 .000 .002 |
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CaM2 .2554 .0188 .2286 .1953 .011 .009 .016 .008 .002 .001 .002 |
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MgM2 .2554 .0188 .2286 .2049 .011 .009 .016 .008 .002 .001 .002 |
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FeM2 .2554 .0188 .2286 .5807 .011 .009 .016 .008 .002 .001 .002 |
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MnM2 .2554 .0188 .2286 .0191 .011 .009 .016 .008 .002 .001 .002 |
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|
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|
| |
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Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
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in the C2/c - P2_1/c phase transition in pigeonite |
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Sample: BTS-308 n.17-4, after heating at 800 deg C |
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Locality: Parana, Brazil |
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_database_code_amcsd 0003150 |
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9.707 8.943 5.246 90 108.47 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A -.1326 .3386 .1705 .008 .005 .009 .008 .000 .002 .000 |
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O1b .3738 .8369 .1341 .008 .006 .009 .009 .001 .002 .000 |
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O2A .1217 .4995 .3315 .010 .012 .007 .012 -.003 .005 -.001 |
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O2B .6294 .9874 .3741 .013 .014 .011 .019 -.006 .010 -.007 |
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O3A .1041 .2370 .0802 .016 .008 .021 .018 -.001 .004 0 |
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O3B .6049 .7084 .4791 .013 .007 .019 .012 .001 .003 .007 |
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SiA .0426 .3404 .2780 .006 .005 .006 .008 -.001 .003 -.001 |
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SiB .5497 .8373 .2380 .006 .006 .006 .007 -.001 .002 -.001 |
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MgM1 .2505 .6546 .2307 .7108 .006 .007 .006 .006 .000 .002 .000 |
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FeM1 .2505 .6546 .2307 .2626 .006 .007 .006 .006 .000 .002 .000 |
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MnM1 .2505 .6546 .2307 .0085 .006 .007 .006 .006 .000 .002 .000 |
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CaM2 .2554 .0187 .2283 .1935 .011 .009 .015 .007 .002 .001 .002 |
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MgM2 .2554 .0187 .2283 .2188 .011 .009 .015 .007 .002 .001 .002 |
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FeM2 .2554 .0187 .2283 .5668 .011 .009 .015 .007 .002 .001 .002 |
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MnM2 .2554 .0187 .2283 .0189 .011 .009 .015 .007 .002 .001 .002 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
|
in the C2/c - P2_1/c phase transition in pigeonite |
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Sample: BTS-308 n.17-5, after heating at 850 deg C |
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Locality: Parana, Brazil |
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_database_code_amcsd 0003151 |
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9.711 8.944 5.249 90 108.49 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A -.1324 .3385 .1710 .008 .007 .009 .009 .001 .002 .000 |
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O1b .3738 .8371 .1334 .008 .007 .009 .009 .000 .002 -.001 |
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O2A .1216 .4995 .3307 .010 .013 .007 .012 -.003 .007 -.001 |
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O2B .6287 .9875 .3729 .014 .013 .011 .021 -.004 .010 -.006 |
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O3A .1041 .2369 .0802 .014 .007 .018 .016 -.002 .003 -.009 |
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O3B .6047 .7089 .4800 .012 .009 .016 .012 .001 .003 .006 |
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SiA .0426 .3404 .2783 .006 .005 .006 .008 -.001 .003 -.001 |
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SiB .5497 .8372 .2379 .006 .006 .006 .007 -.001 .003 -.001 |
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MgM1 .2504 .6545 .2304 .6900 .007 .007 .006 .006 .000 .002 .000 |
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FeM1 .2504 .6545 .2304 .2784 .007 .007 .006 .006 .000 .002 .000 |
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MnM1 .2504 .6545 .2304 .0087 .007 .007 .006 .006 .000 .002 .000 |
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CaM2 .2554 .0191 .2282 .1787 .011 .010 .016 .007 .002 .001 .003 |
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MgM2 .2554 .0191 .2282 .2310 .011 .010 .016 .007 .002 .001 .003 |
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FeM2 .2554 .0191 .2282 .5720 .011 .010 .016 .007 .002 .001 .003 |
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MnM2 .2554 .0191 .2282 .0183 .011 .010 .016 .007 .002 .001 .003 |
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|
| Download AMC data (View Text File)
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|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 88 (2003) 1115-1128 |
|
Coupling between non-convergent ordering and transition temperature |
|
in the C2/c - P2_1/c phase transition in pigeonite |
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Sample: BTS-308 n.17-6, after the final in situ run to 500 deg C |
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Locality: Parana, Brazil |
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_database_code_amcsd 0003152 |
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9.718 8.951 5.250 90 108.50 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A -.1326 .3384 .1704 .007 .006 .009 .007 -.001 .002 .000 |
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O1b .3734 .8374 .1339 .007 .006 .007 .007 .002 .002 .001 |
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O2A .1220 .4997 .3315 .009 .013 .006 .011 -.005 .006 .001 |
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O2B .6281 .9868 .3717 .014 .013 .010 .020 -.006 .008 -.004 |
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O3A .1041 .2370 .0798 .012 .006 .014 .014 .000 .001 -.008 |
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O3B .6043 .7098 .4800 .011 .006 .017 .010 .001 .002 .005 |
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SiA .0424 .3407 .2780 .006 .004 .005 .008 -.001 .002 -.002 |
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SiB .5498 .8370 .2377 .005 .005 .004 .007 .000 .002 .000 |
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MgM1 .2505 .6546 .2303 .7010 .006 .006 .005 .006 -.001 .001 -.001 |
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FeM1 .2505 .6546 .2303 .2736 .006 .006 .005 .006 -.001 .001 -.001 |
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MnM1 .2505 .6546 .2303 .0086 .006 .006 .005 .006 -.001 .001 -.001 |
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CaM2 .2554 .0194 .2281 .1803 .011 .009 .015 .007 .002 -.001 .002 |
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MgM2 .2554 .0194 .2281 .2406 .011 .009 .015 .007 .002 -.001 .002 |
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FeM2 .2554 .0194 .2281 .5607 .011 .009 .015 .007 .002 -.001 .002 |
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MnM2 .2554 .0194 .2281 .0184 .011 .009 .015 .007 .002 -.001 .002 |
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|
| Download AMC data (View Text File)
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| |
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Pigeonite |
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Nestola F, Tribaudino M, Ballaran T B |
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American Mineralogist 89 (2004) 189-196 |
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High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite |
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Sample: P = 0 GPa |
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_database_code_amcsd 0003197 |
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9.646 8.842 5.201 90 108.35 90 P2_1/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2 .2553 .0174 .2223 .85 1.7 .0210 .0196 .0174 .0043 -.0059 .0042 |
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CaM2 .2553 .0174 .2223 .15 1.7 .0210 .0196 .0174 .0043 -.0059 .0042 |
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MgM1 .2509 .6538 .2217 .71 |
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SiTA .0424 .3409 .2873 .62 |
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SiTB .5505 .8378 .2329 .65 |
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O1A .8671 .3394 .178 .78 |
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O2A .1207 .5016 .324 .79 |
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O3A .1067 .2738 .600 .80 |
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O1B .3739 .8398 .128 .79 |
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O2B .6307 .9852 .381 1.26 |
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O3B .6047 .7009 .467 1.03 |
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|
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|
| |
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Pigeonite |
|
Nestola F, Tribaudino M, Ballaran T B |
|
American Mineralogist 89 (2004) 189-196 |
|
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite |
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Sample: P = 2.6 GPa |
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_database_code_amcsd 0003198 |
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9.546 8.732 5.149 90 108.12 90 P2_1/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2 .2562 .0196 .2202 .85 1.1 .0117 .0192 .0110 .0062 .0053 .0040 |
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CaM2 .2562 .0196 .2202 .15 1.1 .0117 .0192 .0110 .0062 .0053 .0040 |
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MgM1 .2504 .6552 .2216 .75 |
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SiTA .0422 .3415 .2862 .66 |
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SiTB .5520 .8387 .2281 .72 |
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O1A .8656 .3394 .182 .79 |
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O2A .1206 .5034 .319 .7 |
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O3A .1054 .2748 .600 1.0 |
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O1B .3735 .8383 .1265 .8 |
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O2B .6293 .9861 .382 1.3 |
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O3B .6062 .6986 .458 .9 |
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|
| Download AMC data (View Text File)
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|
| |
|
Pigeonite |
|
Nestola F, Tribaudino M, Ballaran T B |
|
American Mineralogist 89 (2004) 189-196 |
|
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite |
|
Sample: P = 4.5 GPa |
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_database_code_amcsd 0003199 |
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9.523 8.700 5.136 90 107.80 90 P2_1/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2 .2562 .0204 .2179 .85 1.2 .0150 .0158 .0106 .0020 -.0012 .0052 |
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CaM2 .2562 .0204 .2179 .15 1.2 .0150 .0158 .0106 .0020 -.0012 .0052 |
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MgM1 .2514 .6559 .2192 .63 |
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SiTA .0416 .3424 .2866 .54 |
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SiTB .5516 .8381 .2289 .57 |
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O1A .865 .3401 .182 .79 |
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O2A .1194 .5051 .318 .63 |
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O3A .1076 .2756 .603 .87 |
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O1B .3752 .8389 .124 .71 |
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O2B .6321 .9871 .383 1.03 |
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O3B .6086 .6961 .455 .87 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pigeonite |
|
Nestola F, Tribaudino M, Ballaran T B |
|
American Mineralogist 89 (2004) 189-196 |
|
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite |
|
Sample: P = 6.2 GPa |
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_database_code_amcsd 0003200 |
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9.291 8.679 4.963 90 102.22 90 C2/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2 0 .2789 .25 .85 .8 .0093 .0147 .0073 0 .0017 0 |
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CaM2 0 .2789 .25 .15 .8 .0093 .0147 .0073 0 .0017 0 |
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MgM1 0 .9065 .25 .55 |
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SiT .2976 .0918 .2139 .49 |
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O1 .1214 .0905 .139 .63 |
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O2 .3764 .2391 .364 .83 |
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O3 .3546 .0562 .925 .69 |
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|
| Download AMC data (View Text File)
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|
| |
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Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
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American Mineralogist 90 (2005) 1816-1823 |
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Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
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Locality: Parana, Brazil |
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Sample: N.35, untreated |
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_database_code_amcsd 0003962 |
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9.7071 8.9435 5.2481 90 108.483 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255192 .017045 .228309 .1437 .010112 .011311 .007101 .000456 .000647 .001611 |
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FeM2A .255192 .017045 .228309 .6362 .010112 .011311 .007101 .000456 .000647 .001611 |
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CaM2A .255192 .017045 .228309 .0784 .010112 .011311 .007101 .000456 .000647 .001611 |
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MnM2A .255192 .017045 .228309 .0259 .010112 .011311 .007101 .000456 .000647 .001611 |
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NaM2A .255192 .017045 .228309 .0030 .010112 .011311 .007101 .000456 .000647 .001611 |
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CaM2B .254036 .049506 .249442 .1128 .011423 |
|
MgM1 .250490 .654727 .232121 .7764 .008018 .006763 .007727 .000121 .002449 .000458 |
|
Fe2+M1 .250490 .654727 .232121 .1960 .008018 .006763 .007727 .000121 .002449 .000458 |
|
Fe3+M1 .250490 .654727 .232121 .0147 .008018 .006763 .007727 .000121 .002449 .000458 |
|
TiM1 .250490 .654727 .232121 .0101 .008018 .006763 .007727 .000121 .002449 .000458 |
|
MnM1 .250490 .654727 .232121 .0027 .008018 .006763 .007727 .000121 .002449 .000458 |
|
SiA .042638 .340507 .275819 .006146 .006198 .009999 -.000581 .003367 -.000616 |
|
SiB .549269 .837496 .238663 .9840 .006599 .006249 .007780 -.001068 .002828 -.000944 |
|
AlB .549269 .837496 .238663 .0160 .006599 .006249 .007780 -.001068 .002828 -.000944 |
|
O1A .867633 .338142 .168299 .006561 .009023 .009713 .000532 .002613 .000062 |
|
O2A .121624 .499486 .332181 .012521 .008224 .013628 -.003275 .005907 -.001811 |
|
O3A .104270 .261080 .576279 .009289 .023267 .021057 .000787 .004399 .014429 |
|
O1B .373603 .836609 .134765 .007080 .009612 .009962 .000376 .002903 -.000022 |
|
O2B .628732 .987868 .372233 .014739 .011594 .021224 -.006085 .010302 -.007512 |
|
O3B .604937 .709499 .481649 .008494 .021313 .012807 .000717 .003991 .007685 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 10 min |
|
_database_code_amcsd 0003963 |
|
9.7093 8.9417 5.2479 90 108.507 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) |
|
MgM2A .255175 .016824 .228003 .1519 .009804 .010982 .006652 .000330 .000634 .001771 |
|
FeM2A .255175 .016824 .228003 .6279 .009804 .010982 .006652 .000330 .000634 .001771 |
|
CaM2A .255175 .016824 .228003 .0685 .009804 .010982 .006652 .000330 .000634 .001771 |
|
MnM2A .255175 .016824 .228003 .0256 .009804 .010982 .006652 .000330 .000634 .001771 |
|
NaM2A .255175 .016824 .228003 .0031 .009804 .010982 .006652 .000330 .000634 .001771 |
|
CaM2B .254366 .048966 .251399 .1230 .011947 |
|
MgM1 .250449 .654666 .232018 .7705 .007892 .006868 .007510 .000123 .002515 .000322 |
|
Fe2+M1 .250449 .654666 .232018 .2019 .007892 .006868 .007510 .000123 .002515 .000322 |
|
Fe3+M1 .250449 .654666 .232018 .0146 .007892 .006868 .007510 .000123 .002515 .000322 |
|
TiM1 .250449 .654666 .232018 .0102 .007892 .006868 .007510 .000123 .002515 .000322 |
|
MnM1 .250449 .654666 .232018 .0028 .007892 .006868 .007510 .000123 .002515 .000322 |
|
SiA .042724 .340569 .276099 .005954 .006368 .010041 -.000484 .003389 -.000737 |
|
SiB .549302 .837437 .238780 .9840 .006294 .006299 .007849 -.001011 .002728 -.000871 |
|
AlB .549302 .837437 .238780 .0160 .006294 .006299 .007849 -.001011 .002728 -.000871 |
|
O1A .867648 .338212 .168308 .006543 .009127 .009852 .000145 .002670 -.000147 |
|
O2A .121580 .499459 .332112 .012883 .008605 .013443 -.003279 .006090 -.001640 |
|
O3A .104147 .260814 .575613 .008351 .023596 .021535 .000707 .004262 .015074 |
|
O1B .373643 .836670 .134859 .007149 .009144 .010226 .000213 .003312 -.000106 |
|
O2B .628662 .987816 .372068 .014679 .011356 .021234 -.005953 .010112 -.007620 |
|
O3B .604880 .709521 .481878 .007746 .019677 .013302 .000738 .003369 .007742 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 20 min |
|
_database_code_amcsd 0003964 |
|
9.7057 8.9396 5.2453 90 108.478 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) |
|
MgM2A .255195 .016378 .227770 .1539 .009633 .010408 .006359 .000099 .000355 .001719 |
|
FeM2A .255195 .016378 .227770 .6259 .009633 .010408 .006359 .000099 .000355 .001719 |
|
CaM2A .255195 .016378 .227770 .0417 .009633 .010408 .006359 .000099 .000355 .001719 |
|
MnM2A .255195 .016378 .227770 .0259 .009633 .010408 .006359 .000099 .000355 .001719 |
|
NaM2A .255195 .016378 .227770 .0030 .009633 .010408 .006359 .000099 .000355 .001719 |
|
CaM2B .254515 .046766 .248789 .1496 .012800 |
|
MgM1 .250434 .654621 .232036 .7650 .007862 .007063 .007474 .000191 .002392 .000402 |
|
Fe2+M1 .250434 .654621 .232036 .2072 .007862 .007063 .007474 .000191 .002392 .000402 |
|
Fe3+M1 .250434 .654621 .232036 .0148 .007862 .007063 .007474 .000191 .002392 .000402 |
|
TiM1 .250434 .654621 .232036 .0101 .007862 .007063 .007474 .000191 .002392 .000402 |
|
MnM1 .250434 .654621 .232036 .0030 .007862 .007063 .007474 .000191 .002392 .000402 |
|
SiA .042741 .340553 .275997 .005922 .006463 .010119 -.000549 .003336 -.000667 |
|
SiB .549321 .837429 .238665 .9840 .006232 .006442 .007641 -.001078 .002677 -.000971 |
|
AlB .549321 .837429 .238665 .0160 .006232 .006442 .007641 -.001078 .002677 -.000971 |
|
O1A .867567 .338158 .168337 .006511 .009185 .009683 .000298 .002699 .000057 |
|
O2A .121531 .499429 .332093 .012442 .008799 .013176 -.003649 .006069 -.001310 |
|
O3A .104077 .261054 .576241 .008430 .023232 .020936 .000398 .004143 .013858 |
|
O1B .373598 .836571 .134869 .006819 .009626 .009984 .000187 .003004 -.000047 |
|
O2B .628675 .987776 .371983 .014459 .011626 .021699 -.006207 .010426 -.007520 |
|
O3B .604868 .709349 .481560 .007418 .019820 .013563 .000328 .003382 .007992 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 30 min |
|
_database_code_amcsd 0003965 |
|
9.7118 8.9442 5.2484 90 108.496 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) |
|
MgM2A .255178 .016731 .227992 .1551 .009961 .010658 .006542 .000424 .000539 .001749 |
|
FeM2A .255178 .016731 .227992 .6248 .009961 .010658 .006542 .000424 .000539 .001749 |
|
CaM2A .255178 .016731 .227992 .0647 .009961 .010658 .006542 .000424 .000539 .001749 |
|
MnM2A .255178 .016731 .227992 .0261 .009961 .010658 .006542 .000424 .000539 .001749 |
|
NaM2A .255178 .016731 .227992 .0029 .009961 .010658 .006542 .000424 .000539 .001749 |
|
CaM2B .254518 .048988 .249693 .1265 .011822 |
|
MgM1 .250455 .654629 .231946 .7613 .007900 .006743 .007402 .000044 .002435 .000374 |
|
Fe2+M1 .250455 .654629 .231946 .2107 .007900 .006743 .007402 .000044 .002435 .000374 |
|
Fe3+M1 .250455 .654629 .231946 .0149 .007900 .006743 .007402 .000044 .002435 .000374 |
|
TiM1 .250455 .654629 .231946 .0100 .007900 .006743 .007402 .000044 .002435 .000374 |
|
MnM1 .250455 .654629 .231946 .0030 .007900 .006743 .007402 .000044 .002435 .000374 |
|
SiA .042790 .340603 .276138 .005990 .006121 .010041 -.000501 .003395 -.000624 |
|
SiB .549378 .837484 .238604 .9840 .006307 .006105 .007522 -.001082 .002733 -.000976 |
|
AlB .549378 .837484 .238604 .0160 .006307 .006105 .007522 -.001082 .002733 -.000976 |
|
O1A .867607 .338152 .168397 .006136 .009434 .009516 .000266 .002695 -.000189 |
|
O2A .121617 .499487 .331951 .012329 .008561 .013115 -.003371 .006020 -.001490 |
|
O3A .104127 .261162 .575990 .008378 .021988 .020827 -.000004 .003555 .013592 |
|
O1B .373598 .836558 .134631 .006870 .009857 .009276 .000853 .003161 -.000025 |
|
O2B .628802 .987730 .372164 .013914 .012181 .020690 -.005909 .009799 -.007734 |
|
O3B .604690 .709516 .481112 .007572 .019643 .013321 .000531 .003398 .008103 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 50 min |
|
_database_code_amcsd 0003966 |
|
9.7114 8.9473 5.2513 90 108.475 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) |
|
MgM2A .255237 .016458 .227752 .1628 .009832 .010263 .006467 .000228 .000669 .001978 |
|
FeM2A .255237 .016458 .227752 .6172 .009832 .010263 .006467 .000228 .000669 .001978 |
|
CaM2A .255237 .016458 .227752 .0504 .009832 .010263 .006467 .000228 .000669 .001978 |
|
MnM2A .255237 .016458 .227752 .0256 .009832 .010263 .006467 .000228 .000669 .001978 |
|
NaM2A .255237 .016458 .227752 .0030 .009832 .010263 .006467 .000228 .000669 .001978 |
|
CaM2B .253810 .047303 .248865 .1409 .011389 |
|
MgM1 .250406 .654637 .231905 .7565 .007893 .006832 .007470 .000218 .002548 .000478 |
|
Fe2+M1 .250406 .654637 .231905 .2155 .007893 .006832 .007470 .000218 .002548 .000478 |
|
Fe3+M1 .250406 .654637 .231905 .0148 .007893 .006832 .007470 .000218 .002548 .000478 |
|
TiM1 .250406 .654637 .231905 .0101 .007893 .006832 .007470 .000218 .002548 .000478 |
|
MnM1 .250406 .654637 .231905 .0031 .007893 .006832 .007470 .000218 .002548 .000478 |
|
SiA .042738 .340550 .276215 .005950 .006317 .009821 -.000614 .003354 -.000574 |
|
SiB .549291 .837473 .238617 .9840 .006355 .006151 .007352 -.000987 .002710 -.000938 |
|
AlB .549291 .837473 .238617 .0160 .006355 .006151 .007352 -.000987 .002710 -.000938 |
|
O1A .867653 .338136 .168662 .006510 .009159 .009649 .000262 .002632 -.000044 |
|
O2A .121559 .499573 .332035 .013078 .007921 .014102 -.003259 .006603 -.001456 |
|
O3A .104157 .261208 .576601 .007971 .023237 .020596 .000275 .003929 .014404 |
|
O1B .373534 .836612 .134596 .007187 .009343 .009992 .000460 .002896 .000019 |
|
O2B .628802 .987827 .372569 .014486 .011598 .020944 -.005803 .010136 -.007057 |
|
O3B .604852 .709118 .481534 .007324 .020455 .012805 .000268 .003094 .007788 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 90 min |
|
_database_code_amcsd 0003967 |
|
9.7087 8.9405 5.2468 90 108.496 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) |
|
MgM2A .255218 .016478 .227696 .1723 .009708 .010333 .006363 .000283 .000529 .001827 |
|
FeM2A .255218 .016478 .227696 .6079 .009708 .010333 .006363 .000283 .000529 .001827 |
|
CaM2A .255218 .016478 .227696 .0520 .009708 .010333 .006363 .000283 .000529 .001827 |
|
MnM2A .255218 .016478 .227696 .0255 .009708 .010333 .006363 .000283 .000529 .001827 |
|
NaM2A .255218 .016478 .227696 .0030 .009708 .010333 .006363 .000283 .000529 .001827 |
|
CaM2B .254562 .047268 .248565 .1393 .011757 |
|
MgM1 .250428 .654596 .231772 .7477 .007858 .006802 .007508 .000155 .002528 .000453 |
|
Fe2+M1 .250428 .654596 .231772 .2243 .007858 .006802 .007508 .000155 .002528 .000453 |
|
Fe3+M1 .250428 .654596 .231772 .0147 .007858 .006802 .007508 .000155 .002528 .000453 |
|
TiM1 .250428 .654596 .231772 .0101 .007858 .006802 .007508 .000155 .002528 .000453 |
|
MnM1 .250428 .654596 .231772 .0032 .007858 .006802 .007508 .000155 .002528 .000453 |
|
SiA .042762 .340538 .276342 .005816 .006265 .009845 -.000562 .003324 -.000636 |
|
SiB .549342 .837438 .238697 .9840 .006371 .006137 .007362 -.001128 .002787 -.001044 |
|
AlB .549342 .837438 .238697 .0160 .006371 .006137 .007362 -.001128 .002787 -.001044 |
|
O1A .867667 .338264 .168694 .006401 .009375 .009084 .000371 .002511 -.000162 |
|
O2A .121428 .499568 .331890 .012573 .008123 .013352 -.003330 .005940 -.001799 |
|
O3A .104213 .261526 .576927 .008314 .022677 .020132 .000318 .003881 .013539 |
|
O1B .373637 .836677 .134863 .006829 .009743 .009696 .000180 .003122 -.000181 |
|
O2B .628726 .987748 .372520 .014526 .011821 .021272 -.006052 .010539 -.007734 |
|
O3B .604810 .709253 .481418 .007234 .020666 .012855 .000537 .003072 .007765 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 180 min |
|
_database_code_amcsd 0003968 |
|
9.7104 8.9417 5.2476 90 108.479 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) |
|
MgM2A .255249 .016692 .227866 .1747 .009799 .011062 .006727 .000315 .000542 .001828 |
|
FeM2A .255249 .016692 .227866 .6061 .009799 .011062 .006727 .000315 .000542 .001828 |
|
CaM2A .255249 .016692 .227866 .0649 .009799 .011062 .006727 .000315 .000542 .001828 |
|
MnM2A .255249 .016692 .227866 .0255 .009799 .011062 .006727 .000315 .000542 .001828 |
|
NaM2A .255249 .016692 .227866 .0030 .009799 .011062 .006727 .000315 .000542 .001828 |
|
CaM2B .254329 .048960 .250055 .1258 .011687 |
|
MgM1 .250422 .654596 .231771 .7422 .007884 .007029 .007589 .000109 .002520 .000387 |
|
Fe2+M1 .250422 .654596 .231771 .2294 .007884 .007029 .007589 .000109 .002520 .000387 |
|
Fe3+M1 .250422 .654596 .231771 .0151 .007884 .007029 .007589 .000109 .002520 .000387 |
|
TiM1 .250422 .654596 .231771 .0100 .007884 .007029 .007589 .000109 .002520 .000387 |
|
MnM1 .250422 .654596 .231771 .0033 .007884 .007029 .007589 .000109 .002520 .000387 |
|
SiA .042746 .340562 .276437 .005960 .006456 .009956 -.000531 .003367 -.000616 |
|
SiB .549357 .837462 .238645 .9840 .006297 .006404 .007609 -.001043 .002785 -.000919 |
|
AlB .549357 .837462 .238645 .0160 .006297 .006404 .007609 -.001043 .002785 -.000919 |
|
O1A .867667 .338266 .168693 .006293 .009690 .009530 .000169 .002598 -.000121 |
|
O2A .121643 .499462 .332212 .012349 .008383 .013377 -.003436 .005939 -.001524 |
|
O3A .104209 .261339 .576959 .008991 .022984 .020842 .000175 .004324 .014267 |
|
O1B .373565 .836737 .134946 .006686 .010016 .009752 .000308 .002934 -.000155 |
|
O2B .628868 .987549 .372735 .014488 .012129 .020540 -.006129 .009888 -.007374 |
|
O3B .604797 .709114 .480957 .007608 .020099 .013260 .000545 .003315 .007769 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 300 min |
|
_database_code_amcsd 0003969 |
|
9.7120 8.9434 5.2492 90 108.479 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) |
|
MgM2A .255246 .016737 .227822 .1764 .009655 .010884 .006616 .000504 .000551 .001822 |
|
FeM2A .255246 .016737 .227822 .6041 .009655 .010884 .006616 .000504 .000551 .001822 |
|
CaM2A .255246 .016737 .227822 .0648 .009655 .010884 .006616 .000504 .000551 .001822 |
|
MnM2A .255246 .016737 .227822 .0255 .009655 .010884 .006616 .000504 .000551 .001822 |
|
NaM2A .255246 .016737 .227822 .0030 .009655 .010884 .006616 .000504 .000551 .001822 |
|
CaM2B .254252 .048788 .249332 .1261 .012530 |
|
MgM1 .250400 .654595 .231763 .7409 .007802 .006714 .007586 .000116 .002519 .000437 |
|
Fe2+M1 .250400 .654595 .231763 .2307 .007802 .006714 .007586 .000116 .002519 .000437 |
|
Fe3+M1 .250400 .654595 .231763 .0150 .007802 .006714 .007586 .000116 .002519 .000437 |
|
TiM1 .250400 .654595 .231763 .0100 .007802 .006714 .007586 .000116 .002519 .000437 |
|
MnM1 .250400 .654595 .231763 .0034 .007802 .006714 .007586 .000116 .002519 .000437 |
|
SiA .042799 .340555 .276478 .005848 .006358 .009848 -.000585 .003459 -.000675 |
|
SiB .549339 .837435 .238611 .9840 .006265 .006257 .007571 -.001127 .002834 -.001079 |
|
AlB .549339 .837435 .238611 .0160 .006265 .006257 .007571 -.001127 .002834 -.001079 |
|
O1A .867640 .338338 .168987 .006492 .009428 .009489 .000501 .002779 .000099 |
|
O2A .121609 .499437 .332027 .012699 .008401 .013336 -.003375 .006551 -.001534 |
|
O3A .104203 .261567 .577308 .008604 .022278 .020530 .000670 .003972 .013345 |
|
O1B .373585 .836742 .135055 .006845 .009799 .009685 .000519 .003137 -.000020 |
|
O2B .628848 .987704 .372461 .014272 .011683 .021332 -.005924 .010477 -.007316 |
|
O3B .604845 .709141 .481014 .007354 .020400 .013417 .000560 .003278 .007870 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 600 min |
|
_database_code_amcsd 0003970 |
|
9.7132 8.9469 5.2500 90 108.484 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) |
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MgM2A .255246 .016629 .227672 .1750 .009791 .010907 .006719 .000379 .000628 .001970 |
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FeM2A .255246 .016629 .227672 .6051 .009791 .010907 .006719 .000379 .000628 .001970 |
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CaM2A .255246 .016629 .227672 .0599 .009791 .010907 .006719 .000379 .000628 .001970 |
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MnM2A .255246 .016629 .227672 .0255 .009791 .010907 .006719 .000379 .000628 .001970 |
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NaM2A .255246 .016629 .227672 .0030 .009791 .010907 .006719 .000379 .000628 .001970 |
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CaM2B .254291 .048103 .250414 .1314 .012696 |
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MgM1 .250428 .654582 .231734 .7435 .007591 .006704 .007556 .000036 .002498 .000301 |
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Fe2+M1 .250428 .654582 .231734 .2283 .007591 .006704 .007556 .000036 .002498 .000301 |
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Fe3+M1 .250428 .654582 .231734 .0148 .007591 .006704 .007556 .000036 .002498 .000301 |
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TiM1 .250428 .654582 .231734 .0101 .007591 .006704 .007556 .000036 .002498 .000301 |
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MnM1 .250428 .654582 .231734 .0033 .007591 .006704 .007556 .000036 .002498 .000301 |
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SiA .042757 .340551 .276543 .005864 .006267 .010062 -.000568 .003261 -.000721 |
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SiB .549410 .837400 .238606 .9840 .006155 .006282 .007724 -.001111 .002557 -.000977 |
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AlB .549410 .837400 .238606 .0160 .006155 .006282 .007724 -.001111 .002557 -.000977 |
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O1A .867749 .338298 .168910 .006141 .009499 .009864 .000130 .002477 -.000191 |
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O2A .121573 .499395 .331973 .012475 .008450 .013546 -.003280 .006044 -.001391 |
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O3A .104248 .261293 .576855 .007737 .022722 .021223 .000510 .004022 .013731 |
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O1B .373811 .836743 .134997 .006923 .009367 .010093 .000346 .002885 .000057 |
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O2B .628683 .987534 .372746 .014223 .011263 .021445 -.005741 .009830 -.007605 |
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O3B .604712 .709018 .481196 .007526 .019375 .013240 .000665 .003244 .007552 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 700 C for t = 1000 min |
|
_database_code_amcsd 0003971 |
|
9.7096 8.9421 5.2464 90 108.476 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255246 .016535 .227706 .1769 .009881 .010860 .006728 .000389 .000657 .001834 |
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FeM2A .255246 .016535 .227706 .6035 .009881 .010860 .006728 .000389 .000657 .001834 |
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CaM2A .255246 .016535 .227706 .0616 .009881 .010860 .006728 .000389 .000657 .001834 |
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MnM2A .255246 .016535 .227706 .0256 .009881 .010860 .006728 .000389 .000657 .001834 |
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NaM2A .255246 .016535 .227706 .0030 .009881 .010860 .006728 .000389 .000657 .001834 |
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CaM2B .254276 .048296 .248469 .1294 .011217 |
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MgM1 .250406 .654596 .231746 .7402 .007746 .006860 .007583 .000090 .002480 .000311 |
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Fe2+M1 .250406 .654596 .231746 .2314 .007746 .006860 .007583 .000090 .002480 .000311 |
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Fe3+M1 .250406 .654596 .231746 .0150 .007746 .006860 .007583 .000090 .002480 .000311 |
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TiM1 .250406 .654596 .231746 .0100 .007746 .006860 .007583 .000090 .002480 .000311 |
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MnM1 .250406 .654596 .231746 .0034 .007746 .006860 .007583 .000090 .002480 .000311 |
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SiA .042802 .340553 .276509 .005734 .006484 .009946 -.000551 .003330 -.000624 |
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SiB .549416 .837410 .238584 .9840 .006182 .006322 .007584 -.001129 .002679 -.000970 |
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AlB .549416 .837410 .238584 .0160 .006182 .006322 .007584 -.001129 .002679 -.000970 |
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O1A .867648 .338300 .168847 .006029 .009377 .009442 .000334 .002463 .000063 |
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O2A .121596 .499616 .332059 .012632 .008385 .013071 -.003162 .006160 -.001322 |
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O3A .104169 .261434 .576720 .008638 .023313 .020832 .000541 .004206 .014241 |
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O1B .373639 .836709 .134962 .006738 .009749 .009928 .000549 .003030 -.000112 |
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O2B .628751 .987649 .372776 .014377 .011532 .021460 -.006043 .010293 -.007732 |
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O3B .604701 .709058 .481019 .007732 .019716 .013241 .000584 .003665 .007698 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 1.5 min |
|
_database_code_amcsd 0003972 |
|
9.7069 8.9427 5.2470 90 108.458 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255357 .016119 .227250 .1816 .009651 .009621 .005785 .000100 .000487 .002122 |
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FeM2A .255357 .016119 .227250 .5984 .009651 .009621 .005785 .000100 .000487 .002122 |
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CaM2A .255357 .016119 .227250 .0212 .009651 .009621 .005785 .000100 .000487 .002122 |
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MnM2A .255357 .016119 .227250 .0254 .009651 .009621 .005785 .000100 .000487 .002122 |
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NaM2A .255357 .016119 .227250 .0030 .009651 .009621 .005785 .000100 .000487 .002122 |
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CaM2B .253789 .045020 .247902 .1703 .013910 |
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MgM1 .250411 .654514 .231656 .7374 .008006 .006593 .007304 .000143 .002573 .000412 |
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Fe2+M1 .250411 .654514 .231656 .2344 .008006 .006593 .007304 .000143 .002573 .000412 |
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Fe3+M1 .250411 .654514 .231656 .0146 .008006 .006593 .007304 .000143 .002573 .000412 |
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TiM1 .250411 .654514 .231656 .0101 .008006 .006593 .007304 .000143 .002573 .000412 |
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MnM1 .250411 .654514 .231656 .0034 .008006 .006593 .007304 .000143 .002573 .000412 |
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SiA .042720 .340577 .276584 .005822 .006021 .009676 -.000530 .003251 -.000553 |
|
SiB .549353 .837462 .238594 .9840 .006230 .006036 .007511 -.001044 .002723 -.000962 |
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AlB .549353 .837462 .238594 .0160 .006230 .006036 .007511 -.001044 .002723 -.000962 |
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O1A .867621 .338277 .168936 .006500 .009321 .009317 .000444 .002711 -.000098 |
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O2A .121657 .499355 .331851 .012517 .008507 .012971 -.003232 .006001 -.001615 |
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O3A .104283 .261634 .577003 .009026 .021681 .020183 .000826 .004325 .013801 |
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O1B .373618 .836831 .134932 .007035 .010037 .009367 .000562 .003075 -.000015 |
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O2B .628960 .987386 .372728 .014403 .012008 .020921 -.005888 .010055 -.007763 |
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O3B .604900 .709593 .481671 .008141 .019371 .012865 .000731 .003453 .007678 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 3.5 min |
|
_database_code_amcsd 0003973 |
|
9.7088 8.9429 5.2473 90 108.471 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255280 .017044 .227912 .1833 .009987 .011863 .006816 .000528 .000698 .001816 |
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FeM2A .255280 .017044 .227912 .5972 .009987 .011863 .006816 .000528 .000698 .001816 |
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CaM2A .255280 .017044 .227912 .0863 .009987 .011863 .006816 .000528 .000698 .001816 |
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MnM2A .255280 .017044 .227912 .0255 .009987 .011863 .006816 .000528 .000698 .001816 |
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NaM2A .255280 .017044 .227912 .0029 .009987 .011863 .006816 .000528 .000698 .001816 |
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CaM2B .254272 .050619 .252196 .1047 .011567 |
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MgM1 .250410 .654589 .231630 .7330 .007829 .007050 .007552 .000137 .002525 .000420 |
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Fe2+M1 .250410 .654589 .231630 .2385 .007829 .007050 .007552 .000137 .002525 .000420 |
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Fe3+M1 .250410 .654589 .231630 .0150 .007829 .007050 .007552 .000137 .002525 .000420 |
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TiM1 .250410 .654589 .231630 .0100 .007829 .007050 .007552 .000137 .002525 .000420 |
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MnM1 .250410 .654589 .231630 .0035 .007829 .007050 .007552 .000137 .002525 .000420 |
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SiA .042771 .340530 .276582 .005983 .006446 .009869 -.000556 .003440 -.000599 |
|
SiB .549408 .837444 .238616 .9840 .006267 .006385 .007583 -.001024 .002807 -.000935 |
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AlB .549408 .837444 .238616 .0160 .006267 .006385 .007583 -.001024 .002807 -.000935 |
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O1A .867629 .338328 .169180 .006583 .009559 .009629 .000355 .002822 -.000282 |
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O2A .121642 .499443 .331902 .012494 .008765 .013243 -.003542 .006115 -.001064 |
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O3A .104192 .261785 .577541 .008298 .022988 .021030 .000732 .004276 .014241 |
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O1B .373700 .836787 .135255 .006841 .009781 .010019 .000436 .003251 -.000149 |
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O2B .628891 .987560 .372624 .014588 .012100 .020939 -.006153 .010110 -.007526 |
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O3B .604855 .709016 .480985 .007579 .020621 .012796 .000658 .003367 .008005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 6 min |
|
_database_code_amcsd 0003974 |
|
9.7094 8.9457 5.2478 90 108.468 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) |
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MgM2A .255312 .016641 .227667 .1854 .009904 .011010 .006618 .000329 .000592 .001985 |
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FeM2A .255312 .016641 .227667 .5952 .009904 .011010 .006618 .000329 .000592 .001985 |
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CaM2A .255312 .016641 .227667 .0630 .009904 .011010 .006618 .000329 .000592 .001985 |
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MnM2A .255312 .016641 .227667 .0256 .009904 .011010 .006618 .000329 .000592 .001985 |
|
NaM2A .255312 .016641 .227667 .0029 .009904 .011010 .006618 .000329 .000592 .001985 |
|
CaM2B .253923 .048016 .249295 .1279 .011915 |
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MgM1 .250425 .654603 .231579 .7296 .007825 .006789 .007520 .000168 .002565 .000405 |
|
Fe2+M1 .250425 .654603 .231579 .2418 .007825 .006789 .007520 .000168 .002565 .000405 |
|
Fe3+M1 .250425 .654603 .231579 .0150 .007825 .006789 .007520 .000168 .002565 .000405 |
|
TiM1 .250425 .654603 .231579 .0100 .007825 .006789 .007520 .000168 .002565 .000405 |
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MnM1 .250425 .654603 .231579 .0036 .007825 .006789 .007520 .000168 .002565 .000405 |
|
SiA .042758 .340573 .276767 .005906 .006228 .010062 -.000616 .003522 -.000601 |
|
SiB .549370 .837427 .238628 .9840 .006201 .006264 .007536 -.000958 .002797 -.000938 |
|
AlB .549370 .837427 .238628 .0160 .006201 .006264 .007536 -.000958 .002797 -.000938 |
|
O1A .867617 .338425 .169183 .006569 .009391 .009453 .000264 .002723 -.000229 |
|
O2A .121639 .499361 .331979 .012925 .008422 .013534 -.003299 .006200 -.001284 |
|
O3A .104130 .261683 .577197 .008475 .022989 .020463 .000556 .004295 .014033 |
|
O1B .373589 .836780 .134829 .006558 .010320 .009512 .000345 .002769 -.000050 |
|
O2B .628991 .987392 .372964 .014473 .011796 .021076 -.006279 .009897 -.007631 |
|
O3B .604643 .709219 .480969 .007712 .020131 .012885 .000563 .003560 .007748 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 10 min |
|
_database_code_amcsd 0003975 |
|
9.7113 8.9455 5.2504 90 108.478 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) |
|
MgM2A .255273 .016803 .227659 .1940 .009749 .011409 .006594 .000368 .000639 .001878 |
|
FeM2A .255273 .016803 .227659 .5868 .009749 .011409 .006594 .000368 .000639 .001878 |
|
CaM2A .255273 .016803 .227659 .0691 .009749 .011409 .006594 .000368 .000639 .001878 |
|
MnM2A .255273 .016803 .227659 .0252 .009749 .011409 .006594 .000368 .000639 .001878 |
|
NaM2A .255273 .016803 .227659 .0030 .009749 .011409 .006594 .000368 .000639 .001878 |
|
CaM2B .254427 .049023 .251648 .1218 .013163 |
|
MgM1 .250421 .654547 .231553 .7236 .007633 .007059 .007765 .000153 .002499 .000409 |
|
Fe2+M1 .250421 .654547 .231553 .2478 .007633 .007059 .007765 .000153 .002499 .000409 |
|
Fe3+M1 .250421 .654547 .231553 .0149 .007633 .007059 .007765 .000153 .002499 .000409 |
|
TiM1 .250421 .654547 .231553 .0100 .007633 .007059 .007765 .000153 .002499 .000409 |
|
MnM1 .250421 .654547 .231553 .0037 .007633 .007059 .007765 .000153 .002499 .000409 |
|
SiA .042728 .340529 .276842 .005722 .006601 .010163 -.000514 .003451 -.000669 |
|
SiB .549408 .837441 .238590 .9840 .006185 .006540 .007807 -.001055 .002770 -.000937 |
|
AlB .549408 .837441 .238590 .0160 .006185 .006540 .007807 -.001055 .002770 -.000937 |
|
O1A .867691 .338397 .168973 .006260 .010069 .009779 .000096 .002806 -.000037 |
|
O2A .121696 .499345 .331982 .012183 .008837 .013414 -.003333 .005964 -.001160 |
|
O3A .104148 .261970 .577441 .008445 .021896 .020595 .000713 .004436 .013716 |
|
O1B .373681 .836801 .134681 .006936 .010533 .009855 .000665 .003311 .000131 |
|
O2B .629029 .987404 .373158 .014233 .012389 .021237 -.006056 .010025 -.007529 |
|
O3B .604749 .709205 .481128 .007195 .020652 .013052 .000171 .003281 .007756 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.35, annealed at T = 800 C for t = 18 min |
|
_database_code_amcsd 0003976 |
|
9.7134 8.9482 5.2485 90 108.463 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) |
|
MgM2A .255318 .016718 .227655 .1967 .010215 .011390 .007019 .000503 .000847 .001955 |
|
FeM2A .255318 .016718 .227655 .5843 .010215 .011390 .007019 .000503 .000847 .001955 |
|
CaM2A .255318 .016718 .227655 .0687 .010215 .011390 .007019 .000503 .000847 .001955 |
|
MnM2A .255318 .016718 .227655 .0253 .010215 .011390 .007019 .000503 .000847 .001955 |
|
NaM2A .255318 .016718 .227655 .0029 .010215 .011390 .007019 .000503 .000847 .001955 |
|
CaM2B .254205 .048504 .249535 .1221 .012509 |
|
MgM1 .250432 .654512 .231510 .7194 .008103 .007041 .007952 .000132 .002797 .000337 |
|
Fe2+M1 .250432 .654512 .231510 .2518 .008103 .007041 .007952 .000132 .002797 .000337 |
|
Fe3+M1 .250432 .654512 .231510 .0149 .008103 .007041 .007952 .000132 .002797 .000337 |
|
TiM1 .250432 .654512 .231510 .0100 .008103 .007041 .007952 .000132 .002797 .000337 |
|
MnM1 .250432 .654512 .231510 .0038 .008103 .007041 .007952 .000132 .002797 .000337 |
|
SiA .042812 .340504 .276914 .006148 .006390 .010133 -.000593 .003617 -.000705 |
|
SiB .549439 .837435 .238634 .9840 .006511 .006434 .007668 -.001058 .002949 -.000937 |
|
AlB .549439 .837435 .238634 .0160 .006511 .006434 .007668 -.001058 .002949 -.000937 |
|
O1A .867736 .338408 .169294 .006634 .009789 .009514 .000122 .002695 -.000193 |
|
O2A .121657 .499294 .331931 .012565 .008626 .013337 -.003507 .005779 -.001453 |
|
O3A .104055 .262089 .577934 .008809 .022918 .021238 .000864 .004840 .013806 |
|
O1B .373798 .836847 .135065 .007306 .010080 .009768 .000424 .003204 .000065 |
|
O2B .628907 .987307 .373193 .015064 .012254 .021388 -.006425 .010378 -.007748 |
|
O3B .604801 .708909 .480541 .008113 .021057 .012654 .000679 .003626 .007938 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 800 C for t = 60 min |
|
_database_code_amcsd 0003977 |
|
9.7075 8.9444 5.2461 90 108.485 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) |
|
MgM2A .255404 .016822 .227525 .1994 .010191 .011673 .007229 .000561 .000695 .001940 |
|
FeM2A .255404 .016822 .227525 .5817 .010191 .011673 .007229 .000561 .000695 .001940 |
|
CaM2A .255404 .016822 .227525 .0870 .010191 .011673 .007229 .000561 .000695 .001940 |
|
MnM2A .255404 .016822 .227525 .0249 .010191 .011673 .007229 .000561 .000695 .001940 |
|
NaM2A .255404 .016822 .227525 .0030 .010191 .011673 .007229 .000561 .000695 .001940 |
|
CaM2B .254217 .049436 .249829 .1039 .010248 |
|
MgM1 .250461 .654532 .231116 .7206 .007711 .007171 .007672 .000138 .002449 .000416 |
|
Fe2+M1 .250461 .654532 .231116 .2508 .007711 .007171 .007672 .000138 .002449 .000416 |
|
Fe3+M1 .250461 .654532 .231116 .0148 .007711 .007171 .007672 .000138 .002449 .000416 |
|
TiM1 .250461 .654532 .231116 .0101 .007711 .007171 .007672 .000138 .002449 .000416 |
|
MnM1 .250461 .654532 .231116 .0037 .007711 .007171 .007672 .000138 .002449 .000416 |
|
SiA .042818 .340477 .277474 .006000 .006455 .009961 -.000582 .003340 -.000670 |
|
SiB .549609 .837378 .238426 .9840 .006197 .006376 .007886 -.001021 .002750 -.000978 |
|
AlB .549609 .837378 .238426 .0160 .006197 .006376 .007886 -.001021 .002750 -.000978 |
|
O1A .867503 .338360 .169860 .006708 .009564 .009657 .000132 .002669 -.000012 |
|
O2A .121842 .499339 .331473 .012862 .008471 .012819 -.003394 .006258 -.001528 |
|
O3A .103949 .262512 .579004 .008784 .022109 .019553 .000791 .003945 .012611 |
|
O1B .373643 .836806 .134674 .006869 .010265 .010029 .000351 .003221 -.000087 |
|
O2B .629215 .987161 .373353 .014737 .011807 .021016 -.006304 .010286 -.007607 |
|
O3B .604789 .708736 .480196 .008019 .019792 .013110 .000232 .002839 .007491 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, untreated |
|
_database_code_amcsd 0003978 |
|
9.7060 8.9400 5.2460 90 108.504 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) |
|
MgM2A .255365 .016605 .227587 .1420 .009927 .010615 .006656 .000291 .000759 .001979 |
|
FeM2A .255365 .016605 .227587 .6379 .009927 .010615 .006656 .000291 .000759 .001979 |
|
CaM2A .255365 .016605 .227587 .0542 .009927 .010615 .006656 .000291 .000759 .001979 |
|
MnM2A .255365 .016605 .227587 .0260 .009927 .010615 .006656 .000291 .000759 .001979 |
|
NaM2A .255365 .016605 .227587 .0030 .009927 .010615 .006656 .000291 .000759 .001979 |
|
CaM2B .253447 .046314 .249257 .1369 .013235 |
|
MgM1 .250414 .654659 .231720 .7772 .008103 .006947 .007671 .000188 .002591 .000414 |
|
Fe2+M1 .250414 .654659 .231720 .1952 .008103 .006947 .007671 .000188 .002591 .000414 |
|
Fe3+M1 .250414 .654659 .231720 .0148 .008103 .006947 .007671 .000188 .002591 .000414 |
|
TiM1 .250414 .654659 .231720 .0101 .008103 .006947 .007671 .000188 .002591 .000414 |
|
MnM1 .250414 .654659 .231720 .0027 .008103 .006947 .007671 .000188 .002591 .000414 |
|
SiA .042736 .340543 .276460 .006109 .006416 .009758 -.000504 .003425 -.000622 |
|
SiB .549431 .837380 .238556 .9840 .006400 .006352 .007687 -.001007 .002819 -.000864 |
|
AlB .549431 .837380 .238556 .0160 .006400 .006352 .007687 -.001007 .002819 -.000864 |
|
O1A .867507 .338111 .168478 .006619 .009221 .009472 .000054 .002614 -.000108 |
|
O2A .121595 .499631 .331923 .012645 .008615 .013097 -.003420 .006371 -.001585 |
|
O3A .104176 .261212 .577016 .008638 .021678 .020693 .000553 .004276 .013372 |
|
O1B .373604 .836508 .134486 .007077 .009518 .009848 .000319 .002960 -.000066 |
|
O2B .628803 .987734 .372269 .014541 .011853 .020018 -.005924 .010184 -.007125 |
|
O3B .604947 .709248 .481184 .007931 .019193 .013421 .000503 .003081 .007875 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 80 min |
|
_database_code_amcsd 0003979 |
|
9.7096 8.9413 5.2473 90 108.515 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) |
|
MgM2A .255193 .016975 .228494 .1463 .009691 .010873 .007715 .000238 .000459 .001766 |
|
FeM2A .255193 .016975 .228494 .6341 .009691 .010873 .007715 .000238 .000459 .001766 |
|
CaM2A .255193 .016975 .228494 .0678 .009691 .010873 .007715 .000238 .000459 .001766 |
|
MnM2A .255193 .016975 .228494 .0262 .009691 .010873 .007715 .000238 .000459 .001766 |
|
NaM2A .255193 .016975 .228494 .0029 .009691 .010873 .007715 .000238 .000459 .001766 |
|
CaM2B .253245 .048697 .251796 .1227 .014538 |
|
MgM1 .250465 .654681 .232393 .7688 .007855 .006868 .008766 .000158 .002628 .000406 |
|
Fe2+M1 .250465 .654681 .232393 .2033 .007855 .006868 .008766 .000158 .002628 .000406 |
|
Fe3+M1 .250465 .654681 .232393 .0150 .007855 .006868 .008766 .000158 .002628 .000406 |
|
TiM1 .250465 .654681 .232393 .0100 .007855 .006868 .008766 .000158 .002628 .000406 |
|
MnM1 .250465 .654681 .232393 .0029 .007855 .006868 .008766 .000158 .002628 .000406 |
|
SiA .042761 .340479 .275771 .006089 .005952 .010868 -.000540 .003430 -.000516 |
|
SiB .549368 .837519 .239149 .9840 .006394 .006074 .008631 -.000990 .002783 -.000936 |
|
AlB .549368 .837519 .239149 .0160 .006394 .006074 .008631 -.000990 .002783 -.000936 |
|
O1A .867619 .338101 .167933 .006764 .008768 .010073 .000290 .002410 -.000013 |
|
O2A .121747 .499321 .332704 .012277 .007897 .014848 -.002828 .006316 -.001874 |
|
O3A .104237 .261289 .576788 .009362 .023568 .021167 .000692 .004426 .014420 |
|
O1B .373586 .836583 .135285 .006691 .009531 .010922 .000396 .003193 .000256 |
|
O2B .628873 .987860 .372183 .014925 .011537 .021583 -.005813 .010988 -.007733 |
|
O3B .604905 .709339 .480990 .008298 .020959 .014406 .000981 .003967 .008500 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 120 min |
|
_database_code_amcsd 0003980 |
|
9.7084 8.9414 5.2476 90 108.505 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) |
|
MgM2A .255253 .016692 .228060 .1484 .009742 .010386 .007324 .000120 .000639 .001842 |
|
FeM2A .255253 .016692 .228060 .6316 .009742 .010386 .007324 .000120 .000639 .001842 |
|
CaM2A .255253 .016692 .228060 .0475 .009742 .010386 .007324 .000120 .000639 .001842 |
|
MnM2A .255253 .016692 .228060 .0261 .009742 .010386 .007324 .000120 .000639 .001842 |
|
NaM2A .255253 .016692 .228060 .0029 .009742 .010386 .007324 .000120 .000639 .001842 |
|
CaM2B .253402 .046406 .250863 .1434 .015519 |
|
MgM1 .250474 .654678 .232178 .7679 .008028 .006644 .008651 .000138 .002775 .000406 |
|
Fe2+M1 .250474 .654678 .232178 .2043 .008028 .006644 .008651 .000138 .002775 .000406 |
|
Fe3+M1 .250474 .654678 .232178 .0149 .008028 .006644 .008651 .000138 .002775 .000406 |
|
TiM1 .250474 .654678 .232178 .0100 .008028 .006644 .008651 .000138 .002775 .000406 |
|
MnM1 .250474 .654678 .232178 .0029 .008028 .006644 .008651 .000138 .002775 .000406 |
|
SiA .042739 .340483 .275944 .006271 .005976 .010506 -.000467 .003419 -.000606 |
|
SiB .549405 .837506 .239038 .9840 .006532 .005922 .008511 -.001018 .002879 -.000960 |
|
AlB .549405 .837506 .239038 .0160 .006532 .005922 .008511 -.001018 .002879 -.000960 |
|
O1A .867623 .338072 .168394 .006945 .008870 .010343 .000552 .002561 .000061 |
|
O2A .121796 .499456 .332257 .012463 .007706 .015098 -.003095 .006431 -.001860 |
|
O3A .104273 .261443 .577367 .009529 .023048 .021750 .000771 .004716 .014694 |
|
O1B .373641 .836556 .135162 .006955 .009545 .010658 .000662 .003365 .000231 |
|
O2B .628838 .987875 .372137 .014697 .011472 .021551 -.005798 .010660 -.007682 |
|
O3B .604938 .709177 .481186 .008496 .020463 .014511 .000443 .004128 .007844 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 240 min |
|
_database_code_amcsd 0003981 |
|
9.7086 8.9421 5.2473 90 108.503 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) |
|
MgM2A .255305 .016890 .227899 .1537 .009718 .011363 .006924 .000380 .000717 .001736 |
|
FeM2A .255305 .016890 .227899 .6267 .009718 .011363 .006924 .000380 .000717 .001736 |
|
CaM2A .255305 .016890 .227899 .0774 .009718 .011363 .006924 .000380 .000717 .001736 |
|
MnM2A .255305 .016890 .227899 .0258 .009718 .011363 .006924 .000380 .000717 .001736 |
|
NaM2A .255305 .016890 .227899 .0030 .009718 .011363 .006924 .000380 .000717 .001736 |
|
CaM2B .254254 .050202 .250248 .1133 .011704 |
|
MgM1 .250461 .654632 .231609 .7647 .007675 .007194 .007838 .000095 .002625 .000328 |
|
Fe2+M1 .250461 .654632 .231609 .2074 .007675 .007194 .007838 .000095 .002625 .000328 |
|
Fe3+M1 .250461 .654632 .231609 .0148 .007675 .007194 .007838 .000095 .002625 .000328 |
|
TiM1 .250461 .654632 .231609 .0101 .007675 .007194 .007838 .000095 .002625 .000328 |
|
MnM1 .250461 .654632 .231609 .0029 .007675 .007194 .007838 .000095 .002625 .000328 |
|
SiA .042718 .340542 .276645 .005841 .006635 .009774 -.000508 .003413 -.000646 |
|
SiB .549430 .837459 .238439 .9840 .006168 .006558 .007756 -.000985 .002808 -.000876 |
|
AlB .549430 .837459 .238439 .0160 .006168 .006558 .007756 -.000985 .002808 -.000876 |
|
O1A .867550 .338125 .168674 .006517 .009713 .009685 .000315 .002815 -.000242 |
|
O2A .121644 .499373 .331955 .012152 .008849 .013529 -.003174 .006261 -.001413 |
|
O3A .104077 .261626 .577597 .008705 .022937 .020056 .000704 .004239 .013726 |
|
O1B .373622 .836601 .134632 .006664 .010314 .009731 .000462 .003133 -.000133 |
|
O2B .628993 .987466 .372854 .013985 .011766 .021253 -.005932 .009845 -.007153 |
|
O3B .604874 .709021 .480717 .007487 .020526 .013116 .000661 .003153 .007827 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 360 min |
|
_database_code_amcsd 0003982 |
|
9.7074 8.9415 5.2468 90 108.485 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) |
|
MgM2A .255270 .016773 .227820 .1570 .009797 .011102 .006885 .000386 .000679 .001637 |
|
FeM2A .255270 .016773 .227820 .6232 .009797 .011102 .006885 .000386 .000679 .001637 |
|
CaM2A .255270 .016773 .227820 .0666 .009797 .011102 .006885 .000386 .000679 .001637 |
|
MnM2A .255270 .016773 .227820 .0258 .009797 .011102 .006885 .000386 .000679 .001637 |
|
NaM2A .255270 .016773 .227820 .0030 .009797 .011102 .006885 .000386 .000679 .001637 |
|
CaM2B .254799 .049106 .249403 .1244 .013358 |
|
MgM1 .250463 .654616 .231631 .7611 .007924 .007282 .007881 .000176 .002620 .000379 |
|
Fe2+M1 .250463 .654616 .231631 .2110 .007924 .007282 .007881 .000176 .002620 .000379 |
|
Fe3+M1 .250463 .654616 .231631 .0148 .007924 .007282 .007881 .000176 .002620 .000379 |
|
TiM1 .250463 .654616 .231631 .0101 .007924 .007282 .007881 .000176 .002620 .000379 |
|
MnM1 .250463 .654616 .231631 .0030 .007924 .007282 .007881 .000176 .002620 .000379 |
|
SiA .042706 .340582 .276597 .005926 .006632 .009990 -.000471 .003338 -.000611 |
|
SiB .549432 .837431 .238503 .9840 .006322 .006627 .007951 -.000971 .002810 -.000869 |
|
AlB .549432 .837431 .238503 .0160 .006322 .006627 .007951 -.000971 .002810 -.000869 |
|
O1A .867574 .338142 .168858 .006678 .009500 .009793 .000234 .002697 -.000181 |
|
O2A .121712 .499262 .332009 .012948 .008632 .013529 -.003046 .006316 -.001521 |
|
O3A .104119 .261495 .577342 .008467 .022841 .021137 .000755 .004297 .013864 |
|
O1B .373585 .836679 .134626 .007116 .009783 .010135 .000401 .003060 -.000094 |
|
O2B .628958 .987497 .372795 .014674 .011892 .020790 -.005774 .010092 -.007110 |
|
O3B .604788 .709179 .480857 .007988 .020068 .013646 .001061 .003756 .007464 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 840 min |
|
_database_code_amcsd 0003983 |
|
9.7083 8.9419 5.2481 90 108.496 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) |
|
MgM2A .255350 .016998 .227835 .1638 .010076 .011664 .006989 .000526 .000531 .001827 |
|
FeM2A .255350 .016998 .227835 .6168 .010076 .011664 .006989 .000526 .000531 .001827 |
|
CaM2A .255350 .016998 .227835 .0818 .010076 .011664 .006989 .000526 .000531 .001827 |
|
MnM2A .255350 .016998 .227835 .0256 .010076 .011664 .006989 .000526 .000531 .001827 |
|
NaM2A .255350 .016998 .227835 .0030 .010076 .011664 .006989 .000526 .000531 .001827 |
|
CaM2B .254006 .049964 .250523 .1090 .012862 |
|
MgM1 .250458 .654636 .231614 .7555 .008114 .007295 .007803 .000129 .002486 .000376 |
|
Fe2+M1 .250458 .654636 .231614 .2165 .008114 .007295 .007803 .000129 .002486 .000376 |
|
Fe3+M1 .250458 .654636 .231614 .0147 .008114 .007295 .007803 .000129 .002486 .000376 |
|
TiM1 .250458 .654636 .231614 .0101 .008114 .007295 .007803 .000129 .002486 .000376 |
|
MnM1 .250458 .654636 .231614 .0031 .008114 .007295 .007803 .000129 .002486 .000376 |
|
SiA .042773 .340485 .276644 .006343 .006583 .010066 -.000480 .003513 -.000497 |
|
SiB .549476 .837426 .238619 .9840 .006577 .006701 .007699 -.000973 .002872 -.000866 |
|
AlB .549476 .837426 .238619 .0160 .006577 .006701 .007699 -.000973 .002872 -.000866 |
|
O1A .867700 .338268 .168992 .007240 .009438 .009464 .000348 .002843 .000026 |
|
O2A .121729 .499420 .332068 .012667 .008788 .013187 -.003050 .005932 -.001450 |
|
O3A .104064 .261685 .577778 .008956 .022733 .020495 .000523 .004326 .013274 |
|
O1B .373752 .836774 .134780 .007120 .009922 .010009 .000104 .003076 .000034 |
|
O2B .629048 .987627 .372865 .014394 .012164 .020520 -.005910 .009837 -.007271 |
|
O3B .604800 .709020 .480661 .008604 .020696 .012748 .000691 .003710 .007679 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 1680 min |
|
_database_code_amcsd 0003984 |
|
9.7050 8.9419 5.2454 90 108.485 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) |
|
MgM2A .255294 .016983 .227843 .1633 .009888 .011808 .007204 .000392 .000669 .001650 |
|
FeM2A .255294 .016983 .227843 .6173 .009888 .011808 .007204 .000392 .000669 .001650 |
|
CaM2A .255294 .016983 .227843 .0798 .009888 .011808 .007204 .000392 .000669 .001650 |
|
MnM2A .255294 .016983 .227843 .0258 .009888 .011808 .007204 .000392 .000669 .001650 |
|
NaM2A .255294 .016983 .227843 .0029 .009888 .011808 .007204 .000392 .000669 .001650 |
|
CaM2B .254803 .049987 .251073 .1109 .012528 |
|
MgM1 .250486 .654615 .231632 .7537 .007833 .007442 .007987 .000070 .002677 .000376 |
|
Fe2+M1 .250486 .654615 .231632 .2182 .007833 .007442 .007987 .000070 .002677 .000376 |
|
Fe3+M1 .250486 .654615 .231632 .0149 .007833 .007442 .007987 .000070 .002677 .000376 |
|
TiM1 .250486 .654615 .231632 .0100 .007833 .007442 .007987 .000070 .002677 .000376 |
|
MnM1 .250486 .654615 .231632 .0031 .007833 .007442 .007987 .000070 .002677 .000376 |
|
SiA .042737 .340507 .276730 .006024 .006895 .010060 -.000566 .003481 -.000597 |
|
SiB .549473 .837436 .238531 .9840 .006275 .006962 .007882 -.001109 .002928 -.000931 |
|
AlB .549473 .837436 .238531 .0160 .006275 .006962 .007882 -.001109 .002928 -.000931 |
|
O1A .867461 .338201 .168841 .006385 .009842 .009864 .000404 .002548 -.000102 |
|
O2A .121810 .499265 .332051 .012511 .009078 .013444 -.003188 .006268 -.001488 |
|
O3A .104200 .261853 .578004 .008954 .023127 .020415 .000895 .004816 .013771 |
|
O1B .373691 .836795 .134666 .007003 .010440 .010018 .000527 .003254 -.000206 |
|
O2B .629186 .987420 .372973 .014439 .012151 .021478 -.006047 .010388 -.007216 |
|
O3B .604876 .709111 .480893 .008436 .020555 .013420 .000648 .003969 .007856 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 3120 min |
|
_database_code_amcsd 0003985 |
|
9.7096 8.9413 5.2470 90 108.499 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) |
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MgM2A .255332 .016890 .227805 .1659 .010164 .011509 .007187 .000461 .000689 .001758 |
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FeM2A .255332 .016890 .227805 .6145 .010164 .011509 .007187 .000461 .000689 .001758 |
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CaM2A .255332 .016890 .227805 .0798 .010164 .011509 .007187 .000461 .000689 .001758 |
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MnM2A .255332 .016890 .227805 .0256 .010164 .011509 .007187 .000461 .000689 .001758 |
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NaM2A .255332 .016890 .227805 .0030 .010164 .011509 .007187 .000461 .000689 .001758 |
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CaM2B .254466 .049217 .249712 .1111 .012476 |
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MgM1 .250454 .654611 .231556 .7534 .008184 .007012 .007883 .000113 .002620 .000370 |
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Fe2+M1 .250454 .654611 .231556 .2186 .008184 .007012 .007883 .000113 .002620 .000370 |
|
Fe3+M1 .250454 .654611 .231556 .0148 .008184 .007012 .007883 .000113 .002620 .000370 |
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TiM1 .250454 .654611 .231556 .0101 .008184 .007012 .007883 .000113 .002620 .000370 |
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MnM1 .250454 .654611 .231556 .0031 .008184 .007012 .007883 .000113 .002620 .000370 |
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SiA .042715 .340487 .276703 .006316 .006487 .010009 -.000608 .003648 -.000663 |
|
SiB .549474 .837394 .238494 .9840 .006553 .006335 .007861 -.001068 .002813 -.000849 |
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AlB .549474 .837394 .238494 .0160 .006553 .006335 .007861 -.001068 .002813 -.000849 |
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O1A .867631 .338223 .168908 .007266 .009184 .009761 .000247 .003093 -.000141 |
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O2A .121763 .499324 .332289 .012764 .008255 .013775 -.003476 .006189 -.001537 |
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O3A .104158 .261651 .577691 .009004 .023037 .020501 .000727 .004152 .014218 |
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O1B .373622 .836789 .134527 .007039 .010057 .009897 .000543 .003130 -.000039 |
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O2B .628987 .987459 .373039 .014092 .011448 .021322 -.005840 .009883 -.007214 |
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O3B .604950 .708981 .480852 .008381 .019804 .013387 .000673 .003609 .007481 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 650 C for t = 7440 min |
|
_database_code_amcsd 0003986 |
|
9.7079 8.9442 5.2463 90 108.485 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255282 .016979 .227891 .1634 .010235 .011727 .007250 .000479 .000740 .001642 |
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FeM2A .255282 .016979 .227891 .6171 .010235 .011727 .007250 .000479 .000740 .001642 |
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CaM2A .255282 .016979 .227891 .0821 .010235 .011727 .007250 .000479 .000740 .001642 |
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MnM2A .255282 .016979 .227891 .0257 .010235 .011727 .007250 .000479 .000740 .001642 |
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NaM2A .255282 .016979 .227891 .0030 .010235 .011727 .007250 .000479 .000740 .001642 |
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CaM2B .254589 .049760 .250257 .1087 .011886 |
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MgM1 .250489 .654620 .231584 .7550 .007807 .007142 .007782 .000092 .002566 .000387 |
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Fe2+M1 .250489 .654620 .231584 .2170 .007807 .007142 .007782 .000092 .002566 .000387 |
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Fe3+M1 .250489 .654620 .231584 .0148 .007807 .007142 .007782 .000092 .002566 .000387 |
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TiM1 .250489 .654620 .231584 .0101 .007807 .007142 .007782 .000092 .002566 .000387 |
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MnM1 .250489 .654620 .231584 .0031 .007807 .007142 .007782 .000092 .002566 .000387 |
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SiA .042729 .340477 .276749 .006018 .006584 .009977 -.000578 .003327 -.000570 |
|
SiB .549506 .837426 .238473 .9840 .006361 .006651 .007930 -.001073 .002945 -.000870 |
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AlB .549506 .837426 .238473 .0160 .006361 .006651 .007930 -.001073 .002945 -.000870 |
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O1A .867635 .338173 .169103 .006813 .009824 .009486 .000284 .002934 -.000095 |
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O2A .121774 .499274 .331896 .012401 .008987 .013184 -.003211 .005978 -.001634 |
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O3A .104166 .261712 .578019 .008786 .022801 .020595 .000888 .004273 .013765 |
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O1B .373694 .836702 .134815 .006744 .010149 .010391 .0006 .003333 -.000071 |
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O2B .629061 .987535 .372930 .014553 .012035 .021052 -.006006 .010667 -.007435 |
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O3B .604928 .708950 .480703 .008435 .020421 .013397 .000597 .003743 .007760 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 9 min |
|
_database_code_amcsd 0003987 |
|
9.7071 8.9425 5.2463 90 108.484 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255386 .016861 .227773 .1738 .009888 .011298 .006892 .000573 .000550 .001875 |
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FeM2A .255386 .016861 .227773 .6067 .009888 .011298 .006892 .000573 .000550 .001875 |
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CaM2A .255386 .016861 .227773 .0792 .009888 .011298 .006892 .000573 .000550 .001875 |
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MnM2A .255386 .016861 .227773 .0256 .009888 .011298 .006892 .000573 .000550 .001875 |
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NaM2A .255386 .016861 .227773 .0029 .009888 .011298 .006892 .000573 .000550 .001875 |
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CaM2B .253983 .049861 .249172 .1116 .011967 |
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MgM1 .250472 .654568 .231437 .7426 .008038 .007402 .007742 .000081 .002435 .000412 |
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Fe2+M1 .250472 .654568 .231437 .2291 .008038 .007402 .007742 .000081 .002435 .000412 |
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Fe3+M1 .250472 .654568 .231437 .0149 .008038 .007402 .007742 .000081 .002435 .000412 |
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TiM1 .250472 .654568 .231437 .0100 .008038 .007402 .007742 .000081 .002435 .000412 |
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MnM1 .250472 .654568 .231437 .0033 .008038 .007402 .007742 .000081 .002435 .000412 |
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SiA .042781 .340544 .276939 .006008 .006603 .009983 -.000481 .003388 -.000685 |
|
SiB .549499 .837407 .238443 .9840 .006311 .006519 .007882 -.001010 .002816 -.000861 |
|
AlB .549499 .837407 .238443 .0160 .006311 .006519 .007882 -.001010 .002816 -.000861 |
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O1A .867560 .338272 .169183 .006893 .009713 .009155 .000201 .002802 -.000276 |
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O2A .121725 .499367 .331784 .012955 .008593 .013594 -.003590 .006479 -.001405 |
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O3A .104015 .262078 .578104 .008426 .022430 .020490 .000198 .004085 .013388 |
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O1B .373548 .836715 .134465 .007051 .009972 .009633 .000398 .002988 -.000168 |
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O2B .629062 .987312 .372932 .014249 .012329 .020598 -.005805 .009906 -.007271 |
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O3B .604799 .708806 .480798 .007915 .019111 .013706 .000425 .003154 .007400 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 15 min |
|
_database_code_amcsd 0003988 |
|
9.7100 8.9425 5.2470 90 108.495 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2A .255352 .016884 .227763 .1766 .010160 .011325 .007292 .000549 .000861 .001776 |
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FeM2A .255352 .016884 .227763 .6035 .010160 .011325 .007292 .000549 .000861 .001776 |
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CaM2A .255352 .016884 .227763 .0854 .010160 .011325 .007292 .000549 .000861 .001776 |
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MnM2A .255352 .016884 .227763 .0254 .010160 .011325 .007292 .000549 .000861 .001776 |
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NaM2A .255352 .016884 .227763 .0030 .010160 .011325 .007292 .000549 .000861 .001776 |
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CaM2B .254228 .050635 .249672 .1060 .010891 |
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MgM1 .250485 .654544 .231401 .7427 .008019 .006922 .007716 .000121 .002658 .000391 |
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Fe2+M1 .250485 .654544 .231401 .2291 .008019 .006922 .007716 .000121 .002658 .000391 |
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Fe3+M1 .250485 .654544 .231401 .0148 .008019 .006922 .007716 .000121 .002658 .000391 |
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TiM1 .250485 .654544 .231401 .0101 .008019 .006922 .007716 .000121 .002658 .000391 |
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MnM1 .250485 .654544 .231401 .0033 .008019 .006922 .007716 .000121 .002658 .000391 |
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SiA .042730 .340529 .276987 .006270 .006402 .010099 -.000466 .003713 -.000652 |
|
SiB .549506 .837414 .238500 .9840 .006515 .006273 .008035 -.000936 .002964 -.000871 |
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AlB .549506 .837414 .238500 .0160 .006515 .006273 .008035 -.000936 .002964 -.000871 |
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O1A .867569 .338344 .169231 .006948 .009497 .009704 .000215 .002950 -.000118 |
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O2A .121805 .499435 .331915 .013088 .008483 .013538 -.003161 .006236 -.001465 |
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O3A .104015 .261724 .577531 .008534 .021421 .021151 .000509 .004146 .013361 |
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O1B .373623 .836731 .134554 .007438 .009877 .010243 .000308 .003324 -.000143 |
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O2B .629058 .987268 .373140 .014229 .012135 .020847 -.005885 .009569 -.007278 |
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O3B .604826 .709132 .480646 .007849 .019519 .013338 .000240 .003296 .007327 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 25 min |
|
_database_code_amcsd 0003989 |
|
9.7086 8.9436 5.2464 90 108.491 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) |
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MgM2A .255343 .017083 .227875 .1809 .009868 .011695 .007013 .000707 .000697 .001897 |
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FeM2A .255343 .017083 .227875 .5998 .009868 .011695 .007013 .000707 .000697 .001897 |
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CaM2A .255343 .017083 .227875 .0918 .009868 .011695 .007013 .000707 .000697 .001897 |
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MnM2A .255343 .017083 .227875 .0254 .009868 .011695 .007013 .000707 .000697 .001897 |
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NaM2A .255343 .017083 .227875 .0030 .009868 .011695 .007013 .000707 .000697 .001897 |
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CaM2B .253806 .052197 .250425 .0991 .012219 |
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MgM1 .250453 .654551 .231361 .7378 .008041 .007175 .007714 .000087 .002570 .000422 |
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Fe2+M1 .250453 .654551 .231361 .2339 .008041 .007175 .007714 .000087 .002570 .000422 |
|
Fe3+M1 .250453 .654551 .231361 .0148 .008041 .007175 .007714 .000087 .002570 .000422 |
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TiM1 .250453 .654551 .231361 .0101 .008041 .007175 .007714 .000087 .002570 .000422 |
|
MnM1 .250453 .654551 .231361 .0034 .008041 .007175 .007714 .000087 .002570 .000422 |
|
SiA .042783 .340542 .277152 .006036 .006595 .010076 -.000511 .003321 -.000719 |
|
SiB .549492 .837440 .238445 .9840 .006405 .006396 .007766 -.001012 .002780 -.000951 |
|
AlB .549492 .837440 .238445 .0160 .006405 .006396 .007766 -.001012 .002780 -.000951 |
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O1A .867637 .338348 .169093 .006772 .009877 .009668 .000102 .002454 -.000101 |
|
O2A .121619 .499310 .331960 .012958 .008570 .013053 -.003038 .006049 -.001390 |
|
O3A .104192 .261874 .577904 .008636 .022006 .020389 .000708 .004432 .013121 |
|
O1B .373669 .836715 .134376 .006945 .010397 .009739 .000434 .002994 -.000251 |
|
O2B .629019 .987257 .373130 .014413 .012079 .020820 -.005423 .010095 -.007376 |
|
O3B .604865 .709118 .480576 .007414 .019925 .013782 .000533 .002983 .007893 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 50 min |
|
_database_code_amcsd 0003990 |
|
9.7100 8.9462 5.2480 90 108.494 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) |
|
MgM2A .255397 .017006 .227798 .1853 .010350 .011857 .007178 .000642 .000714 .001838 |
|
FeM2A .255397 .017006 .227798 .5953 .010350 .011857 .007178 .000642 .000714 .001838 |
|
CaM2A .255397 .017006 .227798 .0905 .010350 .011857 .007178 .000642 .000714 .001838 |
|
MnM2A .255397 .017006 .227798 .0254 .010350 .011857 .007178 .000642 .000714 .001838 |
|
NaM2A .255397 .017006 .227798 .0030 .010350 .011857 .007178 .000642 .000714 .001838 |
|
CaM2B .254139 .050652 .250382 .1005 .011767 |
|
MgM1 .250475 .654558 .231353 .7323 .008199 .007122 .007921 .000138 .002570 .000401 |
|
Fe2+M1 .250475 .654558 .231353 .2393 .008199 .007122 .007921 .000138 .002570 .000401 |
|
Fe3+M1 .250475 .654558 .231353 .0149 .008199 .007122 .007921 .000138 .002570 .000401 |
|
TiM1 .250475 .654558 .231353 .0101 .008199 .007122 .007921 .000138 .002570 .000401 |
|
MnM1 .250475 .654558 .231353 .0035 .008199 .007122 .007921 .000138 .002570 .000401 |
|
SiA .042771 .340522 .277198 .006160 .006592 .009959 -.000488 .003532 -.000605 |
|
SiB .549509 .837405 .238559 .9840 .006617 .006437 .007905 -.001008 .002763 -.000890 |
|
AlB .549509 .837405 .238559 .0160 .006617 .006437 .007905 -.001008 .002763 -.000890 |
|
O1A .867664 .338357 .169539 .007044 .009817 .009801 .000191 .002751 -.000162 |
|
O2A .121695 .499396 .331926 .012467 .008826 .013610 -.003155 .005867 -.001246 |
|
O3A .103940 .261971 .578301 .008532 .022395 .020475 .000785 .004466 .013504 |
|
O1B .373889 .836792 .134805 .007349 .010502 .009671 .000214 .002998 -.000258 |
|
O2B .629044 .987291 .373286 .014641 .012154 .020885 -.005733 .010017 -.007235 |
|
O3B .604797 .708908 .480566 .007590 .020180 .013441 .000519 .003159 .007791 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 100 min |
|
_database_code_amcsd 0003991 |
|
9.7103 8.9444 5.2490 90 108.468 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) |
|
MgM2A .255430 .016601 .227333 .1840 .010072 .010993 .006725 .000400 .000808 .001990 |
|
FeM2A .255430 .016601 .227333 .5962 .010072 .010993 .006725 .000400 .000808 .001990 |
|
CaM2A .255430 .016601 .227333 .0585 .010072 .010993 .006725 .000400 .000808 .001990 |
|
MnM2A .255430 .016601 .227333 .0256 .010072 .010993 .006725 .000400 .000808 .001990 |
|
NaM2A .255430 .016601 .227333 .0029 .010072 .010993 .006725 .000400 .000808 .001990 |
|
CaM2B .254117 .047268 .248772 .1327 .014292 |
|
MgM1 .250473 .654505 .231278 .7314 .008074 .006995 .007481 .000076 .002562 .000376 |
|
Fe2+M1 .250473 .654505 .231278 .2402 .008074 .006995 .007481 .000076 .002562 .000376 |
|
Fe3+M1 .250473 .654505 .231278 .0149 .008074 .006995 .007481 .000076 .002562 .000376 |
|
TiM1 .250473 .654505 .231278 .0100 .008074 .006995 .007481 .000076 .002562 .000376 |
|
MnM1 .250473 .654505 .231278 .0036 .008074 .006995 .007481 .000076 .002562 .000376 |
|
SiA .042806 .340572 .277299 .006224 .006421 .009968 -.000532 .003488 -.000661 |
|
SiB .549537 .837392 .238408 .9840 .006507 .006317 .007845 -.001050 .002804 -.000866 |
|
AlB .549537 .837392 .238408 .0160 .006507 .006317 .007845 -.001050 .002804 -.000866 |
|
O1A .867713 .338339 .169512 .006806 .009610 .009625 .000131 .002942 -.000050 |
|
O2A .121601 .499343 .331794 .013119 .008838 .013213 -.003485 .006653 -.001453 |
|
O3A .103990 .262082 .578175 .008584 .021332 .020489 .000231 .003929 .012907 |
|
O1B .373728 .836778 .134502 .006996 .010242 .009970 .000416 .003045 -.000200 |
|
O2B .628888 .987282 .372944 .014269 .012262 .020971 -.005886 .010061 -.007429 |
|
O3B .604697 .709102 .480355 .008074 .018918 .013843 .000482 .003218 .007726 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Domeneghetti M C, Zema M, Tazzoli V |
|
American Mineralogist 90 (2005) 1816-1823 |
|
Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite |
|
Locality: Parana, Brazil |
|
Sample: N.13, annealed at T = 750 C for t = 250 min |
|
_database_code_amcsd 0003992 |
|
9.7109 8.9437 5.2477 90 108.469 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) |
|
MgM2A .255369 .016985 .227765 .1868 .010437 .011529 .007228 .000656 .000694 .001797 |
|
FeM2A .255369 .016985 .227765 .5939 .010437 .011529 .007228 .000656 .000694 .001797 |
|
CaM2A .255369 .016985 .227765 .0937 .010437 .011529 .007228 .000656 .000694 .001797 |
|
MnM2A .255369 .016985 .227765 .0254 .010437 .011529 .007228 .000656 .000694 .001797 |
|
NaM2A .255369 .016985 .227765 .0029 .010437 .011529 .007228 .000656 .000694 .001797 |
|
CaM2B .254379 .052024 .250193 .0973 .010276 |
|
MgM1 .250443 .654518 .231293 .7300 .008093 .006802 .007662 .000146 .002403 .000400 |
|
Fe2+M1 .250443 .654518 .231293 .2415 .008093 .006802 .007662 .000146 .002403 .000400 |
|
Fe3+M1 .250443 .654518 .231293 .0148 .008093 .006802 .007662 .000146 .002403 .000400 |
|
TiM1 .250443 .654518 .231293 .0101 .008093 .006802 .007662 .000146 .002403 .000400 |
|
MnM1 .250443 .654518 .231293 .0036 .008093 .006802 .007662 .000146 .002403 .000400 |
|
SiA .042780 .340531 .277224 .006318 .006352 .009809 -.000548 .003477 -.000611 |
|
SiB .549561 .837388 .238439 .9840 .006602 .006230 .007792 -.000950 .002750 -.000881 |
|
AlB .549561 .837388 .238439 .0160 .006602 .006230 .007792 -.000950 .002750 -.000881 |
|
O1A .867607 .338382 .169391 .006799 .009828 .009211 .000196 .002431 -.000182 |
|
O2A .121791 .499300 .331729 .013106 .008417 .013068 -.003348 .006254 -.001415 |
|
O3A .104162 .262175 .578144 .009198 .022251 .020564 .000269 .004081 .013764 |
|
O1B .373661 .836811 .134652 .007207 .009612 .010073 .000289 .003052 -.000312 |
|
O2B .629184 .987272 .373287 .015278 .011497 .021002 -.006026 .010266 -.007419 |
|
O3B .604825 .708772 .480497 .007975 .019475 .013004 .000305 .003367 .007564 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 0.0001 GPa |
|
_database_code_amcsd 0005003 |
|
9.749 8.937 5.246 90 108.49 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2505 .6546 .2322 .253 .0104 |
|
MgA .2505 .6546 .2322 .747 .0104 |
|
FeB .2558 .0177 .2294 .755 .0135 |
|
MgB .2558 .0177 .2294 .124 .0135 |
|
CaB .246 .039 .264 .121 .03 |
|
SiA .0428 .3400 .2745 .99 .0086 |
|
AlA .0428 .3400 .2745 .01 .0086 |
|
SiB .5482 .8383 .2384 .99 .0089 |
|
AlB .5482 .8383 .2384 .01 .0089 |
|
O1A .867 .3374 .168 .008 |
|
O1B .373 .8373 .133 .009 |
|
O2A .118 .4971 .330 .012 |
|
O2B .633 .9886 .372 .017 |
|
O3A .100 .2599 .572 .020 |
|
O3B .607 .7130 .484 .016 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 0.047 GPa |
|
_database_code_amcsd 0005004 |
|
9.722 8.941 5.247 90 108.5 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2514 .6549 .2331 .253 .0113 |
|
MgA .2514 .6549 .2331 .747 .0113 |
|
FeB .2564 .0188 .2300 .755 .0142 |
|
MgB .2564 .0188 .2300 .124 .0142 |
|
CaB .252 .027 .283 .121 .03 |
|
SiA .0432 .3401 .2748 .99 .0100 |
|
AlA .0432 .3401 .2748 .01 .0100 |
|
SiB .5477 .8377 .2385 .99 .0083 |
|
AlB .5477 .8377 .2385 .01 .0083 |
|
O1A .869 .3378 .170 .012 |
|
O1B .371 .8379 .133 .009 |
|
O2A .123 .4987 .333 .011 |
|
O2B .628 .9868 .367 .020 |
|
O3A .104 .2621 .574 .020 |
|
O3B .606 .7128 .484 .018 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 0.984 GPa |
|
_database_code_amcsd 0005005 |
|
9.701 8.887 5.226 90 108.38 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2520 .6560 .2328 .253 .0115 |
|
MgA .2520 .6560 .2328 .747 .0115 |
|
FeB .2559 .0206 .2280 .755 .0140 |
|
MgB .2559 .0206 .2280 .124 .0140 |
|
CaB .248 .016 .281 .121 .03 |
|
SiA .0428 .3411 .2747 .99 .0106 |
|
AlA .0428 .3411 .2747 .01 .0106 |
|
SiB .5489 .8370 .2375 .99 .0088 |
|
AlB .5489 .8370 .2375 .01 .0088 |
|
O1A .870 .3409 .170 .010 |
|
O1B .372 .8375 .132 .010 |
|
O2A .123 .4999 .333 .009 |
|
O2B .627 .989 .368 .019 |
|
O3A .105 .260 .576 .021 |
|
O3B .606 .711 .478 .017 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 1.794 GPa |
|
_database_code_amcsd 0005006 |
|
9.659 8.877 5.218 90 108.09 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2513 .6559 .2305 .253 .0108 |
|
MgA .2513 .6559 .2305 .747 .0108 |
|
FeB .2564 .0205 .2272 .755 .0134 |
|
MgB .2564 .0205 .2272 .124 .0134 |
|
CaB .250 .033 .279 .121 .03 |
|
SiA .0426 .3416 .2736 .99 .0097 |
|
AlA .0426 .3416 .2736 .01 .0097 |
|
SiB .5492 .8382 .2360 .99 .0085 |
|
AlB .5492 .8382 .2360 .01 .0085 |
|
O1A .868 .3380 .169 .009 |
|
O1B .373 .8385 .133 .010 |
|
O2A .123 .5002 .333 .013 |
|
O2B .627 .9894 .370 .015 |
|
O3A .102 .260 .572 .024 |
|
O3B .605 .709 .475 .020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 3.167 GPa |
|
_database_code_amcsd 0005007 |
|
9.621 8.827 5.199 90 107.82 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2509 .6565 .2286 .253 .0103 |
|
MgA .2509 .6565 .2286 .747 .0103 |
|
FeB .2573 .0219 .2245 .755 .0120 |
|
MgB .2573 .0219 .2245 .124 .0120 |
|
CaB .238 .033 .256 .121 .03 |
|
SiA .0412 .3417 .2732 .99 .0099 |
|
AlA .0412 .3417 .2732 .01 .0099 |
|
SiB .5499 .8378 .2332 .99 .0071 |
|
AlB .5499 .8378 .2332 .01 .0071 |
|
O1A .8676 .3400 .171 .010 |
|
O1B .3742 .8373 .131 .009 |
|
O2A .1200 .5035 .330 .009 |
|
O2B .6259 .9876 .370 .015 |
|
O3A .104 .2623 .573 .022 |
|
O3B .6070 .7059 .470 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 3.172 GPa |
|
_database_code_amcsd 0005008 |
|
9.622 8.861 5.181 90 107.92 90 P2_1/c |
|
atom x y z occ Uiso |
|
FeA .2505 .6563 .2284 .253 .0100 |
|
MgA .2505 .6563 .2284 .747 .0100 |
|
FeB .2562 .0218 .2234 .755 .0111 |
|
MgB .2562 .0218 .2234 .124 .0111 |
|
CaB .251 .028 .277 .121 .03 |
|
SiA .0418 .3417 .2740 .99 .0086 |
|
AlA .0418 .3417 .2740 .01 .0086 |
|
SiB .5497 .8380 .2334 .99 .0079 |
|
AlB .5497 .8380 .2334 .01 .0079 |
|
O1A .8668 .3381 .171 .008 |
|
O1B .3741 .8374 .131 .008 |
|
O2A .1187 .5021 .329 .012 |
|
O2B .628 .9878 .371 .013 |
|
O3A .103 .2616 .575 .020 |
|
O3B .607 .7055 .471 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 3.587 GPa |
|
_database_code_amcsd 0005009 |
|
9.518 8.804 5.056 90 104.04 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9063 .25 .253 .0096 |
|
MgA 0 .9063 .25 .747 .0096 |
|
FeB 0 .2775 .25 .755 .0150 |
|
MgB 0 .2775 .25 .124 .0150 |
|
CaB 0 .2775 .25 .121 .0150 |
|
Si .2957 .0905 .2240 .0075 |
|
Al .2957 .0905 .2240 .0075 |
|
O1 .1221 .0895 .1431 .010 |
|
O2 .3741 .2400 .3598 .012 |
|
O3 .3521 .0485 .948 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 3.649 GPa |
|
_database_code_amcsd 0005010 |
|
9.494 8.818 5.060 90 104.11 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9064 .25 .253 .0098 |
|
MgA 0 .9064 .25 .747 .0098 |
|
FeB 0 .2779 .25 .755 .0157 |
|
MgB 0 .2779 .25 .124 .0157 |
|
CaB 0 .2779 .25 .121 .0157 |
|
Si .2956 .0905 .2237 .99 .0081 |
|
Al .2956 .0905 .2237 .01 .0081 |
|
O1 .1216 .0893 .143 .001 |
|
O2 .3732 .2395 .360 .012 |
|
O3 .3517 .0496 .945 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 6.409 GPa |
|
_database_code_amcsd 0005011 |
|
9.434 8.745 5.014 90 103.44 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9072 .25 .253 .0108 |
|
MgA 0 .9072 .25 .747 .0108 |
|
FeB 0 .2792 .25 .755 .0146 |
|
MgB 0 .2792 .25 .124 .0146 |
|
CaB 0 .2792 .25 .121 .0146 |
|
Si .2957 .0912 .2207 .99 .0084 |
|
Al .2957 .0912 .2207 .01 .0084 |
|
O1 .1209 .0891 .141 .009 |
|
O2 .3738 .2408 .359 .012 |
|
O3 .3527 .0509 .939 .015 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 7.762 GPa |
|
_database_code_amcsd 0005012 |
|
9.402 8.716 4.996 90 103.28 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9077 .25 .253 .0113 |
|
MgA 0 .9077 .25 .747 .0113 |
|
FeB 0 .2797 .25 .755 .0148 |
|
MgB 0 .2797 .25 .124 .0148 |
|
CaB 0 .2797 .25 .121 .0148 |
|
Si .2959 .0911 .2203 .99 .0090 |
|
Al .2959 .0911 .2203 .01 .0090 |
|
O1 .1218 .0889 .142 .008 |
|
O2 .3739 .2411 .360 .013 |
|
O3 .3517 .0523 .936 .015 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V |
|
American Mineralogist 95 (2010) 300-311 |
|
High-pressure phase transition of a natural pigeonite |
|
Locality: Parana, Brazil |
|
Note: P = 9.405 GPa |
|
_database_code_amcsd 0005013 |
|
9.366 8.682 4.974 90 103.09 90 C2/c |
|
atom x y z occ Uiso |
|
FeA 0 .9080 .25 .253 .011 |
|
MgA 0 .9080 .25 .747 .011 |
|
FeB 0 .2805 .25 .755 .014 |
|
MgB 0 .2805 .25 .124 .014 |
|
CaB 0 .2805 .25 .121 .014 |
|
Si .2954 .0911 .2188 .99 .0083 |
|
Al .2954 .0911 .2188 .01 .0083 |
|
O1 .1217 .0890 .139 .007 |
|
O2 .3732 .2428 .361 .010 |
|
O3 .352 .0523 .935 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Merli M, Camara F |
| |
European Journal of Mineralogy 15 (2003) 903-911 |
|
Topological analysis of the electron density of the clinopyroxene |
|
structure by the maximum entropy method: an exploratory study |
|
Sample: BTS-308 n.13 |
|
Note: Site occupancies are from personal communication with Camara, Dec 2003 |
|
Locality: in ryodacite, Parana, Brazil |
|
_database_code_amcsd 0007018 |
|
9.716 8.948 5.250 90 108.49 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM1 .25042 .65468 .23160 .7600 .00781 .00677 .00795 .00012 .00293 .00042 |
|
Fe2+M1 .25042 .65468 .23160 .2112 .00781 .00677 .00795 .00012 .00293 .00042 |
|
Fe3+M1 .25042 .65468 .23160 .0089 .00781 .00677 .00795 .00012 .00293 .00042 |
|
AlM1 .25042 .65468 .23160 .0031 .00781 .00677 .00795 .00012 .00293 .00042 |
|
MnM1 .25042 .65468 .23160 .0068 .00781 .00677 .00795 .00012 .00293 .00042 |
|
TiM1 .25042 .65468 .23160 .0099 .00781 .00677 .00795 .00012 .00293 .00042 |
|
MgM2 .25528 .01601 .22693 .1511 .00901 .00979 .00739 .00142 .00093 .00032 |
|
FeM2 .25528 .01601 .22693 .6338 .00901 .00979 .00739 .00142 .00093 .00032 |
|
MnM2 .25528 .01601 .22693 .0203 .00901 .00979 .00739 .00142 .00093 .00032 |
|
NaM2 .25488 .04381 .24617 .0029 .00901 .00979 .00739 .00142 .00093 .00032 |
|
CaM2 .25488 .04381 .24617 .1918 .00901 .00979 .00739 .00142 .00093 .00032 |
|
SiA .04270 .34048 .27686 .00590 .00580 .01012 -.00065 .00340 -.00066 |
|
SiB .54958 .83740 .23867 .97 .00629 .00617 .00772 -.00098 .00295 -.00094 |
|
AlB .54958 .83740 .23867 .03 .00629 .00617 .00772 -.00098 .00295 -.00094 |
|
O1A .86743 .33823 .16903 .00613 .00923 .00940 .00063 .00266 -.00006 |
|
O1B .37368 .83676 .13442 .00683 .00948 .00997 .00044 .00275 -.00037 |
|
O2A .12187 .49939 .33255 .01219 .00763 .01294 -.00284 .00609 -.00108 |
|
O2B .62955 .98749 .37462 .01409 .01096 .01890 -.00521 .00890 -.00627 |
|
O3A .10426 .26238 .57898 .00901 .02053 .01960 .00100 .00451 .01259 |
|
O3B .60501 .70835 .47992 .00830 .01959 .01190 .00085 .00365 .00703 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Pigeonite |
|
Merli M, Camara F |
| |
European Journal of Mineralogy 15 (2003) 903-911 |
|
Topological analysis of the electron density of the clinopyroxene |
|
structure by the maximum entropy method: an exploratory study |
|
Sample: Dien2 |
|
Note: c-cell parameter changed by personal communication with author, Dec 2003 |
|
Locality: synthetic |
|
_database_code_amcsd 0007019 |
|
9.651 8.846 5.252 90 108.38 90 P2_1/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM1 .25087 .65380 .22285 .00629 .00653 .00510 .00011 .00159 .00059 |
|
MgM2 .25460 .01964 .22660 .85 .01058 .01924 .00766 .00418 .00203 .00455 |
|
CaM2 .25841 .01087 .20226 .15 .01058 .01924 .00766 .00418 .00203 .00455 |
|
SiA .04238 .34128 .28692 .00439 .00466 .00536 -.00038 .00218 -.00052 |
|
SiB .55079 .83812 .23265 .00491 .00481 .00547 -.00092 .00206 -.00075 |
|
O1A .86656 .33956 .17880 .00447 .00657 .00625 -.00012 .00095 -.00014 |
|
O1B .37434 .83961 .12751 .00535 .00832 .00567 -.00047 .00234 -.00077 |
|
O2A .12118 .50101 .32222 .00804 .00463 .00796 -.00132 .00253 .00072 |
|
O2B .63168 .98528 .38165 .01038 .00754 .01399 -.00322 .00693 -.00454 |
|
O3A .10512 .27501 .60186 .00514 .01205 .00830 .00057 .00219 .00593 |
|
O3B .60461 .70081 .46414 .00557 .01254 .00884 .00102 .00263 .00384 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pigeonite |
|
Angel R J, McCammon C A, Woodland A B |
| |
Physics and Chemistry of Minerals 25 (1998) 249-258 |
|
Structure, ordering and cation interactions in Ca-free P2_1/c clinopyroxenes |
|
Sample: H162 |
|
Note: x coordinate of O2B changed by author, May, 2004 |
|
_database_code_amcsd 0008137 |
|
9.6519 8.9075 5.2004 90 108.590 90 P2_1/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
MgM1 .2512 .6539 .2201 .779 1.01 .0026 .0026 .0125 -.0010 .0010 -.0010 |
|
FeM1 .2512 .6539 .2201 .221 1.01 .0026 .0026 .0125 -.0010 .0010 -.0010 |
|
MgM2 .2570 .0153 .2202 .441 1.28 .0037 .0045 .0115 -.0006 .0014 -.0015 |
|
FeM2 .2570 .0153 .2202 .559 1.28 .0037 .0045 .0115 -.0006 .0014 -.0015 |
|
SiA .0431 .3401 .2899 .79 .0022 .0028 .0081 .0001 .0016 -.0002 |
|
SiB .5531 .8359 .2354 .73 .0018 .0025 .0082 -.0002 .0013 -.0008 |
|
O1A .8691 .3376 .1821 .97 .0040 .0038 .0048 -.0011 .0025 -.0010 |
|
O1B .3750 .8388 .1287 .72 .0017 .0024 .0063 .0003 -.0007 -.0018 |
|
O2A .1239 .4993 .3283 .81 .0024 .0022 .0083 -.0001 .0005 .0015 |
|
O2B .6344 .9819 .3869 1.21 .0030 .0032 .0155 -.0006 .0015 .0032 |
|
O3A .1047 .2729 .6053 1.11 .0032 .0039 .0083 .0000 -.0004 .0004 |
|
O3B .6048 .7006 .4625 .99 .0025 .0030 .0133 .0008 .0026 .0003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
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Pigeonite |
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Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
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Physics and Chemistry of Minerals 29 (2002) 331-340 |
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Non-convergent ordering and displacive phase transition in pigeonite: |
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in situ HT XRD study |
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Sample: hga, T = 25 C |
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Locality: from rhyodacite, Parana, Brazil |
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_database_code_amcsd 0008637 |
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9.719 8.947 5.251 90 108.49 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 .2506 .6548 .2317 .7668 .006 .007 .006 .007 .000 .003 .000 |
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FeM1 .2506 .6548 .2317 .2082 .006 .007 .006 .007 .000 .003 .000 |
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MnM1 .2506 .6548 .2317 .0067 .006 .007 .006 .007 .000 .003 .000 |
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CaM1 .2506 .6548 .2317 .0183 .006 .007 .006 .007 .000 .003 .000 |
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MgM2 .2552 .0192 .2294 .1596 .011 .009 .016 .008 .001 .001 .003 |
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FeM2 .2552 .0192 .2294 .6245 .011 .009 .016 .008 .001 .001 .003 |
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MnM2 .2552 .0192 .2294 .0206 .011 .009 .016 .008 .001 .001 .003 |
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CaM2 .2552 .0192 .2294 .1953 .011 .009 .016 .008 .001 .001 .003 |
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SiA .0426 .3405 .2761 .007 .006 .006 .010 -.001 .004 -.001 |
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SiB .5493 .8374 .2382 .006 .006 .005 .008 -.001 .003 -.001 |
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O1A .8673 .3383 .1685 .009 .007 .009 .010 .000 .002 .000 |
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O1B .3735 .8367 .1342 .009 .007 .009 .011 .000 .003 .001 |
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O2A .1215 .4994 .3316 .011 .012 .007 .014 -.026 .006 -.001 |
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O2B .6286 .9881 .3719 .014 .014 .011 .021 -.006 .011 -.008 |
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O3A .1042 .2605 .5758 .017 .007 .022 .021 .002 .004 .013 |
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O3B .6050 .7100 .4806 .013 .008 .017 .014 .000 .003 .006 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Pigeonite |
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Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
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Physics and Chemistry of Minerals 29 (2002) 331-340 |
|
Non-convergent ordering and displacive phase transition in pigeonite: |
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in situ HT XRD study |
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Sample: hgd, T = 650 C |
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Locality: from rhyodacite, Parana, Brazil |
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_database_code_amcsd 0008638 |
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9.801 9.008 5.296 90 109.01 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 .2502 .6532 .2397 .7529 .018 .019 .019 .016 .000 .003 .000 |
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FeM1 .2502 .6532 .2397 .2222 .018 .019 .019 .016 .000 .003 .000 |
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MnM1 .2502 .6532 .2397 .0072 .018 .019 .019 .016 .000 .003 .000 |
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CaM1 .2502 .6532 .2397 .0179 .018 .019 .019 .016 .000 .003 .000 |
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MgM2 .2528 .0188 .2382 .1699 .029 .029 .034 .020 .003 .002 .002 |
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FeM2 .2528 .0188 .2382 .6148 .029 .029 .034 .020 .003 .002 .002 |
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MnM2 .2528 .0188 .2382 .0202 .029 .029 .034 .020 .003 .002 .002 |
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CaM2 .2528 .0188 .2382 .1951 .029 .029 .034 .020 .003 .002 .002 |
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SiA .0435 .3398 .2703 .015 .014 .016 .016 -.001 .006 -.002 |
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SiB .5470 .8381 .2480 .014 .013 .015 .016 -.002 .005 -.001 |
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O1A .8691 .3381 .1609 .019 .014 .024 .019 .001 .005 .001 |
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O1B .3725 .8384 .1418 .020 .014 .023 .021 .001 .004 -.001 |
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O2A .1222 .4968 .3397 .025 .030 .017 .032 -.008 .014 -.003 |
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O2B .6262 .9905 .3632 .029 .030 .026 .032 -.011 .014 -.010 |
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O3A .1024 .2516 .5583 .035 .018 .052 .032 .003 .006 .023 |
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O3B .6031 .7222 .5045 .031 .021 .043 .029 .004 .009 .019 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Pigeonite |
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Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
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Physics and Chemistry of Minerals 29 (2002) 331-340 |
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Non-convergent ordering and displacive phase transition in pigeonite: |
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in situ HT XRD study |
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Sample: hgg, T = 750 C |
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_database_code_amcsd 0008639 |
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Locality: from rhyodacite, Parana, Brazil |
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9.824 9.017 5.309 90 109.19 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 .2502 .6530 .2429 .7267 .020 .021 .022 .018 .000 .005 .000 |
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FeM1 .2502 .6530 .2429 .2474 .020 .021 .022 .018 .000 .005 .000 |
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MnM1 .2502 .6530 .2429 .0080 .020 .021 .022 .018 .000 .005 .000 |
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CaM1 .2502 .6530 .2429 .0179 .020 .021 .022 .018 .000 .005 .000 |
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MgM2 .2520 .0187 .2414 .2008 .033 .033 .038 .022 .005 .002 .001 |
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FeM2 .2520 .0187 .2414 .5845 .033 .033 .038 .022 .005 .002 .001 |
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MnM2 .2520 .0187 .2414 .0194 .033 .033 .038 .022 .005 .002 .001 |
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CaM2 .2520 .0187 .2414 .1953 .033 .033 .038 .022 .005 .002 .001 |
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SiA .0439 .3396 .2681 .017 .016 .018 .017 -.002 .006 -.002 |
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SiB .5461 .8385 .2525 .016 .014 .016 .018 -.002 .005 -.001 |
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O1A .8696 .3380 .1587 .021 .012 .027 .021 .001 .003 -.002 |
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O1B .3724 .8393 .1453 .022 .019 .024 .023 .001 .006 .001 |
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O2A .1223 .4960 .3426 .029 .036 .019 .035 -.008 .016 -.003 |
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O2B .6256 .9913 .3597 .032 .031 .030 .036 -.012 .014 -.012 |
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O3A .1019 .2484 .5519 .038 .021 .058 .034 .006 .008 .026 |
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O3B .6034 .7273 .5162 .036 .022 .051 .036 .003 .010 .022 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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| |
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Pigeonite |
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Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
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Physics and Chemistry of Minerals 29 (2002) 331-340 |
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Non-convergent ordering and displacive phase transition in pigeonite: |
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in situ HT XRD study |
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Sample: hgi, T = 850 C |
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Locality: from rhyodacite, Parana, Brazil |
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_database_code_amcsd 0008640 |
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9.840 9.021 5.3184 90 109.35 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 .2499 .6526 .2463 .7108 .022 .023 .024 .019 .000 .005 -.003 |
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FeM1 .2499 .6526 .2463 .2625 .022 .023 .024 .019 .000 .005 -.003 |
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MnM1 .2499 .6526 .2463 .0085 .022 .023 .024 .019 .000 .005 -.003 |
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CaM1 .2499 .6526 .2463 .0182 .022 .023 .024 .019 .000 .005 -.003 |
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MgM2 .2514 .0187 .2458 .2137 .035 .036 .041 .024 .007 .003 -.002 |
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FeM2 .2514 .0187 .2458 .5722 .035 .036 .041 .024 .007 .003 -.002 |
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MnM2 .2514 .0187 .2458 .0189 .035 .036 .041 .024 .007 .003 -.002 |
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CaM2 .2514 .0187 .2458 .1952 .035 .036 .041 .024 .007 .003 -.002 |
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SiA .0445 .3390 .2659 .018 .017 .019 .019 -.003 .007 -.004 |
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SiB .5451 .8392 .2565 .017 .014 .019 .018 -.002 .005 .001 |
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O1A .8697 .3378 .1564 .023 .016 .029 .023 .001 .005 -.005 |
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O1B .3719 .8400 .1482 .024 .017 .029 .024 .001 .005 .004 |
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O2A .1237 .4959 .3460 .029 .035 .016 .036 -.010 .012 -.005 |
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O2B .6241 .9921 .3559 .036 .038 .036 .039 -.015 .020 -.011 |
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O3A .1019 .2429 .5446 .039 .020 .061 .035 .005 .006 .028 |
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O3B .6029 .7352 .5284 .041 .027 .058 .040 .002 .012 .024 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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| |
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Pigeonite |
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Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
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Physics and Chemistry of Minerals 29 (2002) 331-340 |
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Non-convergent ordering and displacive phase transition in pigeonite: |
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in situ HT XRD study |
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Sample: hgj, T = 950 C |
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Locality: from rhyodacite, Parana, Brazil |
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_database_code_amcsd 0008641 |
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9.849 9.018 5.323 90 109.44 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM1 0 .9020 .25 .6900 .024 .026 .025 .020 0 .006 0 |
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FeM1 0 .9020 .25 .2820 .024 .026 .025 .020 0 .006 0 |
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MnM1 0 .9020 .25 .0091 .024 .026 .025 .020 0 .006 0 |
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CaM1 0 .9020 .25 .0189 .024 .026 .025 .020 0 .006 0 |
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MgM2 0 .2688 .25 .2457 .037 .038 .043 .025 0 .003 0 |
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FeM2 0 .2688 .25 .5401 .037 .038 .043 .025 0 .003 0 |
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MnM2 0 .2688 .25 .0182 .037 .038 .043 .025 0 .003 0 |
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CaM2 0 .2688 .25 .1960 .037 .038 .043 .025 0 .003 0 |
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Si .2948 .0892 .2617 .019 .017 .019 .019 -.002 .006 -.002 |
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O1 .1207 .0889 .1522 .024 .018 .030 .024 .001 .005 -.001 |
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O2 .3735 .2446 .3497 .034 .039 .026 .040 -.013 .017 -.009 |
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O3 .3523 .0100 .0382 .042 .027 .061 .037 -.004 .010 -.027 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Pigeonite |
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Morimoto N, Appleman D E, Evans H T |
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Zeitschrift fur Kristallographie 114 (1960) 120-147 |
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The crystal structures of clinoenstatite and pigeonite |
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Locality: Asio Mine, Japan |
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_database_code_amcsd 0010588 |
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9.731 8.953 5.256 90 71.45 90 P2_1/c |
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atom x y z occ Biso |
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Ca1 .246 .981 .231 .2 .98 |
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Fe1 .246 .981 .231 .8 .98 |
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Fe2 .251 .344 .236 .32 .855 |
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Mg2 .251 .344 .236 .68 .855 |
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Si1 .453 .661 .274 .62 |
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Si2 .049 .662 .252 .765 |
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O1A .372 .168 .315 1.17 |
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O1B .127 .166 .161 .595 |
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O2A .378 .506 .323 .885 |
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O2B .125 .508 .147 1.085 |
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O3A .395 .773 .070 .51 |
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O3B .108 .782 -.006 .47 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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