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Phengite |
| |
Pavese A, Ferraris G, Prencipe M, Ibberson R |
| |
European Journal of Mineralogy 9 (1997) 1183-1190 |
|
Cation site ordering in phengite 3T from the Dora-Maira |
|
massif (western Alps): a variable-temperature neutron |
|
powder diffraction study |
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Note: at T = 893 K |
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Locality: Dora-Maira massif, western Alps |
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_database_code_amcsd 0006705 |
|
5.23169 5.23169 30.1227 90 90 120 P3_112 |
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atom x y z occ Uiso |
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K .127 .253 1/6 .063 |
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AlM2 .455 .227 0 .95 .012 |
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MgM2 .455 .227 0 .05 .012 |
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AlM3 .780 .890 0 .47 .044 |
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MgM3 .780 .890 0 .53 .044 |
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SiT1 .791 .583 .0922 .786 .016 |
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AlT1 .791 .583 .0922 .214 .016 |
|
SiT2 .472 .923 .0868 .027 |
|
O1 .750 .565 .0342 .030 |
|
O2 .492 .929 .0378 .025 |
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O3 .638 .763 .1115 .028 |
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O4 .126 .734 .1064 .048 |
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O5 .602 .240 .1129 .067 |
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O6 .124 .199 .0351 .040 |
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H .147 .387 .0379 .089 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Pavese A, Ferraris G, Pischedda V, Ibberson R |
| |
European Journal of Mineralogy 11 (1999) 309-320 |
|
Tetrahedral order in phengite 2M_1 upon heating, from powder |
|
neutron diffraction, and thermodynamic consequences |
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Sample: T = 293 K |
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Note: O5 z-coordinate altered. |
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_database_code_amcsd 0006768 |
|
5.21397 9.0521 19.9968 90 95.736 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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K 0 .0932 1/4 .94 .022 |
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Na 0 .0932 1/4 .03 .022 |
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AlM2 .2471 .0827 .0007 .835 .0252 |
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MgM2 .2471 .0827 .0007 .02 .0252 |
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FeM2 .2471 .0827 .0007 .17 .0252 |
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SiT1 .4649 .9299 .1351 .79 .018 |
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AlT1 .4649 .9299 .1351 .21 .018 |
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SiT2 .4543 .2581 .1366 .83 .015 |
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AlT2 .4543 .2581 .1366 .17 .015 |
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O1 .4310 .0931 .1680 .0257 |
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O2 .2415 .8180 .1599 .0358 |
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O3 .2406 .3623 .1692 .031 |
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O4 .4578 .9426 .0530 .026 |
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O5 .3917 .2519 .0540 .0169 |
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O6 .4604 .5645 .0511 .94 .026 |
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F6 .4604 .5645 .0511 .06 .026 |
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H .360 .652 .0569 .94 .079 .056 .083 .012 -.008 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Pavese A, Ferraris G, Pischedda V, Ibberson R |
| |
European Journal of Mineralogy 11 (1999) 309-320 |
|
Tetrahedral order in phengite 2M_1 upon heating, from powder |
|
neutron diffraction, and thermodynamic consequences |
|
Sample: T = 873 K |
|
_database_code_amcsd 0006769 |
|
5.23899 9.1048 20.2440 90 95.684 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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K 0 .088 1/4 .94 .049 |
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Na 0 .088 1/4 .03 .049 |
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AlM2 .2495 .0811 .0020 .835 .0333 |
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MgM2 .2495 .0811 .0020 .02 .0333 |
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FeM2 .2495 .0811 .0020 .17 .0333 |
|
SiT1 .4643 .9277 .1336 .62 .025 |
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AlT1 .4643 .9277 .1336 .38 .025 |
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SiT2 .4501 .2615 .1350 .015 |
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O1 .4516 .0952 .1676 .046 |
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O2 .2317 .8228 .1586 .054 |
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O3 .2326 .3534 .1688 .039 |
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O4 .4644 .9421 .0537 .043 |
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O5 .3943 .2530 .0546 .029 |
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O6 .4573 .5642 .0485 .94 .047 |
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F6 .4573 .5642 .0485 .06 .047 |
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H .366 .6464 .0650 .94 .19 .054 .23 .011 .03 .046 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Smyth J R, Jacobsen S D, Swope R J, Angel R J, Arlt T, Domanik K, Holloway J R |
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European Journal of Mineralogy 12 (2000) 955-963 |
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Crystal structures and compressibilities of synthetic 2M_1 and 3T phengite micas |
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Sample: synthetic 2M_1 |
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_database_code_amcsd 0006844 |
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5.2046 9.0368 19.886 90 95.615 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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K 0 .0936 .25 .964 .0314 .0303 .0271 .037 0 .0027 0 |
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AlM2 .2463 .08152 .00008 .588 .0144 .0167 .0116 .0146 .0002 .0004 .0005 |
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MgM2 .2463 .08152 .00008 .365 .0144 .0167 .0116 .0146 .0002 .0004 .0005 |
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FeM2 .2463 .08152 .00008 .019 .0144 .0167 .0116 .0146 .0002 .0004 .0005 |
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SiT1 .4619 .92804 .13519 .952 .0135 .0151 .0093 .0160 -.0003 .0009 .0002 |
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AlT1 .4619 .92804 .13519 .048 .0135 .0151 .0093 .0160 -.0003 .0009 .0002 |
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SiT2 .4524 .25805 .13522 .952 .0140 .0145 .0121 .0153 -.0003 .0009 .0002 |
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AlT2 .4524 .25805 .13522 .048 .0140 .0145 .0121 .0153 -.0003 .0009 .0002 |
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O1 .4601 .0931 .16892 .0187 .0235 .0124 .0201 -.0005 .0017 .0009 |
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O2 .2253 .8349 .16261 .0179 .0129 .0198 .0211 -.0038 .0021 -.0004 |
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O3 .2256 .3478 .16924 .0193 .0209 .0200 .0167 .0046 .0007 -.0011 |
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O4 .4530 .9349 .05491 .0182 .0183 .0198 .0166 -.0020 .0019 .0002 |
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O5 .4016 .2513 .05458 .0176 .0184 .0186 .0152 -.0003 -.0015 .0020 |
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Oh6 .4555 .5661 .05460 .6 .0261 .0354 .0205 .0228 .0067 .0043 -.0013 |
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F6 .4555 .5661 .05460 .4 .0261 .0354 .0205 .0228 .0067 .0043 -.0013 |
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H .395 .634 .058 .6 .023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Smyth J R, Jacobsen S D, Swope R J, Angel R J, Arlt T, Domanik K, Holloway J R |
| |
European Journal of Mineralogy 12 (2000) 955-963 |
|
Crystal structures and compressibilities of synthetic 2M_1 and 3T phengite micas |
|
Sample: synthetic 3T |
|
_database_code_amcsd 0006845 |
|
5.2110 5.2110 29.689 90 90 120 P3_112 |
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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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K .1239 .2477 1/6 .0347 .0280 .038 .0413 .0191 -.0018 0 |
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AlM2 -.1975 -.09875 0 .403 .0124 .0122 .0122 .0128 .0061 0 -.0006 |
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MgM2 -.1975 -.09875 0 .25 .0124 .0122 .0122 .0128 .0061 0 -.0006 |
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FeM2 -.1975 -.09875 0 .013 .0124 .0122 .0122 .0128 .0061 0 -.0006 |
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AlM3 .4550 .2275 0 .403 .0175 .015 .0131 .025 .0075 0 .001 |
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MgM3 .4550 .2275 0 .25 .0175 .015 .0131 .025 .0075 0 .001 |
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FeM3 .4550 .2275 0 .013 .0175 .015 .0131 .025 .0075 0 .001 |
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SiT1 .7900 .5815 .0903 .952 .0159 .0182 .0219 .0069 .0106 -.0012 .0005 |
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AlT1 .7900 .5815 .0903 .048 .0159 .0182 .0219 .0069 .0106 -.0012 .0005 |
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SiT2 .4714 .9221 .0900 .952 .0115 .0014 .0014 .029 -.0011 -.0011 -.0009 |
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AlT2 .4714 .9221 .0900 .048 .0115 .0014 .0014 .029 -.0011 -.0011 -.0009 |
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O1 .7564 .5698 .0361 .016 .008 .008 .022 -.004 .001 .001 |
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O2 .4973 .9267 .0367 .019 .018 .011 .018 -.001 -.000 .005 |
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O3 .6411 .7568 .1129 .021 .016 .028 .026 .016 -.002 -.003 |
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O4 .1273 .7350 .1092 .017 .015 .015 .021 -.011 .001 .001 |
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O5 .616 .252 .1124 .025 .042 .030 .021 .032 -.002 -.001 |
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Oh6 .133 .198 .0363 .6 .024 .032 .029 .023 .022 -.002 -.003 |
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F6 .133 .198 .0363 .4 .024 .032 .029 .023 .022 -.002 -.003 |
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H .076 .280 .039 .6 .03 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of |
|
phengite-2M_1: an in situ neutron diffraction and FTIR study |
|
Sample: T = 20 C |
|
_database_code_amcsd 0006872 |
|
5.2173 9.0493 19.989 90 95.734 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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K 0 .087 .25 .475 .022 |
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Na 0 .087 .25 .025 .022 |
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Al .242 .0834 .0009 .76 .005 |
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Mg .242 .0834 .0009 .10 .005 |
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Fe .242 .0934 .0009 .14 .005 |
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SiT1 .462 .925 .1350 .81 .015 |
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AlT1 .462 .925 .1350 .19 .015 |
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SiT2 .452 .260 .1377 .81 .006 |
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AlT2 .452 .260 .1377 .19 .006 |
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O1 .457 .9398 .0513 .013 |
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O2 .394 .2536 .0521 .011 |
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O3 .454 .5620 .0520 .98 .012 |
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F3 .454 .5620 .0520 .02 .012 |
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O4 .429 .0955 .1688 .019 |
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O5 .231 .8205 .1591 .028 |
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O6 .248 .3644 .1693 .016 |
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H1 .350 .656 .052 .98 .061 .047 .043 .048 .053 .035 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T = 100 C |
|
_database_code_amcsd 0006873 |
|
5.2196 9.0550 20.010 90 95.746 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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K 0 .097 .25 .475 .024 |
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Na 0 .097 .25 .025 .024 |
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Al .236 .0814 -.0017 .76 .011 |
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Mg .236 .0814 -.0017 .10 .011 |
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Fe .236 .0814 -.0017 .14 .011 |
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SiT1 .459 .921 .1347 .81 .027 |
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AlT1 .459 .921 .1347 .19 .027 |
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SiT2 .453 .261 .1362 .81 .007 |
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AlT2 .453 .261 .1362 .19 .007 |
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O1 .455 .9425 .0522 .013 |
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O2 .394 .2559 .0542 .008 |
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O3 .459 .5610 .0509 .98 .014 |
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F3 .459 .5610 .0509 .02 .014 |
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O4 .436 .0957 .1687 .015 |
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O5 .237 .8209 .1594 .028 |
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O6 .246 .3601 .1704 .012 |
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H1 .342 .647 .056 .98 .081 .047 .086 .047 .044 .003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T = 200 C |
|
_database_code_amcsd 0006874 |
|
5.2230 9.0618 20.044 90 95.738 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) |
|
K 0 .095 .25 .475 .029 |
|
Na 0 .095 .25 .025 .029 |
|
Al .236 .0811 -.0014 .76 .014 |
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Mg .236 .0811 -.0014 .10 .014 |
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Fe .236 .0811 -.0014 .14 .014 |
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SiT1 .458 .920 .1335 .81 .032 |
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AlT1 .458 .920 .1335 .19 .032 |
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SiT2 .454 .261 .1363 .81 .007 |
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AlT2 .454 .261 .1363 .19 .007 |
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O1 .455 .9420 .0523 .015 |
|
O2 .394 .2572 .0541 .009 |
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O3 .462 .5605 .0507 .98 .015 |
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F3 .462 .5605 .0507 .02 .015 |
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O4 .437 .0960 .1682 .017 |
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O5 .231 .8227 .1593 .030 |
|
O6 .246 .3587 .1703 .013 |
|
H1 .339 .647 .057 .98 .083 .060 .084 .058 .046 -.002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T1 = 300 degrees C |
|
_database_code_amcsd 0006875 |
|
5.2276 9.0701 20.083 90 95.726 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .097 .25 .475 .038 |
|
Na 0 .097 .25 .025 .038 |
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Al .235 .0808 -.0010 .76 .016 |
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Mg .235 .0808 -.0010 .10 .016 |
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Fe .235 .0808 -.0010 .14 .016 |
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SiT1 .457 .922 .1327 .81 .029 |
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AlT1 .457 .922 .1327 .19 .029 |
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SiT2 .453 .262 .1362 .81 .005 |
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AlT2 .453 .262 .1362 .19 .005 |
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O1 .458 .9434 .0532 .022 |
|
O2 .395 .2566 .0545 .013 |
|
O3 .460 .5609 .0511 .98 .022 |
|
F3 .460 .5609 .0511 .02 .022 |
|
O4 .439 .0960 .1677 .021 |
|
O5 .230 .8252 .1588 .032 |
|
O6 .246 .3578 .1714 .020 |
|
H1 .338 .646 .057 .98 .104 .043 .071 .057 .027 .001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T2 = 300 degrees C |
|
_database_code_amcsd 0006876 |
|
5.2279 9.0745 20.096 90 95.727 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .098 .25 .475 .044 |
|
Na 0 .098 .25 .025 .044 |
|
Al .236 .0807 -.0012 .76 .018 |
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Mg .236 .0807 -.0012 .10 .018 |
|
Fe .236 .0807 -.0012 .14 .018 |
|
SiT1 .457 .924 .1328 .81 .034 |
|
AlT1 .457 .924 .1328 .19 .034 |
|
SiT2 .452 .263 .1355 .81 .008 |
|
AlT2 .452 .263 .1355 .19 .008 |
|
O1 .458 .9430 .0521 .019 |
|
O2 .394 .2555 .0548 .016 |
|
O3 .459 .5607 .0507 .98 .026 |
|
F3 .459 .5607 .0507 .02 .026 |
|
O4 .442 .0958 .1686 .025 |
|
O5 .231 .8243 .1579 .033 |
|
O6 .243 .3574 .1711 .020 |
|
H1 .343 .643 .058 .98 .109 .052 .100 .060 .011 .002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T1 = 400 degrees C |
|
_database_code_amcsd 0006877 |
|
5.2321 9.0784 20.125 90 95.715 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .096 .25 .475 .048 |
|
Na 0 .096 .25 .025 .048 |
|
Al .233 .0795 -.0008 .76 .017 |
|
Mg .233 .0795 -.0008 .10 .017 |
|
Fe .233 .0795 -.0008 .14 .017 |
|
SiT1 .456 .921 .1332 .81 .032 |
|
AlT1 .456 .921 .1332 .19 .032 |
|
SiT2 .451 .263 .1346 .81 .008 |
|
AlT2 .451 .263 .1346 .19 .008 |
|
O1 .458 .9438 .0524 .023 |
|
O2 .395 .2571 .0543 .015 |
|
O3 .459 .5607 .0507 .98 .026 |
|
F3 .459 .5607 .0507 .02 .026 |
|
O4 .441 .0964 .1678 .026 |
|
O5 .227 .8269 .1582 .031 |
|
O6 .243 .3566 .1718 .023 |
|
H1 .339 .644 .057 .98 .124 .052 .115 .068 .058 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T2 = 400 degrees C |
|
_database_code_amcsd 0006878 |
|
5.2324 9.0787 20.129 90 95.718 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .098 .25 .475 .042 |
|
Na 0 .098 .25 .025 .042 |
|
Al .236 .0822 -.0012 .76 .016 |
|
Mg .236 .0822 -.0012 .10 .016 |
|
Fe .236 .0822 -.0012 .14 .016 |
|
SiT1 .455 .922 .1321 .81 .032 |
|
AlT1 .455 .922 .1321 .19 .032 |
|
SiT2 .452 .264 .1353 .81 .009 |
|
AlT2 .452 .264 .1353 .19 .009 |
|
O1 .460 .9435 .0520 .021 |
|
O2 .395 .2574 .0542 .014 |
|
O3 .457 .5608 .0501 .98 .018 |
|
F3 .457 .5608 .0501 .02 .018 |
|
O4 .439 .0968 .1676 .026 |
|
O5 .226 .8264 .1583 .031 |
|
O6 .243 .3567 .1718 .021 |
|
H1 .338 .644 .059 .98 .149 .058 .136 .077 .083 .008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T1 = 500 degrees C |
|
_database_code_amcsd 0006879 |
|
5.2360 9.0862 20.169 90 95.707 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .095 .25 .475 .052 |
|
Na 0 .095 .25 .025 .052 |
|
Al .234 .0797 -.0007 .76 .018 |
|
Mg .234 .0797 -.0007 .10 .018 |
|
Fe .234 .0797 -.0007 .14 .018 |
|
SiT1 .456 .920 .1330 .81 .034 |
|
AlT1 .456 .920 .1330 .19 .034 |
|
SiT2 .451 .264 .1342 .81 .008 |
|
AlT2 .451 .264 .1342 .19 .008 |
|
O1 .458 .9439 .0521 .028 |
|
O2 .395 .257 .0544 .016 |
|
O3 .460 .5617 .0510 .98 .026 |
|
F3 .460 .5617 .0510 .02 .026 |
|
O4 .443 .0969 .1675 .030 |
|
O5 .225 .8283 .1581 .032 |
|
O6 .242 .3547 .1713 .025 |
|
H1 .342 .645 .059 .98 .141 .048 .145 .070 .062 .017 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T2 = 500 degrees C |
|
_database_code_amcsd 0006880 |
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5.2356 9.0893 20.177 90 95.707 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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K 0 .093 .25 .475 .056 |
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Na 0 .093 .25 .025 .056 |
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Al .236 .0804 -.0009 .76 .021 |
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Mg .236 .0804 -.0009 .10 .021 |
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Fe .236 .0804 -.0009 .14 .021 |
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SiT1 .455 .922 .1317 .81 .036 |
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AlT1 .455 .922 .1317 .19 .036 |
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SiT2 .450 .264 .1340 .81 .012 |
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AlT2 .450 .264 .1340 .19 .012 |
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O1 .459 .9447 .0533 .029 |
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O2 .394 .2560 .0545 .018 |
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O3 .459 .5609 .0505 .98 .029 |
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F3 .459 .5609 .0505 .02 .029 |
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O4 .446 .0969 .1686 .031 |
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O5 .226 .8268 .1577 .034 |
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O6 .241 .3548 .1710 .028 |
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H1 .344 .641 .059 .98 .132 .044 .178 .059 .038 .004 |
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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) |
| |
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Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T = 600 C |
|
_database_code_amcsd 0006881 |
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5.2356 9.0893 20.177 90 95.707 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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K 0 .093 .25 .475 .056 |
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Na 0 .093 .25 .025 .056 |
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Al .236 .0805 -.0009 .76 .021 |
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Mg .236 .0805 -.0009 .10 .021 |
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Fe .236 .0805 -.0009 .14 .021 |
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SiT1 .455 .922 .1316 .81 .036 |
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AlT1 .455 .922 .1316 .19 .036 |
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SiT2 .450 .264 .1339 .81 .012 |
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AlT2 .450 .264 .1339 .19 .012 |
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O1 .459 .9447 .0534 .029 |
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O2 .394 .2560 .0545 .019 |
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O3 .459 .5608 .0505 .98 .029 |
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F3 .459 .5608 .0505 .02 .029 |
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O4 .446 .0969 .1687 .031 |
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O5 .226 .8268 .1577 .034 |
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O6 .241 .3548 .1710 .028 |
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H1 .344 .641 .059 .98 .133 .044 .180 .060 .037 .002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T = 650 C |
|
_database_code_amcsd 0006882 |
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5.2412 9.0983 20.242 90 95.690 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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K 0 .090 .25 .475 .063 |
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Na 0 .090 .25 .025 .063 |
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Al .235 .0807 -.0009 .76 .022 |
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Mg .235 .0807 -.0009 .10 .022 |
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Fe .235 .0807 -.0009 .14 .022 |
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SiT1 .455 .921 .1320 .81 .036 |
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AlT1 .455 .921 .1320 .19 .036 |
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SiT2 .451 .265 .1335 .81 .014 |
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AlT2 .451 .265 .1335 .19 .014 |
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O1 .460 .9443 .0531 .032 |
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O2 .394 .2571 .0540 .020 |
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O3 .459 .5610 .0499 .98 .031 |
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F3 .459 .5610 .0499 .02 .031 |
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O4 .450 .0979 .1687 .037 |
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O5 .224 .8282 .1578 .037 |
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O6 .239 .3537 .1700 .033 |
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H1 .341 .642 .057 .98 .177 .037 .220 .069 .103 .019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite |
| |
Mookherjee M, Redfern S A T, Zhang M |
| |
European Journal of Mineralogy 13 (2001) 545-555 |
|
Thermal response of structure and hydroxyl ion of phengite-2M_1: |
|
an in situ neutron diffraction and FTIR study |
|
Sample: T = 700 C |
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Note: y-coordinate altered |
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_database_code_amcsd 0006883 |
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5.2328 9.0948 20.207 90 95.694 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) |
|
K 0 .088 .25 .475 .064 |
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Na 0 .088 .25 .025 .064 |
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Al .234 .0799 -.0004 .76 .022 |
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Mg .234 .0799 -.0004 .10 .022 |
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Fe .234 .0799 -.0004 .14 .022 |
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SiT1 .456 .922 .1317 .81 .042 |
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AlT1 .456 .922 .1317 .19 .042 |
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SiT2 .449 .264 .1324 .81 .013 |
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AlT2 .449 .264 .1324 .19 .013 |
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O1 .461 .9446 .0541 .030 |
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O2 .393 .2565 .0539 .020 |
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O3 .457 .5609 .0494 .98 .027 |
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F3 .457 .5609 .0494 .02 .027 |
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O4 .450 .0983 .1692 .036 |
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O5 .226 .8266 .1574 .036 |
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O6 .239 .3549 .1704 .034 |
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H1 .347 .642 .057 .98 .200 .028 .240 .064 .099 .017 |
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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) |
| |
|
Phengite-3T |
| |
Ivaldi G, Ferraris G, Curetti N, Compagnoni R |
| |
European Journal of Mineralogy 13 (2001) 1025-1034 |
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Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): |
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Chemical and polytypic zoning and structural characterisation |
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Sample: 3TY |
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Locality: Cima Pal, Val Savenca, western Alps |
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_database_code_amcsd 0006912 |
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5.220 5.220 29.762 90 90 120 P3_112 |
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atom x y z occ Uiso |
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KI .1281 .2562 1/6 .9 .0254 |
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NaI .1281 .2562 1/6 .05 .0254 |
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AlM2 .7969 .8984 0 .755 .0101 |
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MgM2 .7969 .8984 0 .16 .0101 |
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FeM2 .7969 .8984 0 .09 .0101 |
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TiM2 .7969 .8984 0 .015 .0101 |
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AlM3 .4559 .2280 0 .755 .0108 |
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MgM3 .4559 .2280 0 .16 .0108 |
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FeM3 .4559 .2280 0 .09 .0108 |
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TiM3 .4559 .2280 0 .015 .0108 |
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SiT1 .7863 .5813 .09037 .85 .0086 |
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AlT1 .7863 .5813 .09037 .15 .0086 |
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SiT2 .4681 .9216 .09037 .85 .0094 |
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AlT2 .4681 .9216 .09037 .15 .0094 |
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O1 .6570 .7797 .1131 .0167 |
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O2 .1274 .7133 .1071 .0186 |
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O3 .5967 .2503 .1127 .0168 |
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O4 .7512 .5674 .0360 .0137 |
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O5 .5033 .9412 .0361 .0137 |
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O6 .1245 .1908 .0348 .0146 |
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H .14 .32 .038 .07 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite-3T |
| |
Ivaldi G, Ferraris G, Curetti N, Compagnoni R |
| |
European Journal of Mineralogy 13 (2001) 1025-1034 |
|
Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): |
|
Chemical and polytypic zoning and structural characterisation |
|
Sample: 3TG |
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Locality: Cima Pal, Val Savenca, western Alps |
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_database_code_amcsd 0006913 |
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5.228 5.228 29.73 90 90 120 P3_112 |
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atom x y z occ Uiso |
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KI .1269 .2539 1/6 .95 .0261 |
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NaI .1269 .2539 1/6 .01 .0261 |
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AlM2 .7987 .8994 0 .7 .0086 |
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MgM2 .7987 .8994 0 .17 .0086 |
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FeM2 .7987 .8994 0 .135 .0086 |
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TiM2 .7987 .8994 0 .015 .0086 |
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AlM3 .4535 .2268 0 .7 .0114 |
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MgM3 .4535 .2268 0 .17 .0114 |
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FeM3 .4535 .2268 0 .135 .0114 |
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TiM3 .4535 .2268 0 .015 .0114 |
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SiT1 .7863 .5809 .09037 .875 .0088 |
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AlT1 .7863 .5809 .09037 .125 .0088 |
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SiT2 .4680 .9210 .09037 .875 .0081 |
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AlT2 .4680 .9210 .09037 .125 .0081 |
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O1 .6477 .7696 .1130 .0160 |
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O2 .1260 .7238 .1079 .0177 |
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O3 .6047 .2501 .1125 .0171 |
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O4 .7530 .5672 .0361 .0147 |
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O5 .4989 .9360 .0362 .0132 |
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O6 .1222 .1911 .0352 .0192 |
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H .15 .32 .036 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite-2M1 |
| |
Ivaldi G, Ferraris G, Curetti N, Compagnoni R |
| |
European Journal of Mineralogy 13 (2001) 1025-1034 |
|
Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): |
|
Chemical and polytypic zoning and structural characterisation |
|
Sample: 2M1Y |
|
Locality: Cima Pal, Val Savenca, western Alps |
|
_database_code_amcsd 0006914 |
|
5.2132 9.051 19.937 90 95.76 90 C2/c |
|
atom x y z occ Uiso |
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KI 0 .09634 1/4 .98 .0237 |
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NaI 0 .09634 1/4 .02 .0237 |
|
AlM2 .24717 .08247 .00002 .775 .00824 |
|
MgM2 .24717 .08247 .00002 .12 .00824 |
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FeM2 .24717 .08247 .00002 .105 .00824 |
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TiM2 .24717 .08247 .00002 .01 .00824 |
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SiT1 .46378 .92929 .13547 .845 .0071 |
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AlT1 .46378 .92929 .13547 .155 .0071 |
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SiT2 .45205 .25865 .13551 .845 .0073 |
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AlT2 .45205 .25865 .13551 .155 .0073 |
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O1 .4416 .0933 .16885 .0153 |
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O2 .2363 .8251 .16046 .0169 |
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O3 .2362 .3579 .16927 .0153 |
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O4 .4576 .9393 .05396 .0123 |
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O5 .3928 .25151 .05397 .0124 |
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O6 .4559 .5641 .05222 .0154 |
|
H .380 .635 .056 .039 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phengite-2M1 |
| |
Ivaldi G, Ferraris G, Curetti N, Compagnoni R |
| |
European Journal of Mineralogy 13 (2001) 1025-1034 |
|
Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): |
|
Chemical and polytypic zoning and structural characterisation |
|
Sample: 2M1G |
|
Locality: Cima Pal, Val Savenca, western Alps |
|
_database_code_amcsd 0006915 |
|
5.225 9.057 19.956 90 95.73 90 C2/c |
|
atom x y z occ Uiso |
|
KI 0 .09564 1/4 .99 .0254 |
|
NaI 0 .09564 1/4 .02 .0254 |
|
AlM2 .24663 .08226 .00003 .71 .0081 |
|
MgM2 .24663 .08226 .00003 .165 .0081 |
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FeM2 .24663 .08226 .00003 .12 .0081 |
|
TiM2 .24663 .08226 .00003 .02 .0081 |
|
SiT1 .46349 .92899 .13551 .8625 .0083 |
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AlT1 .46349 .92899 .13551 .1375 .0083 |
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SiT2 .45222 .25859 .13555 .8625 .0092 |
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AlT2 .45222 .25859 .13555 .1375 .0092 |
|
O1 .4469 .0934 .16886 .0159 |
|
O2 .2333 .8279 .16095 .0171 |
|
O3 .2329 .3552 .16929 .0161 |
|
O4 .4567 .9386 .05410 .0132 |
|
O5 .3946 .2515 .05413 .0133 |
|
O6 .4557 .5646 .05271 .0177 |
|
H .378 .629 .058 .07 |
|
|
| 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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