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Berlinite |
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Onac B P, Effenberger H S |
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American Mineralogist 92 (2007) 1998-2001 |
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Re-examination of berlinite (AlPO4) from the Cioclovina Cave, Romania |
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Locality: Cioclovina Cave, Romania |
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4.9458 4.9458 10.9526 90 90 120 *P3_121 |
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0 0 1/3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al .46649 0 1/3 .01073 .01152 .00976 .01031 .00488 -.000215 -.00043 |
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P .46689 0 5/6 .01111 .01225 .00970 .01054 .00485 -.000155 -.00031 |
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O1 .4157 .2911 .39763 .01740 .0228 .0166 .0160 .0122 -.0028 -.00438 |
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O2 .4150 .2575 .88400 .01733 .0225 .0161 .0172 .0125 -.0041 -.0048 |
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Berlinite |
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Muraoka Y, Kihara K |
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Physics and Chemistry of Minerals 24 (1997) 243-253 |
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The temperature dependence of the crystal structure of berlinite, |
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a quartz-type form of AlPO4 |
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Sample: T = 25 C |
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4.9438 4.9438 10.9498 90 90 120 *P3_221 |
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0 0 .333333333333333 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .46646 0 1/3 .0079 .00939 .00740 .00124 .00370 .000045 .00009 |
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P .46690 0 5/6 .0079 .00960 .00704 .00121 .00352 .00007 .00014 |
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O1 .41637 .29187 .26921 .0145 .02135 .01449 .00221 .01175 .00132 .00194 |
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O2 .41549 .25741 .78285 .0143 .02046 .01395 .00242 .01175 .00188 .00188 |
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Berlinite |
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Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
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The temperature dependence of the crystal structure of berlinite, |
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a quartz-type form of AlPO4 |
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Sample: T = 92 C |
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4.949 4.949 10.955 90 90 120 *P3_221 |
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0 0 .333333333333333 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .46723 0 1/3 .0095 .01146 .00862 .00145 .00431 .00006 .00012 |
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P .46778 0 5/6 .0095 .01163 .00839 .00147 .004195 .000075 .00015 |
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O1 .41642 .28996 .26852 .0177 .02584 .01841 .00266 .01441 .00165 .00248 |
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O2 .41583 .25543 .78216 .0175 .02519 .01730 .00295 .01455 .00225 .00282 |
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Berlinite |
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Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
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The temperature dependence of the crystal structure of berlinite, |
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a quartz-type form of AlPO4 |
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Sample: T = 183 C |
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4.9580 4.9580 10.967 90 90 120 *P3_221 |
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0 0 .333333333333333333 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .46847 0 1/3 .0117 .01406 .01066 .00177 .00533 .00009 .00018 |
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P .46921 0 5/6 .0117 .01421 .01020 .00183 .0051 .000085 .00017 |
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O1 .41669 .28767 .26786 .0221 .03233 .02248 .00334 .01788 .00190 .00324 |
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O2 .41639 .25352 .78127 .0221 .03207 .02194 .00367 .01860 .00289 .00374 |
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Berlinite |
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Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
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The temperature dependence of the crystal structure of berlinite, |
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a quartz-type form of AlPO4 |
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Sample: T = 275 C |
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4.9688 4.9688 10.979 90 90 120 *P3_221 |
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0 0 .333333333333333333 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .46968 0 1/3 .0136 .01659 .01203 .00206 .006015 .00005 .00010 |
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P .47062 0 5/6 .0139 .01670 .01189 .00218 .005945 .000105 .00021 |
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O1 .41512 .28383 .26684 .0265 .03821 .02724 .00410 .02190 .00221 .00389 |
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O2 .41522 .24967 .78012 .0263 .03776 .02572 .00438 .02170 .00348 .00466 |
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View JMOL 3-D Structure
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Berlinite |
|
Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
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The temperature dependence of the crystal structure of berlinite, |
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a quartz-type form of AlPO4 |
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Sample: T = 366 C |
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4.9799 4.9799 10.992 90 90 120 *P3_221 |
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0 0 .3333333333333333333 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .47197 0 1/3 .0157 .01895 .01376 .00239 .00688 .00006 .00012 |
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P .47297 0 5/6 .0160 .01904 .01352 .00252 .00676 .00011 .00022 |
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O1 .41817 .28207 .26579 .0319 .04522 .03167 .00491 .02458 .00203 .00488 |
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O2 .41883 .24777 .77907 .0318 .04451 .03122 .00535 .02597 .00394 .00600 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Berlinite |
|
Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
|
The temperature dependence of the crystal structure of berlinite, |
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a quartz-type form of AlPO4 |
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Sample: T = 458 C |
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4.9939 4.9939 11.010 90 90 120 *P3_221 |
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0 0 .333333333333333333333 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .47471 0 1/3 .0184 .0222 .01606 .00276 .00803 .00004 .00008 |
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P .47573 0 5/6 .0189 .02253 .01591 .00295.007955 .00011 .00022 |
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O1 .41851 .27687 .26408 .0383 .05164 .03905 .00597 .02895 .00224 .00644 |
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O2 .41907 .24246 .77708 .0384 .05162 .03937 .00657 .03172 .00493 .00791 |
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View JMOL 3-D Structure
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Berlinite |
|
Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
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The temperature dependence of the crystal structure of berlinite, |
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a quartz-type form of AlPO4 |
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Sample: T = 486 C |
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5.000 5.000 11.016 90 90 120 *P3_221 |
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0 0 .33333333333333333333 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .47594 0 1/3 .0193 .02345 .01668 .00286 .00834 .00000 .00000 |
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P .47691 0 5/6 .0199 .02377 .01678 .00309 .00839 .000095 .00019 |
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O1 .41835 .27419 .26318 .0407 .05277 .04235 .00646 .03009 .00240 .00737 |
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O2 .41923 .23986 .77613 .0408 .05393 .04190 .00712 .03363 .00492 .00875 |
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View JMOL 3-D Structure
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Berlinite |
|
Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
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The temperature dependence of the crystal structure of berlinite, |
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a quartz-type form of AlPO4 |
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Sample: T = 523 C |
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5.0017 5.0017 11.019 90 90 120 *P3_221 |
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0 0 .33333333333333333333 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .47715 0 1/3 .0209 .02437 .01962 .00314 .00981 .000095 .00019 |
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P .47804 0 5/6 .0213 .02503 .01792 .00339 .00896 .000115 .00023 |
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O1 .41882 .27346 .26235 .0430 .05880 .04381 .00657 .03277 .00189 .00725 |
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O2 .42018 .23894 .77500 .0422 .05362 .04411 .00718 .03264 .00442 .00915 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Berlinite |
|
Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
|
The temperature dependence of the crystal structure of berlinite, |
|
a quartz-type form of AlPO4 |
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Sample: T = 568 C |
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5.017 5.017 11.038 90 90 120 *P3_221 |
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0 0 .33333333333333333333 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .48087 0 1/3 .0233 .02728 .02229 .00336 .011145 .00018 .00036 |
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P .48222 0 5/6 .0240 .02772 .02031 .00384 .010155 .00019 .00038 |
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O1 .41927 .26538 .25905 .050 .06295 .05092 .00797 .03577 .00084 .00982 |
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O2 .42049 .23108 .77164 .051 .06013 .05625 .00846 .03766 .00552 .01193 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Berlinite |
|
Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
|
The temperature dependence of the crystal structure of berlinite, |
|
a quartz-type form of AlPO4 |
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Sample: T = 585 C |
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5.0387 5.0387 11.061 90 90 120 *P6_222 |
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0 0 .166666666666666666 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .5 0 1/3 .028 .03447 .02626 .00384 .01313 0 0 |
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P .5 0 5/6 .029 .03508 .02586 .00405 .01293 0 0 |
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O .41988 .22792 .24394 .067 .06771 .07003 .01110 .03440 -.00300 .01494 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Berlinite |
|
Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
|
The temperature dependence of the crystal structure of berlinite, |
|
a quartz-type form of AlPO4 |
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Sample: T = 589 C |
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5.040 5.040 11.063 90 90 120 *P6_222 |
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0 0 .166666666666666666 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .5 0 1/3 .029 .03459 .02754 .00393 .01377 0 0 |
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P .5 0 5/6 .029 .03469 .03469 .00412 .017345 0 0 |
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O .42006 .22842 .24423 .069 .06899 .07077 .01135 .03490 -.00309 .01506 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Berlinite |
|
Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
|
The temperature dependence of the crystal structure of berlinite, |
|
a quartz-type form of AlPO4 |
|
Sample: T = 598 C |
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5.040 5.040 11.061 90 90 120 *P6_222 |
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0 0 .166666666666666666 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .5 0 1/3 .029 .03529 .02830 .00380 .01415 0 0 |
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P .5 0 5/6 .029 .03420 .02573 .00424 .012865 0 0 |
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O .41998 .22798 .24406 .068 .06918 .07131 .01122 .03530 -.00364 .01476 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Berlinite |
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Muraoka Y, Kihara K |
| |
Physics and Chemistry of Minerals 24 (1997) 243-253 |
|
The temperature dependence of the crystal structure of berlinite, |
|
a quartz-type form of AlPO4 |
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Sample: T = 612 C |
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5.0401 5.0401 11.063 90 90 120 *P6_222 |
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0 0 .166666666666666666 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .5 0 1/3 .030 .03636 .02562 .00406 .01281 0 0 |
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P .5 0 5/6 .030 .03432 .02919 .00427 .014595 0 0 |
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O .42024 .22883 .24458 .068 .06989 .07179 .01139 .03676 -.00280 .01488 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Berlinite |
|
Muraoka Y, Kihara K |
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Physics and Chemistry of Minerals 24 (1997) 243-253 |
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The temperature dependence of the crystal structure of berlinite, |
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a quartz-type form of AlPO4 |
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Sample: T = 631 C |
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5.0402 5.0402 11.063 90 90 120 *P6_222 |
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0 0 .166666666666666666 |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .5 0 1/3 .030 .03665 .02542 .00404 .01271 0 0 |
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P .5 0 5/6 .030 .03344 .02965 .00434 .014825 0 0 |
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O .42005 .22856 .24429 .069 .07049 .06994 .01149 .03572 -.00269 .01519 |
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View JMOL 3-D Structure
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Berlinite |
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Christie D M, Chelikowsky J R |
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Physics and Chemistry of Minerals 25 (1998) 222-226 |
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Structural properties of alpha-berlinite (AlPO4) |
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Sample: V = 77.16, theoretical |
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4.9414 4.9414 10.947 90 90 120 *P3_121 |
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0 0 .333333333 |
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atom x y z |
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Al .4663 0 0 |
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P .4665 0 .5 |
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O1 .4170 .2920 .0640 |
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O2 .4160 .2590 .5507 |
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View JMOL 3-D Structure
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Berlinite |
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Christie D M, Chelikowsky J R |
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Physics and Chemistry of Minerals 25 (1998) 222-226 |
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Structural properties of alpha-berlinite (AlPO4) |
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Sample: V = 75.00, theoretical |
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4.8955 4.8955 10.841 90 90 120 *P3_121 |
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0 0 .333333333 |
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atom x y z |
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Al .4630 0 0 |
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P .4635 0 .5 |
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O1 .4145 .2975 .0616 |
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O2 .4135 .2640 .5482 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Berlinite |
|
Christie D M, Chelikowsky J R |
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Physics and Chemistry of Minerals 25 (1998) 222-226 |
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Structural properties of alpha-berlinite (AlPO4) |
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Sample: V = 72.50, theoretical |
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4.8335 4.8335 10.750 90 90 120 *P3_121 |
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0 0 .333333333 |
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atom x y z |
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Al .4596 0 0 |
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P .4607 0 .5 |
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O1 .4100 .3027 .0592 |
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O2 .4119 .2708 .5450 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
Berlinite |
|
Christie D M, Chelikowsky J R |
| |
Physics and Chemistry of Minerals 25 (1998) 222-226 |
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Structural properties of alpha-berlinite (AlPO4) |
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Sample: V = 71.09, theoretical |
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4.7962 4.7962 10.705 90 90 120 *P3_121 |
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0 0 .333333333 |
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atom x y z |
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Al .4585 0 0 |
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P .4584 0 .5 |
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O1 .4084 .3060 .0581 |
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O2 .4101 .2742 .5435 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Berlinite |
|
Christie D M, Chelikowsky J R |
| |
Physics and Chemistry of Minerals 25 (1998) 222-226 |
|
Structural properties of alpha-berlinite (AlPO4) |
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Sample: V = 69.45, theoretical |
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4.7463 4.7463 10.679 90 90 120 *P3_121 |
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0 0 .333333333 |
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atom x y z |
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Al .4556 0 0 |
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P .4556 0 .5 |
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O1 .4066 .3093 .0572 |
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O2 .4067 .2780 .5421 |
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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
|
| |
|
Berlinite |
|
Christie D M, Chelikowsky J R |
| |
Physics and Chemistry of Minerals 25 (1998) 222-226 |
|
Structural properties of alpha-berlinite (AlPO4) |
|
Sample: V = 65.59, theoretical |
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4.6314 4.6314 10.593 90 90 120 *P3_121 |
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0 0 .333333333 |
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atom x y z |
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Al .4451 0 0 |
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P .4466 0 .5 |
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O1 .4017 .3207 .0547 |
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O2 .3986 .2883 .5387 |
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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
|
| |
|
Berlinite |
|
Christie D M, Chelikowsky J R |
| |
Physics and Chemistry of Minerals 25 (1998) 222-226 |
|
Structural properties of alpha-berlinite (AlPO4) |
|
Sample: V = 61.73, theoretical |
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4.5191 4.5191 10.471 90 90 120 *P3_121 |
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0 0 .333333333 |
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atom x y z |
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Al .4412 0 0 |
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P .4373 0 .5 |
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O1 .3982 .3326 .0522 |
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O2 .3892 .2979 .5354 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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