|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
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O3A .104 .2621 .574 .020 |
|
O3B .606 .7128 .484 .018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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