American Mineralogist Crystal Structure Database

19 matching records for this search.

Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = .0001 GPa
_database_code_amcsd 0019070
16.2004 5.5529 10.0423 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41075   .75 .2828 .0067
Si2  .08147   .25 .1061 .0070
Si3  .16030   .25 .4355 .0056
Al12 .24952 .9971 .1895 .0066
Al3  .10596   .75 .3005 .0073
Ca1  .36666   .25 .4375 .0109
Ca2  .45185   .25 .1150 .0104
O1    .1305 .9998 .1465 .0094
O2    .1014 .0132 .4302 .0087
O3    .3591 .9917 .2452 .0079
O4    .2190   .75 .3014 .0077
O5    .2277   .25 .3122 .0087
O6    .2718   .75 .0600 .0083
O7    .9910   .25 .1647 .0103
O8    .9969   .75 .2938 .0095
O9    .4202   .75 .4429 .0190
OH10  .2677   .25 .0743 .0099
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 7.766 GPa
_database_code_amcsd 0019071
16.0271 5.4473 9.8119 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41043   .75 .2788 .0114
Si2  .07990   .25 .1048 .0108
Si3  .16003   .25 .4353 .0114
Al12 .24854 .9985 .1865 .0112
Al3   .1053   .75 .2999 .0101
Ca1  .36508   .25 .4353 .0147
Ca2  .45543   .25 .1094 .0111
O1    .1278 .9933 .1466 .0137
O2    .1015 .0116 .4328 .0148
O3    .3586 .9958 .2390 .0144
O4    .2191   .75 .3038 .0095
O5    .2275   .25 .3113 .0111
O6    .2690   .75 .0576 .0106
O7    .9899   .25 .1712 .0177
O8    .9947   .75 .3050 .0164
O9    .4204   .75 .4420  .031
OH10  .2605   .25 .0646 .0112
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 5.145 GPa
_database_code_amcsd 0019072
16.0845 5.477 9.8785 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41005   .75 .2794 .0113
Si2  .08054   .25 .1054 .0097
Si3  .16001   .25 .4350 .0095
Al12 .24907 .9983 .1875 .0100
Al3  .10516   .75 .3000 .0091
Ca1  .36545   .25 .4363 .0137
Ca2  .45426   .25 .1113 .0112
O1    .1280 .9931 .1478 .0131
O2    .1012 .0140 .4320 .0148
O3    .3588 .9948 .2409 .0137
O4    .2198   .75 .3036 .0093
O5    .2277   .25 .3119 .0100
O6    .2708   .75 .0579 .0077
O7    .9905   .25 .1683 .0178
O8    .9955   .75 .3013 .0117
O9    .4208   .75 .4424  .028
OH10  .2613   .25 .0666 .0101
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 1.144 GPa
_database_code_amcsd 0019073
16.1760 5.5342 10.0007 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41099   .75 .2821 .0060
Si2  .08098   .25 .1059 .0065
Si3  .16030   .25 .4349 .0061
Al12 .24938 .9978 .1895 .0059
Al3  .10568   .75 .3000 .0068
Ca1  .36624   .25 .4370 .0099
Ca2  .45266   .25 .1139 .0084
O1    .1302 .9969 .1465 .0089
O2    .1013 .0139 .4297 .0097
O3    .3588 .9913 .2443 .0068
O4    .2183   .75 .3011 .0083
O5    .2274   .25 .3115 .0057
O6    .2714   .75 .0596 .0064
O7    .9909   .25 .1653 .0091
O8    .9967   .75 .2965 .0094
O9    .4200   .75 .4446 .0205
OH10  .2668   .25 .0725 .0101
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 2.945 GPa
_database_code_amcsd 0019074
16.1353 5.5062 9.9432 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41048   .75 .2808 .0103
Si2  .08073   .25 .1057 .0101
Si3  .16006   .25 .4354 .0096
Al12 .24930 .9976 .1888 .0098
Al3  .10561   .75 .2994 .0108
Ca1  .36599   .25 .4365 .0140
Ca2  .45335   .25 .1127 .0122
O1    .1291 .9951 .1475 .0116
O2    .1015 .0147 .4311 .0131
O3    .3591 .9912 .2428 .0115
O4    .2191   .75 .3029 .0102
O5    .2275   .25 .3115 .0097
O6    .2701   .75 .0584 .0103
O7    .9903   .25 .1662 .0141
O8    .9962   .75 .2988 .0135
O9    .4215   .75 .4429 .0237
OH10  .2644   .25 .0710 .0142
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 4.025 GPa
_database_code_amcsd 0019075
16.1124 5.4917 9.9110 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41046   .75 .2798 .0108
Si2  .08033   .25 .1059 .0117
Si3  .15964   .25 .4349 .0111
Al12 .24907 .9975 .1882 .0104
Al3  .10572   .75 .3002 .0113
Ca1  .36572   .25 .4360 .0145
Ca2  .45397   .25 .1118 .0125
O1    .1288 .9951 .1471 .0111
O2    .1005 .0146 .4314 .0125
O3    .3591 .9927 .2430 .0110
O4    .2187   .75 .3040 .0131
O5    .2269   .25 .3123 .0110
O6    .2702   .75 .0596 .0098
O7    .9907   .25 .1665 .0144
O8    .9962   .75 .2999 .0130
O9    .4217   .75 .4422  .025
OH10  .2633   .25 .0679 .0141
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 5.533 GPa
_database_code_amcsd 0019076
16.0796 5.4721 9.8690 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41022   .75 .2793 .0115
Si2  .08008   .25 .1059 .0101
Si3  .16003   .25 .4350 .0105
Al12 .24889 .9986 .1878 .0106
Al3  .10544   .75 .2989 .0109
Ca1  .36554   .25 .4359 .0137
Ca2  .45466   .25 .1109 .0117
O1    .1284 .9929 .1469 .0111
O2    .1013 .0123 .4313 .0132
O3    .3579 .9945 .2406 .0123
O4    .2189   .75 .3020 .0084
O5    .2273   .25 .3109 .0084
O6    .2693   .75 .0588 .0105
O7    .9892   .25 .1676 .0171
O8    .9961   .75 .3018 .0126
O9    .4201   .75 .4418  .027
OH10  .2620   .25 .0667 .0141
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zoisite
Download hom/zoisite.pdf
Alvaro M, Angel R J, Camara F
 
American Mineralogist 97 (2012) 1165-1176
High-pressure behavior of zoisite
Locality: Merelani Hills, Tanzania
Note: P = 6.511 GPa
_database_code_amcsd 0019077
16.0539 5.4609 9.8437 90 90 90 Pnma
atom      x     y     z  Uiso
Si1  .41022   .75 .2796 .0108
Si2  .08005   .25 .1058 .0119
Si3  .15990   .25 .4356 .0096
Al12 .24902 .9989 .1873 .0109
Al3  .10533   .75 .2993 .0113
Ca1  .36544   .25 .4359 .0141
Ca2  .45481   .25 .1103 .0128
O1    .1280 .9936 .1472 .0122
O2    .1009 .0128 .4321 .0128
O3    .3584 .9940 .2411 .0113
O4    .2194   .75 .3033 .0155
O5    .2267   .25 .3110 .0072
O6    .2702   .75 .0575 .0121
O7    .9893   .25 .1666 .0185
O8    .9953   .75 .3024 .0142
O9    .4207   .75 .4431  .028
OH10  .2621   .25 .0660 .0125
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
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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 (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
Download am/vol95/AM95_300.pdf
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
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Total number of retrieved datasets: 19
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