American Mineralogist Crystal Structure Database

14 matching records for this search.

Fluor-elbaite
 
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E
Download am/vol90/AM90_1661.pdf
American Mineralogist 90 (2005) 1661-1668
Mn-tourmaline from island of Elba (Italy): Crystal chemistry.
Sample: Elb2rim
Locality: Elba, Italy
_database_code_amcsd 0003941
15.8232 15.8232 7.0960 90 90 120 R3m
atom      x      y      z  occ   Uiso
NaX       0      0 .23197 .558  .0151
CaX       0      0 .23197 .125  .0151
AlY  .12281 .06141 .63493 .555  .0065
LiY  .12281 .06141 .63493 .416  .0065
FeY  .12281 .06141 .63493 .014  .0065
MnY  .12281 .06141 .63493 .015  .0065
AlZ  .29677 .26010 .60947      .00504
SiT  .19173 .18971      0 .985 .00431
BT   .19173 .18971      0 .015 .00431
B    .10901 .21802 .45411       .0046
F1W       0      0 .77928 .510  .0315
OH1W      0      0 .77928 .490  .0315
O2   .06031 .12062 .48895 .951  .0134
OH2  .06031 .12062 .48895 .049  .0134
O3V  .26463 .13232 .50717       .0121
O4   .09352 .18704 .07346       .0082
O5   .18686 .09343 .09576       .0086
O6   .19507 .18476 .77465       .0064
O7   .28623 .28591 .07804       .0056
O8   .20954 .26996 .43888       .0064
H3    .2565  .1283  .3690         .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E
Download am/vol90/AM90_1661.pdf
American Mineralogist 90 (2005) 1661-1668
Mn-tourmaline from island of Elba (Italy): Crystal chemistry.
Sample: Tsl2y
Locality: Elba, Italy
_database_code_amcsd 0003942
15.9055 15.9055 7.1270 90 90 120 R3m
atom      x      y      z  occ   Uiso
NaX       0      0 .23267 .786  .0225
CaX       0      0 .23267 .021  .0225
KX        0      0 .23267 .008  .0225
AlY  .12318 .06159 .62744 .422  .0083
LiY  .12318 .06159 .62744 .283  .0083
MnY  .12318 .06159 .62744 .281  .0083
TiY  .12318 .06159 .62744 .011  .0083
ZnY  .12318 .06159 .62744 .003  .0083
AlZ  .29758 .26086 .61151 .991  .0051
MnZ  .29758 .26086 .61151 .009  .0051
SiT  .19192 .18996      0 .996 .00401
AlT  .19192 .18996      0 .003 .00401
BT   .19192 .18996      0 .001 .00401
B    .10969 .21938 .45457       .0050
F1W       0      0 .78262 .648   .060
OH1W      0      0 .78262 .352   .060
O2   .06091 .12182 .48293       .0192
O3V  .26857 .13429 .50990       .0103
O4   .09335 .18670 .07149       .0075
O5   .18670 .09335 .09304       .0079
O6   .19695 .18684 .77565       .0068
O7   .28554 .28578 .08043       .0056
O8   .20989 .27071 .44137       .0072
H3    .2664  .1332  .3818         .09
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E
Download am/vol90/AM90_1661.pdf
American Mineralogist 90 (2005) 1661-1668
Mn-tourmaline from island of Elba (Italy): Crystal chemistry.
Sample: Tsl2z
Locality: Elba, Italy
_database_code_amcsd 0003943
15.9137 15.9137 7.1302 90 90 120 R3m
atom      x      y      z  occ   Uiso
NaX       0      0 .23166 .776  .0233
CaX       0      0 .23166 .025  .0233
KX        0      0 .23166 .004  .0233
AlY  .12330 .06165 .62683 .421  .0089
MnY  .12330 .06165 .62683 .304  .0089
LiY  .12330 .06165 .62683 .260  .0089
TiY  .12330 .06165 .62683 .011  .0089
ZnY  .12330 .06165 .62683 .004  .0089
AlZ  .29771 .26099 .61151 .989  .0056
MnZ  .29771 .26099 .61151 .011  .0056
SiT  .19195 .18999      0 .987 .00453
AlT  .19195 .18999      0 .009 .00453
BT   .19195 .18999      0 .004 .00453
B    .10975 .21950 .45422       .0058
F1W       0      0 .78207 .525   .062
OH1W      0      0 .78207 .388   .062
O1W       0      0 .78207 .087   .062
O2   .06098 .12196 .48263       .0200
O3V  .26871 .13436 .51005       .0106
O4   .09330 .18660 .07079       .0085
O5   .18656 .09328 .09286       .0084
O6   .19712 .18702 .77570       .0072
O7   .28555 .28583 .08029       .0060
O8   .20999 .27077 .44151       .0076
H3    .2689  .1345  .3779         .08
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E
Download am/vol90/AM90_1661.pdf
American Mineralogist 90 (2005) 1661-1668
Mn-tourmaline from island of Elba (Italy): Crystal chemistry.
Sample: Tsl2w
Locality: Elba, Italy
_database_code_amcsd 0003944
15.9243 15.9243 7.1323 90 90 120 R3m
atom      x      y      z  occ   Uiso
NaX       0      0 .23014 .758  .0227
CaX       0      0 .23014 .029  .0227
KX        0      0 .23014 .009  .0227
AlY  .12349 .06175 .62602 .413  .0083
MnY  .12349 .06175 .62602 .336  .0083
LiY  .12349 .06175 .62602 .237  .0083
TiY  .12349 .06175 .62602 .014  .0083
AlZ  .29780 .26112 .61148 .989  .0048
MnZ  .29780 .26112 .61148 .011  .0048
B    .10982 .21964 .45407       .0046
SiT  .19195 .19000      0 .984 .00377
AlT  .19195 .19000      0 .016 .00377
F1W       0      0 .78168 .538   .062
OH1W      0      0 .78168 .393   .062
O1W       0      0 .78168 .069   .062
O2   .06105 .12210 .48194       .0194
O3V  .26892 .13446 .50987       .0099
O4   .09335 .18670 .07076       .0074
O5   .18651 .09326 .09263       .0079
O6   .19724 .18712 .77553       .0066
O7   .28553 .28579 .08038       .0054
O8   .20995 .27074 .44136       .0069
H3    .2609  .1305  .3867         .03
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E
Download am/vol90/AM90_1661.pdf
American Mineralogist 90 (2005) 1661-1668
Mn-tourmaline from island of Elba (Italy): Crystal chemistry.
Sample: Tsl2x
Locality: Elba, Italy
_database_code_amcsd 0003945
15.9303 15.9303 7.1341 90 90 120 R3m
atom      x      y      z  occ   Uiso
NaX       0      0 .22918 .737  .0233
CaX       0      0 .22918 .022  .0233
KX        0      0 .22918 .003  .0233
AlY  .12357 .06179 .62546 .435  .0095
MnY  .12357 .06179 .62546 .361  .0095
LiY  .12357 .06179 .62546 .191  .0095
TiY  .12357 .06179 .62546 .013  .0095
AlZ  .29783 .26115 .61123 .987 .00522
MnZ  .29783 .26115 .61123 .013 .00522
B    .10984 .21968 .45416       .0058
SiT  .19187 .18992      0 .987 .00411
AlT  .19187 .18992      0 .013 .00411
F1W       0      0 .78032 .429   .056
OH1W      0      0 .78032 .382   .056
O1W       0      0 .78032 .189   .056
O2   .06116 .12232 .48259       .0204
O3V  .26860 .13430 .50981       .0110
O4   .09346 .18692 .07035       .0082
O5   .18679 .09340 .09241       .0085
O6   .19719 .18703 .77546       .0072
O7   .28555 .28593 .07991       .0058
O8   .20995 .27081 .44136       .0076
H3    .2611  .1306  .3870         .09
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E
Download am/vol90/AM90_1661.pdf
American Mineralogist 90 (2005) 1661-1668
Mn-tourmaline from island of Elba (Italy): Crystal chemistry.
Sample: Tsl2m
Locality: Elba, Italy
_database_code_amcsd 0003946
15.9398 15.9398 7.1363 90 90 120 R3m
atom      x      y      z  occ   Uiso
NaX       0      0 .22836 .686  .0236
CaX       0      0 .22836 .025  .0236
KX        0      0 .22836 .004  .0236
AlY  .12374 .06187 .62473 .439  .0096
MnY  .12374 .06187 .62473 .399  .0096
LiY  .12374 .06187 .62473 .148  .0096
TiY  .12374 .06187 .62473 .014  .0096
AlZ  .29795 .26127 .61119 .983  .0048
MnZ  .29795 .26127 .61119 .017  .0048
SiT  .19189 .18993      0 .997 .00397
AlT  .19189 .18993      0 .003 .00397
B    .10992 .21984 .45388       .0050
F1W       0      0 .77963 .388   .056
O1W       0      0 .77963 .360   .056
OH1W      0      0 .77963 .252   .056
O2   .06126 .12252 .48260       .0201
O3V  .26871 .13436 .50975       .0109
O4   .09348 .18696 .06993       .0077
O5   .18684 .09342 .09184       .0083
O6   .19730 .18708 .77557       .0069
O7   .28545 .28586 .08000       .0055
O8   .21004 .27095 .44127       .0073
H3    .2471  .1236   .393         .16
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-elbaite
 
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E
Download am/vol90/AM90_1661.pdf
American Mineralogist 90 (2005) 1661-1668
Mn-tourmaline from island of Elba (Italy): Crystal chemistry.
Sample: Tsl2g
Locality: Elba, Italy
_database_code_amcsd 0003947
15.9461 15.9461 7.1380 90 90 120 R3m
atom      x      y      z  occ   Uiso
NaX       0      0 .22773 .673  .0247
CaX       0      0 .22773 .016  .0247
KX        0      0 .22773 .007  .0247
AlY  .12394 .06197 .62407 .434  .0102
MnY  .12394 .06197 .62407 .403  .0102
LiY  .12394 .06197 .62407 .149  .0102
TiY  .12394 .06197 .62407 .014  .0102
AlZ  .29801 .26130 .61129 .983 .00558
MnZ  .29801 .26130 .61129 .017 .00558
SiT  .19192 .18993      0 .987 .00456
AlT  .19192 .18993      0 .013 .00456
B    .11008 .22016 .45402       .0062
F1W       0      0 .77933 .409   .060
OH1W      0      0 .77933 .392   .060
O1W       0      0 .77933 .199   .060
O2   .06136 .12272 .48263       .0212
O3V  .26864 .13432 .51008       .0117
O4   .09350 .18700 .06984       .0086
O5   .18703 .09352 .09168       .0090
O6   .19736 .18720 .77556       .0079
O7   .28538 .28584 .08001       .0064
O8   .21007 .27096 .44143       .0081
H3    .2636  .1318  .3865         .13
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tsilaisite
 
Bosi F, Skogby H, Agrosi G, Scandale E
 
American Mineralogist 97 (2012) 989-994
Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline
supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
Note: this dataset represents the standard tourmaline model
Locality: Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
_database_code_amcsd 0018865
15.9461 15.9461 7.1380 90 90 120 R3m
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
NaX       0       0  .2286  .67  .0269  .0299  .0299  .0209  .0149       0       0
CaX       0       0  .2286  .02  .0269  .0299  .0299  .0209  .0149       0       0
KX        0       0  .2286  .01  .0269  .0299  .0299  .0209  .0149       0       0
Mn2Y .12399 .061995 .62408 .447 .01130  .0108 .00802  .0160 .00540 -.00255 -.00127
AlY  .12399 .061995 .62408 .380 .01130  .0108 .00802  .0160 .00540 -.00255 -.00127
LiY  .12399 .061995 .62408 .180 .01130  .0108 .00802  .0160 .00540 -.00255 -.00127
TiY  .12399 .061995 .62408 .013 .01130  .0108 .00802  .0160 .00540 -.00255 -.00127
AlZ  .29803  .26129 .61115      .00602 .00627 .00725 .00470 .00351 -.00009  .00054
SiT  .19190  .18997      0  .99 .00479 .00498 .00475 .00456 .00238 -.00002 -.00035
BT   .19190  .18997      0  .01 .00479 .00498 .00475 .00456 .00238 -.00002 -.00035
B    .10993  .21986  .4543       .0067  .0072  .0059  .0065  .0029   .0002   .0003
O1        0       0  .7794  .20  .0443   .064   .064  .0050  .0320       0       0
OH1       0       0  .7794  .39  .0443   .064   .064  .0050  .0320       0       0
F1        0       0  .7794  .41  .0443   .064   .064  .0050  .0320       0       0
O2   .06139  .12277  .4818       .0197  .0305  .0060  .0144  .0030   .0003   .0005
O3   .26843  .13422  .5100       .0115  .0237  .0104  .0047  .0119  -.0006  -.0003
H3     .259   .1297   .401        .017
O4   .09351  .18702  .0701       .0085  .0069  .0125  .0079  .0063  -.0007  -.0013
O5   .18698  .09349  .0917       .0084  .0142  .0066  .0071  .0071   .0018   .0009
O6   .19732  .18723 .77527      .00785  .0088  .0095  .0043  .0038   .0007  -.0004
O7   .28539  .28583 .08002      .00625  .0061  .0053  .0052  .0013   .0005  -.0006
O8   .21011  .27092 .44140      .00796  .0064  .0116  .0073  .0055   .0005   .0027
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tsilaisite
 
Bosi F, Skogby H, Agrosi G, Scandale E
 
American Mineralogist 97 (2012) 989-994
Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline
supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
Note: this dataset represents the split atom model
Locality: Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
_database_code_amcsd 0018866
15.9461 15.9461 7.1380 90 90 120 R3m
atom      x       y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
NaX       0       0  .2290  .754  .0261  .0287  .0287  .0208  .0143       0       0
MnY  .12400 .062000 .62407  .616 .01141  .0108 .00807  .0162 .00542 -.00265 -.00132
LiY  .12400 .062000 .62407  .384 .01141  .0108 .00807  .0162 .00542 -.00265 -.00132
AlZ  .29801  .26127 .61120 1.017 .00598 .00629 .00722 .00460 .00351 -.00009  .00057
B    .10999  .21998  .4543        .0070  .0074  .0071  .0063  .0035   .0001   .0002
Si   .19191  .18997      0       .00470 .00482 .00467 .00456 .00234  .00001 -.00041
O1    .0209  .01044  .7796 .3333  .0078
O2   .07115  .12293  .4819   .50  .0101
O3   .26862  .13431  .5100        .0114  .0235  .0105  .0044  .0118  -.0005  -.0003
H3     .256   .1280   .409         .017
O4   .09348  .18696 .07006        .0082  .0068  .0116  .0078  .0058  -.0006  -.0013
O5   .18697  .09349 .09176        .0083  .0145  .0064  .0067  .0072   .0014   .0007
O6   .19727  .18721 .77531       .00786  .0087  .0096  .0041  .0037   .0004  -.0007
O7   .28533  .28581 .08008       .00617  .0058  .0054  .0053  .0013   .0005  -.0006
O8   .21009  .27095 .44150       .00779  .0063  .0115  .0069  .0055   .0006   .0027
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Agrosi G, Schingaro E, Pedrazzi G, Scandale E, Scordari F
 
European Journal of Mineralogy 14 (2002) 785-794
A crystal chemical insight into sector zoning of a titanian andradite
('melanite') crystal
Sample: (121)
_database_code_amcsd 0006944
12.010 12.010 12.010 90 90 90 Ia-3d
atom     x     y     z  occ  Uiso
CaX   .125     0   .25 .966 .0083
MgX   .125     0   .25 .024 .0083
MnX   .125     0   .25 .006 .0083
FeX   .125     0   .25 .031 .0083
AlY      0     0     0 .304 .0059
FeY      0     0     0 .614 .0059
SiZ   .375     0   .25 .954 .0047
ZrZ   .375     0   .25 .002 .0047
TiZ   .375     0   .25 .071 .0047
O    .0385 .0474 .6537      .0082
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Agrosi G, Schingaro E, Pedrazzi G, Scandale E, Scordari F
 
European Journal of Mineralogy 14 (2002) 785-794
A crystal chemical insight into sector zoning of a titanian andradite
('melanite') crystal
Sample: (011)
_database_code_amcsd 0006945
12.014 12.014 12.014 90 90 90 Ia-3d
atom     x     y     z  occ  Uiso
CaX   .125     0   .25 .964 .0076
MgX   .125     0   .25 .024 .0076
MnX   .125     0   .25 .006 .0076
FeX   .125     0   .25 .031 .0076
FeY      0     0     0 .609 .0050
AlY      0     0     0 .316 .0050
TiZ   .375     0   .25 .064 .0046
ZrZ   .375     0   .25 .003 .0046
SiZ   .375     0   .25 .958 .0046
O    .0390 .0477 .6543      .0077
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Agrosi G, Schingaro E, Pedrazzi G, Scandale E, Scordari F
 
European Journal of Mineralogy 14 (2002) 785-794
A crystal chemical insight into sector zoning of a titanian andradite
('melanite') crystal
Sample: (110)
_database_code_amcsd 0006946
12.007 12.007 12.007 90 90 90 Ia-3d
atom     x     y     z  occ  Uiso
CaX   .125     0   .25 .965 .0084
MgX   .125     0   .25 .024 .0084
MnX   .125     0   .25 .006 .0084
FeX   .125     0   .25  .03 .0084
FeY      0     0     0 .606 .0064
AlY      0     0     0 .317 .0064
TiZ   .375     0   .25 .064 .0055
ZrZ   .375     0   .25 .003 .0055
SiZ   .375     0   .25 .959 .0055
O    .0388 .0479 .6544      .0082
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-tsilaisite
 
Bosi F, Andreozzi G B, Agrosi G, Scandale E
 
Mineralogical Magazine 79 (2015) 89-101
Fluor-tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3F, a new tourmaline
from San Piero in Campo (Elba, Italy) and new data on tsilaisitic
tourmaline from the holotype specimen locality
Note: Sample CB1b, Standard SREF
Locality: Grotta d'Oggi, San Piero in Campo, Elba Island, Italy
_database_code_amcsd 0020623
15.9619 15.9691 7.1426 90 90 120 R3m
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Na        0      0  .2257  .614  .0269  .0288  .0288  .0233  .0144       0       0
Ca        0      0  .2257 .0143  .0269  .0288  .0288  .0233  .0144       0       0
K         0      0  .2257 .0046  .0269  .0288  .0288  .0233  .0144       0       0
MnY  .12432 .06216 .62286  .481 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
AlY  .12432 .06216 .62286  .395 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
LiY  .12432 .06216 .62286 .1019 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
TiY  .12432 .06216 .62286 .0137 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
FeY  .12432 .06216 .62286  .009 .01170  .0101 .00757  .0182 .00507 -.00314 -.00157
AlZ  .29816 .26145 .61080  .969 .00625 .00643 .00703  .0054 .00342 -.00012  .00056
MnZ  .29816 .26145 .61080  .031 .00625 .00643 .00703  .0054 .00342 -.00012  .00056
B    .11012 .22025  .4541        .0068  .0074  .0057  .0067  .0029   .0000   .0000
Si   .19185 .18988      0 .9895 .00476 .00481 .00467 .00484 .00239 -.00017 -.00042
AlT  .19185 .18988      0 .0105 .00476 .00481 .00467 .00484 .00239 -.00017 -.00042
O1        0      0  .7780 .6537  .0441   .062   .062  .0083  .0310       0       0
F1        0      0  .7780 .3463  .0441   .062   .062  .0083  .0310       0       0
O2   .06157 .12315  .4827        .0197  .0318  .0054  .0131  .0027   .0003   .0005
O3   .26844 .13422  .5098        .0121  .0249  .0111  .0050  .0124  -.0003  -.0002
H3     .260  .1301   .394         .018
O4   .09366 .18732  .0693        .0084  .0065  .0129  .0081  .0064  -.0007  -.0013
O5   .18713 .09357  .0913        .0088  .0140  .0068  .0080  .0070   .0017   .0008
O6   .19745 .18725 .77534       .00769  .0084  .0096  .0044  .0040   .0002  -.0004
O7   .28527 .28572 .07944       .00650  .0059  .0060  .0056  .0015  -.0001  -.0007
O8   .20999 .27099 .44110       .00816  .0058  .0116  .0082  .0052   .0007   .0029
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fluor-tsilaisite
 
Bosi F, Andreozzi G B, Agrosi G, Scandale E
 
Mineralogical Magazine 79 (2015) 89-101
Fluor-tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3F, a new tourmaline
from San Piero in Campo (Elba, Italy) and new data on tsilaisitic
tourmaline from the holotype specimen locality
Note: Sample CB1b, Split-site SREF
Locality: Grotta d'Oggi, San Piero in Campo, Elba Island, Italy
_database_code_amcsd 0020624
15.9619 15.9691 7.1426 90 90 120 R3m
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Na        0      0  .2263  .609  .0260  .0277  .0277  .0228  .0138       0       0
Ca        0      0  .2263 .0143  .0260  .0277  .0277  .0228  .0138       0       0
K         0      0  .2263 .0046  .0260  .0277  .0277  .0228  .0138       0       0
MnY  .12435 .06218 .62283  .489 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
AlY  .12435 .06218 .62283  .387 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
LiY  .12435 .06218 .62283 .1019 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
TiY  .12435 .06218 .62283 .0137 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
FeY  .12435 .06218 .62283  .009 .01182  .0101 .00761  .0185 .00507 -.00315 -.00157
AlZ  .29815 .26144 .61085  .969 .00620 .00649 .00700  .0052 .00346 -.00014  .00057
MnZ  .29815 .26144 .61085  .031 .00620 .00649 .00700  .0052 .00346 -.00014  .00057
B    .11012 .22024  .4541        .0070  .0077  .0066  .0063  .0033   .0000   .0000
Si   .19184 .18987      0 .9895 .00467 .00463 .00463 .00482 .00236 -.00012 -.00042
AlT  .19184 .18987      0 .0105 .00467 .00463 .00463 .00482 .00236 -.00012 -.00042
O1    .0199 .00995  .7783 .2179  .0121
F1    .0199 .00995  .7783 .1154  .0121
O2   .07173 .12324  .4828    .5  .0086
O3   .26855 .13428  .5098        .0119  .0244  .0110  .0048  .0122  -.0003  -.0001
H3     .259  .1295   .400         .018
O4   .09362 .18724  .0692        .0083  .0064  .0123  .0082  .0062  -.0006  -.0013
O5   .18711 .09355  .0913        .0087  .0141  .0066  .0079  .0070   .0012   .0006
O6   .19741 .18721 .77540       .00763  .0083  .0097  .0041  .0039  -.0001  -.0006
O7   .28525 .28572 .07943       .00643  .0057  .0058  .0057  .0014  -.0001  -.0008
O8   .20996 .27103 .44122       .00808  .0057  .0117  .0079  .0052   .0008   .0028
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 14
View in amc, download in amc

Return to AMCSD Home Page