|
Fluor-elbaite |
| |
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E |
 |
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)
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View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E |
|
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)
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View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-elbaite |
| |
Bosi F, Agrosi G, Lucchesi S, Melchiorre G, Scandale E |
|
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)
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View JMOL 3-D Structure
|
| |
|
Andradite |
 |
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andradite |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Andradite |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorothionite |
|
Giacovazzo C, Scandale E, Scordari F |
|
Zeitschrift fur Kristallographie 144 (1976) 226-237 |
|
The crystal structure of chlorotionite, CuK2Cl2SO4 |
|
Locality: 1906 eruption of Vesuvius, Italy |
|
_database_code_amcsd 0010784 |
|
7.732 6.078 16.292 90 90 90 Pnma |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu .6212 .75 .4615 1.55 .0039 .0175 .0011 0 0 0 |
|
K1 .3821 .25 .2808 2.26 .0052 .0111 .0036 0 .0004 0 |
|
K2 .1193 .75 .4050 1.51 .0057 .0110 .0015 0 -.0001 0 |
|
Cl1 .6026 .25 .4515 1.70 .0057 .0157 .0013 0 -.0004 0 |
|
Cl2 .8402 .75 .5526 1.56 .0063 .0114 .0014 0 -.0007 0 |
|
S .6296 .75 .3024 1.07 .0036 .0081 .0011 0 -.0002 0 |
|
O1 .7758 .75 .3629 1.89 .0028 .023 .0014 0 .0001 0 |
|
O2 .6324 .9481 .2518 1.58 .0087 .0060 .0017 -.0001 -.0006 -.0007 |
|
O3 .4752 .75 .3587 1.70 .0031 .021 .0012 0 .0005 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tsilaisite |
| |
Bosi F, Skogby H, Agrosė 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
|
| |
|
Tsilaisite |
| |
Bosi F, Skogby H, Agrosė 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 |
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O7 .28533 .28581 .08008 .00617 .0058 .0054 .0053 .0013 .0005 -.0006 |
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O8 .21009 .27095 .44150 .00779 .0063 .0115 .0069 .0055 .0006 .0027 |
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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
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| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
