|
Eucryptite |
 |
Daniels P, Fyfe C A |
 |
American Mineralogist 86 (2001) 279-283 |
|
Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4) |
|
_database_code_amcsd 0002630 |
|
13.532 13.532 9.044 90 90 120 R3 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li1 -.0172 -.8111 -.7486 .0176 .0197 .0132 .0088 .0012 .0027 |
|
Li2 .0208 .8117 .7535 .0163 .0148 .0150 .0069 -.0011 -.0013 |
|
Si1 .53003 .87978 .74976 .0098 .0100 .0092 .00512 -.00023 -.00025 |
|
Al1 -.53033 -.88160 -.74912 .0105 .0103 .0091 .00537 -.00011 -.00008 |
|
Si2 .87557 .34416 .91628 .01036 .0095 .0091 .00498 -.00031 .00011 |
|
Al2 -.87508 -.34475 -.91580 .0106 .0098 .0094 .00519 -.00023 -.00011 |
|
O1 -.75287 -.20991 -.89041 .0118 .0117 .0107 .0035 -.0014 -.0011 |
|
O2 .76554 .21616 .89841 .0120 .0110 .0111 .0033 -.0016 -.0009 |
|
O3 -.73280 -.19912 -.59329 .0129 .0120 .0093 .0047 -.0001 .0000 |
|
O4 .73246 .19928 .57644 .0126 .0117 .0087 .0044 .0003 -.0002 |
|
O5 -.10448 -.88798 -.93692 .0118 .0113 .0109 .0035 .0010 .0013 |
|
O6 .09633 .88060 .94630 .0126 .0112 .0108 .0036 .0016 .0008 |
|
O7 -.66426 -.00862 -.74899 .0108 .0100 .0139 .0048 -.0001 .0000 |
|
O8 .65458 -.00374 .74982 .0106 .0099 .0137 .0044 .0005 .0003 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Eucryptite |
|
Daniels P, Fyfe C A |
|
American Mineralogist 86 (2001) 279-283 |
|
Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4) |
|
Not the correct model |
|
_database_code_amcsd 0002631 |
|
13.532 13.532 9.044 90 90 120 R-3 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li .0204 .8132 .7515 .022 .017 .022 .007 -.002 .002 |
|
Si1 .53030 .88076 .74951 .5 .0108 .0106 .0094 .0056 -.0002 -.0003 |
|
Al1 .53030 .88076 .74951 .5 .0108 .0106 .0094 .0056 -.0002 -.0003 |
|
Si2 .87526 .34430 .91608 .5 .0107 .0097 .0095 .0050 -.0004 .0000 |
|
Al2 .87526 .34430 .91608 .5 .0107 .0097 .0095 .0050 -.0004 .0000 |
|
O1 .7593 .2131 .8944 .0197 .0133 .0108 .0076 .0022 .0011 |
|
O2 .7329 .1993 .5846 .0119 .0105 .0179 .0037 .0007 -.0001 |
|
O3 .1005 .8843 .9413 .0145 .0141 .0119 .0059 -.0020 -.0016 |
|
O4 .6592 .0026 .7495 .0130 .0176 .0148 .0100 .0000 .0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cancrinite |
|
Fechtelkord M, Posnatzki B, Buhl J-C, Fyfe C A, Groat L A, Raudsepp M |
|
American Mineralogist 86 (2001) 881-888 |
|
Characterization of synthetic Cs-Li cancrinite grown in a butanediol-water |
|
system: An NMR spectroscopic and Rietveld refinement study |
|
_database_code_amcsd 0002658 |
|
12.41595 12.41595 4.97019 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Cs 1/3 2/3 .2723 .0316 |
|
Li .169 .3084 .246 .91 .02 |
|
Al .0812 .4090 .75 .002 |
|
Si .3405 .4154 .7757 .002 |
|
O1 .2024 .3831 .6739 .007 |
|
O2 .1311 .5663 .776 .007 |
|
O3 .0491 .3720 .0926 .007 |
|
O4 .3199 .3874 .1100 .007 |
|
OH21 .8909 .0229 .758 .81 .045 |
|
OH22 .0728 .1734 .118 .49 .045 |
|
OH1 0 0 .006 .74 .018 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Dunton Gem Min, Oxford County, Maine at T = 15 K |
|
_database_code_amcsd 0002956 |
|
6.7114 7.7048 7.0187 91.320 117.949 91.784 C-1 |
|
atom x y z occ Uiso |
|
P .9836 .3424 .2672 .0032 |
|
Al1 0 0 0 .0041 |
|
Al2 0 0 1/2 .0027 |
|
O1 -.3180 .0146 -.1611 .0045 |
|
O2 .2979 .0589 .5725 .0044 |
|
O3 .1021 -.2239 -.3904 .0045 |
|
O4 .0256 .2357 .1041 .0048 |
|
O .0491 .0894 -.2255 .96 .0042 |
|
F .0491 .0894 -.2255 .04 .0042 |
|
H .2063 .1337 .8484 .96 .017 |
|
Li1 .067 -.323 .322 .50 .007 |
|
Li2 .070 -.320 .305 .50 .008 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Dunton Gem Min, Oxford County, Maine at T = 75 K |
|
_database_code_amcsd 0002957 |
|
6.7129 7.7095 7.0231 91.359 117.960 91.781 C-1 |
|
atom x y z occ Uiso |
|
P .9834 .3420 .2675 .0031 |
|
Al1 0 0 0 .0033 |
|
Al2 0 0 1/2 .0029 |
|
O1 -.3180 .0147 -.1610 .0045 |
|
O2 .2979 .0589 .5727 .0047 |
|
O3 .1024 -.2237 -.3900 .0042 |
|
O4 .0256 .2358 .1040 .0049 |
|
O .0490 .0896 -.2254 .95 .0044 |
|
F .0490 .0896 -.2254 .05 .0044 |
|
H .2063 .1336 .8480 .95 .017 |
|
Li1 .061 -.322 .309 .45 .000 |
|
Li2 .083 -.321 .322 .55 .018 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Dunton Gem Min, Oxford County, Maine at T = 150 K |
|
_database_code_amcsd 0002958 |
|
6.7158 7.7113 7.0232 91.343 117.953 91.778 C-1 |
|
atom x y z occ Uiso |
|
P .9836 .3421 .2673 .0038 |
|
Al1 0 0 0 .004 |
|
Al2 0 0 1/2 .004 |
|
O1 -.3182 .0147 -.1607 .0060 |
|
O2 .2975 .0586 .5729 .0056 |
|
O3 .1022 -.2236 -.3901 .0051 |
|
O4 .0259 .2360 .1038 .0064 |
|
O .0485 .0894 -.2257 .96 .0052 |
|
F .0485 .0894 -.2257 .04 .0052 |
|
H .2059 .1335 .8477 .96 .019 |
|
Li1 .063 -.322 .303 .39 .001 |
|
Li2 .077 -.320 .325 .61 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Dunton Gem Min, Oxford County, Maine at T = 225 K |
|
_database_code_amcsd 0002959 |
|
6.7198 7.7149 7.0249 91.320 117.953 91.778 C-1 |
|
atom x y z occ Uiso |
|
P .9838 .3422 .2669 .0039 |
|
Al1 0 0 0 .0043 |
|
Al2 0 0 1/2 .0041 |
|
O1 -.3180 .0151 -.1603 .0062 |
|
O2 .2981 .0587 .5736 .0062 |
|
O3 .1016 -.2236 -.3899 .0055 |
|
O4 .0263 .2360 .1038 .0064 |
|
O .0484 .0893 -.2257 .98 .0052 |
|
F .0484 .0893 -.2257 .02 .0052 |
|
H .2052 .1336 .8470 .98 .0197 |
|
Li1 .064 -.317 .28 .19 .010 |
|
Li2 .072 -.3216 .319 .81 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Dunton Gem Min, Oxford County, Maine at T = 295 K |
|
_database_code_amcsd 0002960 |
|
6.7234 7.7181 7.0258 91.302 117.953 91.773 C-1 |
|
atom x y z occ Uiso |
|
P .9842 .3422 .2667 .0050 |
|
Al1 0 0 0 .0053 |
|
Al2 0 0 1/2 .0052 |
|
O1 -.3175 .0153 -.1595 .0077 |
|
O2 .2980 .0583 .5742 .0076 |
|
O3 .1013 -.2237 -.3895 .0070 |
|
O4 .0263 .2360 .1036 .0081 |
|
O .0480 .0893 -.2258 .96 .0066 |
|
F .0480 .0893 -.2258 .04 .0066 |
|
H .2044 .1335 .8470 .96 .0207 |
|
Li1 .066 -.317 .274 .23 .013 |
|
Li2 .0709 -.3213 .318 .77 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Tanco Pegmatite, Bernic Lake, Manitoba at T = 15 K |
|
_database_code_amcsd 0002961 |
|
6.6861 7.7004 6.9610 91.013 117.787 91.383 C-1 |
|
atom x y z occ Uiso |
|
P .9846 .3412 .2625 .0046 |
|
Al1 0 0 0 .0046 |
|
Al2 0 0 1/2 .0036 |
|
O1 -.3172 .0150 -.1547 .0060 |
|
O2 .2982 .0602 .5794 .0065 |
|
O3 .1013 -.2231 -.3879 .0054 |
|
O4 .0236 .2337 .0976 .0065 |
|
O .0372 .0865 -.2318 .55 .0071 |
|
F .0372 .0865 -.2318 .45 .0071 |
|
H .2018 .1370 .8444 .55 .019 |
|
Li1 .050 -.323 .259 .38 .012 |
|
Li2 .068 -.3215 .315 .62 .007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Tanco Pegmatite, Bernic Lake, Manitoba at T = 75 K |
|
_database_code_amcsd 0002962 |
|
6.6871 7.7085 6.9660 90.983 117.76 91.387 C-1 |
|
atom x y z occ Uiso |
|
P .9845 .3412 .2624 .0047 |
|
Al1 0 0 0 .0045 |
|
Al2 0 0 1/2 .0038 |
|
O1 -.3171 .0148 -.1548 .0061 |
|
O2 .2980 .0600 .5792 .0066 |
|
O3 .1010 -.2231 -.3880 .0057 |
|
O4 .0238 .2338 .0977 .0066 |
|
O .0370 .0865 -.2318 .55 .0072 |
|
F .0370 .0865 -.2318 .45 .0072 |
|
H .2030 .1371 .8453 .55 .019 |
|
Li1 .047 -.323 .259 .38 .013 |
|
Li2 .069 -.3220 .316 .61 .007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Tanco Pegmatite, Bernic Lake, Manitoba at T = 150 K |
|
_database_code_amcsd 0002963 |
|
6.6891 7.7111 6.9648 90.958 117.76 91.382 C-1 |
|
atom x y z occ Uiso |
|
P .9846 .3411 .2620 .0048 |
|
Al1 0 0 0 .0049 |
|
Al2 0 0 1/2 .0038 |
|
O1 -.3170 .0153 -.1541 .0067 |
|
O2 .2984 .0600 .5798 .0075 |
|
O3 .1008 -.2231 -.3877 .0062 |
|
O4 .0244 .2339 .0977 .0075 |
|
O .0366 .0865 -.2320 .58 .0076 |
|
F .0366 .0865 -.2320 .42 .0076 |
|
H .2025 .1370 .8442 .58 .019 |
|
Li1 .051 -.3221 .256 .36 .014 |
|
Li2 .0689 -.3220 .316 .64 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Tanco Pegmatite, Bernic Lake, Manitoba at T = 225 K |
|
_database_code_amcsd 0002964 |
|
6.6914 7.7150 6.9697 90.939 117.76 91.377 C-1 |
|
atom x y z occ Uiso |
|
P .9847 .3411 .2616 .0056 |
|
Al1 0 0 0 .0059 |
|
Al2 0 0 1/2 .0047 |
|
O1 -.3168 .0159 -.1534 .0078 |
|
O2 .2984 .0600 .5802 .0084 |
|
O3 .1004 -.2229 -.3873 .0073 |
|
O4 .0251 .2338 .0979 .0086 |
|
O .0361 .0866 -.2321 .55 .0084 |
|
F .0361 .0866 -.2321 .45 .0084 |
|
H .2015 .1370 .8444 .55 .020 |
|
Li1 .052 -.322 .252 .38 .015 |
|
Li2 .0684 -.3224 .316 .62 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Tanco Pegmatite, Bernic Lake, Manitoba at T = 295 K |
|
Note: O3-x coordinate modified |
|
_database_code_amcsd 0002965 |
|
6.6941 7.7204 6.9728 90.919 117.75 91.369 C-1 |
|
atom x y z occ Uiso |
|
P .9851 .3410 .2618 .0062 |
|
Al1 0 0 0 .0063 |
|
Al2 0 0 1/2 .0051 |
|
O1 -.3167 .01652 -.1526 .0092 |
|
O2 .2985 .05971 .5808 .0096 |
|
O3 .0998 -.22273 -.3870 .0083 |
|
O4 .0257 .23365 .0981 .0099 |
|
O .0358 .08658 -.2324 .55 .0096 |
|
F .0358 .08658 -.2324 .45 .0096 |
|
H .2011 .1373 .8440 .55 .022 |
|
Li1 .050 -.3230 .249 .37 .017 |
|
Li2 .0680 -.3218 .316 .63 .014 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Amblygonite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample AF-46: from Karibib, South Africa at T = 12 K |
|
Natural Museum of Natural History, Washington D.C. #105914 |
|
_database_code_amcsd 0002966 |
|
6.6778 7.7036 6.9503 90.861 117.687 91.293 C-1 |
|
atom x y z occ Uiso |
|
P .9844 .34096 .2608 .0041 |
|
Al1 0 0 0 .0036 |
|
Al2 0 0 1/2 .0031 |
|
O1 -.3168 .01518 -.1529 .0057 |
|
O2 .2982 .06035 .5813 .0061 |
|
O3 .1009 -.22275 -.3872 .0050 |
|
O4 .0233 .23330 .0957 .0061 |
|
O .0333 .08557 -.2339 .44 .0063 |
|
F .0333 .08557 -.2339 .54 .0063 |
|
H .2030 .1376 .8454 .44 .018 |
|
Li1 .048 -.3214 .254 .34 .007 |
|
Li2 .0670 -.3222 .313 .65 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Amblygonite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample AF-46: from Karibib, South Africa at T = 100 K |
|
Natural Museum of Natural History, Washington D.C. #105914 |
|
_database_code_amcsd 0002967 |
|
6.6774 7.7086 6.9513 90.812 117.697 91.294 C-1 |
|
atom x y z occ Uiso |
|
P .9844 .34098 .2608 .0043 |
|
Al1 0 0 0 .0040 |
|
Al2 0 0 1/2 .0034 |
|
O1 -.3167 .01539 -.1526 .0059 |
|
O2 .2981 .06028 .5814 .0065 |
|
O3 .1007 -.22271 -.3870 .0054 |
|
O4 .0237 .23331 .0957 .0066 |
|
O .0331 .08558 -.2341 .44 .0067 |
|
F .0331 .08558 -.2341 .54 .0067 |
|
H .2028 .1371 .8445 .44 .018 |
|
Li1 .050 -.3222 .253 .35 .008 |
|
Li2 .0666 -.3227 .313 .67 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Amblygonite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample AF-46: from Karibib, South Africa at T = 200 K |
|
Natural Museum of Natural History, Washington D.C. #105914 |
|
_database_code_amcsd 0002968 |
|
6.6803 7.7098 6.9549 90.793 117.693 91.285 C-1 |
|
atom x y z occ Uiso |
|
P .9847 .34071 .2604 .0059 |
|
Al1 0 0 0 .0051 |
|
Al2 0 0 1/2 .0041 |
|
O1 -.3167 .01607 -.1516 .0074 |
|
O2 .2985 .06010 .5821 .0079 |
|
O3 .1003 -.22251 -.3866 .0067 |
|
O4 .0246 .23318 .0959 .0082 |
|
O .0325 .08554 -.2342 .44 .0078 |
|
F .0325 .08554 -.2342 .54 .0078 |
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H .2017 .1370 .8444 .44 .019 |
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Li1 .049 -.3214 .250 .38 .013 |
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Li2 .0674 -.3224 .313 .62 .012 |
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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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Amblygonite |
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Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
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American Mineralogist 88 (2003) 195-210 |
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The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
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A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
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and REDOR NMR study |
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Sample AF-46: from Karibib, South Africa at T = 295 K |
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Natural Museum of Natural History, Washington D.C. #105914 |
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_database_code_amcsd 0002969 |
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6.6815 7.7160 6.9565 90.777 117.617 91.275 C-1 |
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atom x y z occ Uiso |
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P .98526 .34060 .26028 .0057 |
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Al1 0 0 0 .0058 |
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Al2 0 0 1/2 .0049 |
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O1 -.31648 .01684 -.15047 .0088 |
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O2 .29861 .06004 .58277 .0093 |
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O3 .09968 -.22222 -.38606 .0079 |
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O4 .02593 .23308 .09627 .0096 |
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O .0318 .08571 -.23449 .44 .0087 |
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F .0318 .08571 -.23449 .54 .0087 |
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H .2005 .1377 .8436 .44 .022 |
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Li1 .047 -.3221 .248 .40 .0163 |
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Li2 .0677 -.3234 .314 .60 .0156 |
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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
|
| |
|
Amblygonite |
|
Groat L A, Chakoumakos B C, Brouwer D H, Hoffman C M, Fyfe C A, Morell H, Schultz A J |
|
American Mineralogist 88 (2003) 195-210 |
|
The amblygonite (LiAlPO4F) - montebrasite (LiAlPO4OH) solid solution: |
|
A combined powder and single-crystal neutron diffraction and solid-state Li MAS, CP MAS, |
|
and REDOR NMR study |
|
Sample: from Chursdorf, near Penig, Saxony, Germany at T = 20 K |
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_database_code_amcsd 0002970 |
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6.678 7.717 6.931 90.59 117.65 91.08 C-1 |
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atom x y z occ Uiso |
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P -.0154 .3404 .2568 .0075 |
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Al1 0 0 0 .0097 |
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Al2 0 0 1/2 .0065 |
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O1 -.3160 .0163 -.1479 .0091 |
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O2 .2987 .0610 .5867 .0091 |
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O3 .0999 -.2223 -.3845 .0087 |
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O4 .0235 .2326 .0915 .0096 |
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O .0236 .0836 -.2390 .23 .0102 |
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F .0236 .0836 -.2390 .05 .0102 |
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H .197 .140 .838 .23 .020 |
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Li1 .043 -.3231 .253 .64 .017 |
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Li2 .069 -.325 .307 .36 .010 |
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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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| |
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