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Phlogopite |
 |
Russell R L, Guggenheim S |
 |
The Canadian Mineralogist 37 (1999) 711-720 |
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The crystal structures of near-end-member phlogopite at high temperatures |
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and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
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Note: untreated, room temperature, Fe-rich phlogopite |
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Locality: Silver Crater mine, Ontario, Canada |
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_database_code_amcsd 0005597 |
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5.3346 9.2417 10.182 90 100.26 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .0 .92 .0482 .043 .046 .055 0 .009 0 |
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Na 0 .5 .0 .08 .0482 .043 .046 .055 0 .009 0 |
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Mg1 0 0 .5 .54 .0205 .0165 .0181 .0272 0 .0053 0 |
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Fe1 0 0 .5 .41 .0205 .0165 .0181 .0272 0 .0053 0 |
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Ti1 0 0 .5 .03 .0205 .0165 .0181 .0272 0 .0053 0 |
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Mn1 0 0 .5 .02 .0205 .0165 .0181 .0272 0 .0053 0 |
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Mg2 0 .3333 .5 .54 .0228 .0174 .0225 .0286 0 .0042 0 |
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Fe2 0 .3333 .5 .41 .0228 .0174 .0225 .0286 0 .0042 0 |
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Ti2 0 .3333 .5 .03 .0228 .0174 .0225 .0286 0 .0042 0 |
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Mn2 0 .3333 .5 .02 .0228 .0174 .0225 .0286 0 .0042 0 |
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Si .0744 .1666 .2252 .745 .0203 .0169 .0194 .0247 .0000 .0037 .0001 |
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Al .0744 .1666 .2252 .255 .0203 .0169 .0194 .0247 .0000 .0037 .0001 |
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O1 .0330 0 .1668 .029 .035 .023 .026 0 .001 0 |
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O2 .3154 .2391 .1670 .0308 .026 .036 .031 -.007 .007 -.003 |
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O3 .1307 .1668 .3893 .0222 .020 .022 .025 .0000 .0042 .000 |
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OH4 .1299 .5 .3958 .53 .027 .022 .025 .033 0 .005 0 |
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F4 .1299 .5 .3958 .47 .027 .022 .025 .033 0 .005 0 |
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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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| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O,OH,F site |
|
Sample: heat-treated at 904 degrees C for 24 hours, Fe-rich phlogopite |
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Locality: Silver Crater mine, Ontario, Canada |
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_database_code_amcsd 0005598 |
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5.3099 9.185 10.093 90 100.07 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .0 .92 .0327 .031 .029 .039 0 .007 0 |
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Na 0 .5 .0 .04 .0327 .031 .029 .039 0 .007 0 |
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Mg1 0 0 .5 .52 .0181 .0144 .0132 .028 0 .0058 0 |
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Fe1 0 0 .5 .39 .0181 .0144 .0132 .028 0 .0058 0 |
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Ti1 0 0 .5 .04 .0181 .0144 .0132 .028 0 .0058 0 |
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Mn1 0 0 .5 .02 .0181 .0144 .0132 .028 0 .0058 0 |
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Mg2 0 .3420 .5 .52 .0145 .0086 .0131 .0216 0 .0022 0 |
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Fe2 0 .3420 .5 .39 .0145 .0086 .0131 .0216 0 .0022 0 |
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Ti2 0 .3420 .5 .04 .0145 .0086 .0131 .0216 0 .0022 0 |
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Mn2 0 .3420 .5 .02 .0145 .0086 .0131 .0216 0 .0022 0 |
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Si .0734 .1674 .2232 .743 .0112 .0081 .0078 .0177 .0000 .0025 .0001 |
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Al .0734 .1674 .2232 .251 .0112 .0081 .0078 .0177 .0000 .0025 .0001 |
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Ti .0734 .1674 .2232 .006 .0112 .0081 .0078 .0177 .0000 .0025 .0001 |
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O1 .0310 0 .1661 .020 .028 .011 .021 0 .003 0 |
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O2 .3155 .2380 .1645 .0216 .016 .025 .024 -.005 .005 -.002 |
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O3 .1295 .1694 .3896 .0128 .010 .011 .017 .001 .002 .001 |
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OH4 .1359 .5 .4010 .53 .016 .014 .012 .023 0 .004 0 |
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F4 .1359 .5 .4010 .47 .016 .014 .012 .023 0 .004 0 |
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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
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
|
Sample: T = 20 deg C |
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Locality: White Well, Australia |
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_database_code_amcsd 0005599 |
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5.3030 9.1805 10.2483 90 100.05 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .0 .82 .3409 .0355 .0381 0 .0056 0 |
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Na 0 .5 .0 .115 .3409 .0355 .0381 0 .0056 0 |
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Mg1 0 0 .5 .76 .0033 .0022 .0158 0 .0022 0 |
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Al1 0 0 .5 .165 .0033 .0022 .0158 0 .0022 0 |
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Fe1 0 0 .5 .04 .0033 .0022 .0158 0 .0022 0 |
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Mg2 0 .3318 .5 .76 .0007 .0025 .0145 0 .0006 0 |
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Al2 0 .3318 .5 .165 .0007 .0025 .0145 0 .0006 0 |
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Fe2 0 .3318 .5 .04 .0007 .0025 .0145 0 .0006 0 |
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Si .0759 .1668 .2282 .696 .0051 .0060 .0159 0 .0021 0 |
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Al .0759 .1668 .2282 .304 .0051 .0060 .0159 0 .0021 0 |
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O1 -.0001 0 .1713 .0165 .0152 .0215 0 .0019 0 |
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O2 .3364 .2214 .1714 .0107 .0177 .0254 .0063 .0060 .0042 |
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O3 .1317 .1677 .3925 .0061 .0059 .0176 .0002 .0012 .0003 |
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OH4 .1309 .5 .3985 .966 .0166 .0175 .0292 0 .0020 0 |
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F4 .1309 .5 .3985 .034 .0166 .0175 .0292 0 .0020 0 |
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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
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
|
Sample: T = 300 deg C |
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Locality: White Well, Australia |
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_database_code_amcsd 0005600 |
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5.3193 9.207 10.286 90 100.042 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .0 .82 .0705 .0792 .0535 0 .0067 0 |
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Na 0 .5 .0 .115 .0705 .0792 .0535 0 .0067 0 |
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Mg1 0 0 .5 .76 .0154 .0296 .0208 0 .0021 0 |
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Al1 0 0 .5 .165 .0154 .0296 .0208 0 .0021 0 |
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Fe1 0 0 .5 .04 .0154 .0296 .0208 0 .0021 0 |
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Mg2 0 .3319 .5 .76 .0151 .0306 .0196 0 .0008 0 |
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Al2 0 .3319 .5 .165 .0151 .0306 .0196 0 .0008 0 |
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Fe2 0 .3319 .5 .04 .0151 .0306 .0196 0 .0008 0 |
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Si .0769 .1669 .2290 .696 .0200 .0316 .0196 .0003 .0014 -.0004 |
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Al .0769 .1669 .2290 .304 .0200 .0316 .0196 .0003 .0014 -.0004 |
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O1 .0096 0 .1796 .0391 .0304 .0324 0 .0041 0 |
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O2 .3318 .2251 .1730 .0311 .0413 .0332 -.0000 .0071 -.009 |
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O3 .1314 .1675 .3934 .0220 .0332 .0213 .0032 .0014 .0000 |
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OH4 .1311 .5 .3977 .966 .0331 .0451 .0375 0 .0016 0 |
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F4 .1311 .5 .3977 .034 .0331 .0451 .0375 0 .0016 0 |
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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
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
|
Sample: T = 450 deg C |
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Locality: White Well, Australia |
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_database_code_amcsd 0005601 |
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5.3331 9.2316 10.3159 90 100.004 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .0 .82 .0865 .0923 .0689 0 .0133 0 |
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Na 0 .5 .0 .115 .0865 .0923 .0689 0 .0133 0 |
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Mg1 0 0 .5 .76 .0159 .0300 .0258 0 .0043 0 |
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Al1 0 0 .5 .165 .0159 .0300 .0258 0 .0043 0 |
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Fe1 0 0 .5 .04 .0159 .0300 .0258 0 .0043 0 |
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Mg2 0 .3317 .5 .76 .0157 .0302 .0239 0 .0018 0 |
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Al2 0 .3317 .5 .165 .0157 .0302 .0239 0 .0018 0 |
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Fe2 0 .3317 .5 .04 .0157 .0302 .0239 0 .0018 0 |
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Si .0768 .1668 .2296 .696 .0206 .0308 .0232 .0003 .0028 -.0001 |
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Al .0768 .1668 .2296 .304 .0206 .0308 .0232 .0003 .0028 -.0001 |
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O1 .0179 0 .1727 .0457 .0291 .0382 0 .0012 0 |
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O2 .3373 .2289 .1733 .0319 .0429 .0398 -.0090 .0089 -.0078 |
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O3 .1315 .1673 .3933 .0227 .0350 .0255 .0018 .0022 -.0011 |
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OH4 .1320 .5 .3978 .966 .0359 .0473 .0461 0 .0046 0 |
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F4 .1320 .5 .3978 .034 .0359 .0473 .0461 0 .0046 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phlogopite |
|
Russell R L, Guggenheim S |
|
The Canadian Mineralogist 37 (1999) 711-720 |
|
The crystal structures of near-end-member phlogopite at high temperatures |
|
and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site |
|
Sample: T = 600 deg C |
|
Locality: White Well, Australia |
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_database_code_amcsd 0005602 |
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5.342 9.238 10.357 90 99.99 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .0 .82 .0918 .1054 .0864 0 .0154 0 |
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Na 0 .5 .0 .115 .0918 .1054 .0864 0 .0154 0 |
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Mg1 0 0 .5 .76 .0151 .0212 .0333 0 .0067 0 |
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Al1 0 0 .5 .165 .0151 .0212 .0333 0 .0067 0 |
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Fe1 0 0 .5 .04 .0151 .0212 .0333 0 .0067 0 |
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Mg2 0 .3317 .5 .76 .0131 .0207 .0312 0 .0045 0 |
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Al2 0 .3317 .5 .165 .0131 .0207 .0312 0 .0045 0 |
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Fe2 0 .3317 .5 .04 .0131 .0207 .0312 0 .0045 0 |
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Si .0711 .1667 .2307 .696 .0162 .0230 .0316 -.0004 .0054 .0003 |
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Al .0711 .1667 .2307 .304 .0162 .0230 .0316 -.0004 .0054 .0003 |
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O1 .0238 0 .1731 .0449 .0223 .0452 0 .0004 0 |
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O2 .3254 .2334 .1732 .0263 .0417 .0501 -.0182 .0110 -.0027 |
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O3 .1312 .1673 .3928 .0212 .0323 .0314 -.0010 .0046 -.0013 |
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OH4 .1312 .5 .3976 .966 .0367 .0502 .0600 0 .0076 0 |
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F4 .1312 .5 .3976 .034 .0367 .0502 .0600 0 .0076 0 |
|
|
| 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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