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Kalicinite |
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Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
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American Mineralogist 88 (2003) 1446-1451 |
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Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
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and local structural changes around hydrogen atoms |
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Sample: at P = 0 GPa |
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15.192 5.6290 3.7067 90 104.538 90 P2_1/a |
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atom x y z |
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K1 .1650 .031 .300 |
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C1 .120 .521 -.143 |
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D1 .017 .695 -.444 |
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O1 .1944 .535 .090 |
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O2 .0794 .720 -.269 |
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O3 .0849 .327 -.273 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Kalicinite |
|
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
|
American Mineralogist 88 (2003) 1446-1451 |
|
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
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and local structural changes around hydrogen atoms |
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Sample: at P = 0.2 GPa |
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15.103 5.6152 3.6963 90 104.19 90 P2_1/a |
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atom x y z |
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K1 .172 .021 .281 |
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C1 .125 .521 -.133 |
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D1 .014 .681 -.451 |
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O1 .193 .531 .115 |
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O2 .082 .715 -.274 |
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O3 .090 .321 -.288 |
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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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| |
|
Kalicinite |
|
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
|
American Mineralogist 88 (2003) 1446-1451 |
|
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
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and local structural changes around hydrogen atoms |
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Sample: at P = 1.8 GPa |
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14.746 5.555 3.6452 90 102.87 90 P2_1/a |
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atom x y z |
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K1 .163 -.017 .296 |
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C1 .121 .478 -.125 |
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D1 .016 .691 -.412 |
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O1 .189 .523 .120 |
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O2 .080 .684 -.253 |
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O3 .085 .270 -.301 |
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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
|
| |
|
Kalicinite |
|
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
|
American Mineralogist 88 (2003) 1446-1451 |
|
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
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and local structural changes around hydrogen atoms |
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Sample: at P = 2.3 GPa |
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14.481 5.510 3.616 90 101.94 90 P2_1/a |
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atom x y z |
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K1 .164 .014 .285 |
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C1 .120 .539 -.108 |
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D1 .011 .699 -.432 |
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O1 .196 .534 .127 |
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O2 .080 .722 -.294 |
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O3 .083 .321 -.254 |
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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
|
| |
|
Kalicinite |
|
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B |
|
American Mineralogist 88 (2003) 1446-1451 |
|
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa |
|
and local structural changes around hydrogen atoms |
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Sample: at P = 2.5 GPa |
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14.379 5.494 3.609 90 101.64 90 P2_1/a |
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atom x y z |
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K1 .162 .021 .298 |
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C1 .121 .541 -.104 |
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D1 .014 .707 -.425 |
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O1 .195 .532 .123 |
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O2 .079 .728 -.301 |
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O3 .083 .329 -.239 |
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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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Kalicinite |
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Nitta I, Tomiie Y, Koo C H |
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Acta Crystallographica 5 (1952) 292-292 |
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The crystal structure of potassium bicarbonate, KHCO3 |
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15.11 5.67 3.71 90 103.75 90 P2_1/a |
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atom x y z Biso |
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K .1633 .021 .301 1.77 |
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C .1177 .529 -.150 1.77 |
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OI .1960 .541 .078 1.77 |
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OII .0813 .725 -.317 1.77 |
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OIII .0789 .320 -.233 1.77 |
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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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Kalicinite |
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Nitta I, Tomiie Y, Koo C H |
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Acta Crystallographica 7 (1954) 140-141 |
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On the relation among the results of various |
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investigations on potassium bicarbonate, KHCO3 |
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15.176 5.630 3.708 90 104.52 90 P2_1/a |
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atom x y z |
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K .1633 .021 .301 |
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C .1177 .529 -.150 |
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OI .1960 .541 .078 |
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OII .0813 .725 -.317 |
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OIII .0789 .320 -.233 |
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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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