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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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_database_code_amcsd 0003172 |
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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 (permalink) |
| |
|
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 = 0.2 GPa |
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_database_code_amcsd 0003173 |
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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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
Sample: at P = 1.8 GPa |
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_database_code_amcsd 0003174 |
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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 (permalink) |
| |
|
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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_database_code_amcsd 0003175 |
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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 (permalink) |
| |
|
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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_database_code_amcsd 0003176 |
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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 (permalink) |
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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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_database_code_amcsd 0009145 |
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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)
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View JMOL 3-D Structure (permalink) |
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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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_database_code_amcsd 0009158 |
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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)
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View JMOL 3-D Structure (permalink) |
| |
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Kalicinite |
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Thomas J O, Tellgren R, Olovsson I |
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Acta Crystallographica B30 (1974) 1155-1166 |
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Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
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of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
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Locality: Synthetic |
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Note: T = 298 K |
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_database_code_amcsd 0018502 |
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15.1725 5.6283 3.7110 90 104.631 90 P2_1/a |
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atom x y z |
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K .16533 .02177 .29533 |
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H .011 .682 -.465 |
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C .11967 .51500 -.14363 |
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O(1) .19329 .52915 .09482 |
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O(2) .08221 .31998 -.27353 |
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O(3) .07761 .71772 -.27448 |
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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 (permalink) |
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
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of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
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Locality: Synthetic |
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Note: T = 219 K |
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_database_code_amcsd 0018503 |
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15.1538 5.6186 3.6868 90 104.356 90 P2_1/a |
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atom x y z |
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K .16561 .03227 .29500 |
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H .016 .694 -.451 |
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C .11977 .52253 -.14404 |
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O(1) .19336 .54280 .09426 |
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O(2) .08305 .32869 -.27406 |
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O(3) .07657 .72763 -.27523 |
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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 (permalink) |
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
|
of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
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Locality: Synthetic |
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Note: T = 95 K |
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Note z-coordinate of O3 has been modified with a negative sign |
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_database_code_amcsd 0018504 |
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15.1150 5.6044 3.6609 90 103.980 90 P2_1/a |
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atom x y z |
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K .16595 .03487 .29497 |
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H .025 .704 -.437 |
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C .11972 .52447 -.14471 |
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O(1) .19339 .54594 .09602 |
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O(2) .08305 .32975 -.27538 |
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O(3) .07652 .73126 -.27632 |
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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 (permalink) |
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
|
of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
|
Locality: Synthetic |
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Note: T = 298 K |
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_database_code_amcsd 0018505 |
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15.1948 5.6307 3.7107 90 104.567 90 P2_1/a |
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atom x y z |
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K .16540 .02850 .29583 |
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D .021 .691 -.449 |
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C .12005 .51990 -.14296 |
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O(1) .19350 .53839 .09399 |
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O(2) .08330 .32577 -.27233 |
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O(3) .07721 .72337 -.27330 |
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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 (permalink) |
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
|
of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
|
Locality: Synthetic |
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Note: T = 219 K |
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_database_code_amcsd 0018506 |
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15.1700 5.6183 3.6885 90 104.297 90 P2_1/a |
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atom x y z |
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K .16564 .03511 .29554 |
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D .021 .691 -.436 |
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C .11998 .52409 -.14324 |
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O(1) .19366 .54640 .09394 |
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O(2) .08384 .33107 -.27292 |
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O(3) .07660 .72990 -.27377 |
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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 (permalink) |
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
|
of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
|
Locality: Synthetic |
|
Note: T = 95 K |
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_database_code_amcsd 0018507 |
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15.1311 5.6054 3.6644 90 103.953 90 P2_1/a |
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atom x y z |
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K .16597 .03652 .29521 |
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D .020 .698 -.440 |
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C .11996 .52529 -.14310 |
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O(1) .19359 .54843 .09574 |
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O(2) .08350 .33109 -.27406 |
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O(3) .07649 .73230 -.27458 |
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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 (permalink) |
| |
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