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(Li.5K.5)2CO3 |
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Idemoto Y, Richardson J W, Koura N, Kohara S, Loong C K |
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Journal of Physics and Chemistry of Solids 59 (1998) 363-376 |
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Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1) |
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by neutron powder diffraction analysis |
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Sample: contains only 7Li |
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_database_code_amcsd 0013244 |
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7.22284 7.07673 7.59397 90 127.421 90 P2_1/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li .4004 .0676 .1019 .0234 .0356 .0384 .0068 .0275 .0025 |
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K -.1716 .3553 .1685 .0225 .0220 .0447 -.0010 .0234 .0023 |
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C .2939 .3326 .2132 .0206 .0189 .0254 -.0023 .0165 -.0039 |
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O1 .7436 -.0243 .2092 .0296 .0193 .0310 .0030 .0240 .0075 |
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O2 .1596 .1899 .1294 .0301 .0168 .0421 -.0032 .0277 -.0026 |
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O3 .4787 .3328 .2207 .0285 .0287 .0552 -.0094 .0346 -.0153 |
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(Li.5K.5)2CO3 |
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Idemoto Y, Richardson J W, Koura N, Kohara S, Loong C K |
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Journal of Physics and Chemistry of Solids 59 (1998) 363-376 |
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Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1) |
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by neutron powder diffraction analysis |
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Sample: contains natural Li |
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_database_code_amcsd 0013245 |
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7.22806 7.08181 7.59999 90 127.418 90 P2_1/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li .4033 .0723 .1022 .0175 .0404 .0238 .0187 .0164 .0157 |
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K -.1721 .3530 .1683 .0097 .0171 .0280 -.0022 .0121 .0010 |
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C .2940 .3330 .2121 .0074 .0056 .0099 -.0063 .0069 -.0106 |
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O1 .7441 -.0232 .2101 .0152 .0082 .0143 .0006 .0114 .0077 |
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O2 .1606 .1894 .1313 .0112 .0110 .0218 -.0060 .0120 -.0053 |
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O3 .4786 .3331 .2203 .0115 .0216 .0291 -.0056 .0164 -.1160 |
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Zabuyelite |
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Idemoto Y, Richardson J W, Koura N, Kohara S, Loong C K |
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Journal of Physics and Chemistry of Solids 59 (1998) 363-376 |
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Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1) |
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by neutron powder diffraction analysis |
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Locality: synthetic |
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Sample: neutron powder diffraction refinement of raw material |
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_database_code_amcsd 0013246 |
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8.35884 4.97375 6.19377 90 114.789 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li .1968 .4454 .8334 .0111 .0162 .0241 -.0005 .0083 -.0031 |
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C 0 .0665 .25 .0101 .0072 .0138 0 .0051 0 |
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O1 0 .3213 .25 .0128 .0037 .0444 0 .0122 0 |
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O2 .1463 -.0631 .3133 .0093 .0084 .0209 .0044 .0074 .0013 |
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View JMOL 3-D Structure
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Zabuyelite |
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Idemoto Y, Richardson J W, Koura N, Kohara S, Loong C K |
| |
Journal of Physics and Chemistry of Solids 59 (1998) 363-376 |
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Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1) |
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by neutron powder diffraction analysis |
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Locality: synthetic |
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Sample: neutron powder diffraction of melt and quench product |
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_database_code_amcsd 0013247 |
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8.35263 4.97353 6.18942 90 114.677 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li .1955 .4443 .8312 .0095 .0198 .0322 -.0018 .0109 -.0070 |
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C 0 .0676 .25 .0110 .0086 .0241 0 .0089 0 |
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O1 0 .3231 .25 .0142 .0042 .0494 0 .0143 0 |
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O2 .1468 -.0634 .3136 .0088 .0097 .0329 .0040 .0101 .0018 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Zabuyelite |
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Idemoto Y, Richardson J W, Koura N, Kohara S, Loong C K |
| |
Journal of Physics and Chemistry of Solids 59 (1998) 363-376 |
|
Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1) |
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by neutron powder diffraction analysis |
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Locality: synthetic |
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Sample: single crystal X-ray diffraction refinement |
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Note: y(O1) changed to match reported bond lengths |
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_database_code_amcsd 0013248 |
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8.3593 4.9725 6.1975 90 114.83 90 C2/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Li .1965 .4484 .8344 .0053 .0139 .0111 .0007 .0034 .0011 |
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C 0 .0657 .25 .0035 .0094 .0051 0 .0019 0 |
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O1 0 .3213 .25 .0047 .0060 .0194 0 .0037 0 |
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O2 .1459 -.0635 .3127 .0037 .0097 .0102 .0016 .0024 .0010 |
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K2CO3 |
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Idemoto Y, Richardson J W, Koura N, Kohara S, Loong C K |
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Journal of Physics and Chemistry of Solids 59 (1998) 363-376 |
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Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1) |
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by neutron powder diffraction analysis |
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Sample: neutron powder diffraction refinement |
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_database_code_amcsd 0013249 |
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5.63961 9.83912 6.87407 90 98.703 90 P2_1/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .2418 .0831 .2148 .0132 .0134 .0406 -.0026 .0090 -.0004 |
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K2 .7391 .2602 .9720 .0293 .0220 .0182 .0048 .0055 .0031 |
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C .2455 .4174 .2489 .0116 .0153 .0160 -.0004 .0068 .0003 |
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O1 .7368 .0430 .2014 .0240 .0128 .0405 .0017 .109 .0026 |
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O2 .0631 .3488 .2770 .0119 .0214 .0450 -.0093 .0137 -.0044 |
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O3 .4147 .3609 .1718 .0274 .0248 .0367 .0009 .0159 -.0077 |
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K2CO3 |
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Idemoto Y, Richardson J W, Koura N, Kohara S, Loong C K |
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Journal of Physics and Chemistry of Solids 59 (1998) 363-376 |
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Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1) |
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by neutron powder diffraction analysis |
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Sample: single crystal X-ray diffraction refinement |
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Note: y(K1) changed to match reported bond lengths |
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_database_code_amcsd 0013250 |
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5.64 9.80 6.88 90 98.8 90 P2_1/c |
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atom x y z Biso |
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K1 .2418 .0831 .2144 2.96 |
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K2 .7391 .2507 .9754 2.49 |
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C .250 .420 .243 2.58 |
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O1 .735 .044 .199 3.45 |
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O2 .063 .348 .276 3.04 |
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O3 .421 .362 .173 3.72 |
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(Li.43K.57)2CO3 |
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Idemoto Y, Richardson J W, Koura N, Kohara S, Loong C K |
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Journal of Physics and Chemistry of Solids 59 (1998) 363-376 |
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Crystal structure of (LixK1-x)2CO3 (x = 0,0.43,0.5,0.62,1) |
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by neutron powder diffraction analysis |
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Note: occupancies invented to match formula |
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_database_code_amcsd 0013251 |
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7.2232 7.0769 7.5951 90 127.422 90 P2_1/c |
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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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Li1 .4030 .0681 .1007 .86 .0122 .0178 .0215 .0043 .0155 .0007 |
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K1 .4030 .0681 .1007 .14 .0122 .0178 .0215 .0043 .0155 .0007 |
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K2 -.1720 .3545 .1670 .0087 .0165 .0409 -.0024 .0162 -.0018 |
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C .2938 .3322 .2136 .0130 .0083 .0203 -.0045 .0142 -.0065 |
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O1 .7437 -.0244 .2104 .0197 .0101 .0229 .0044 .0170 .0071 |
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O2 .1602 .1898 .1293 .0180 .0084 .0438 -.0029 .0234 -.0012 |
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O3 .4785 .3327 .2194 .0185 .0217 .0501 -.0059 .0294 -.0102 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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