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Hydroxyl-bastnasite-(Nd) |
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Christensen N |
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Acta Chemica Scandinavica 27 (1973) 2973-2982 |
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Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure |
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of NdOHCO3 |
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_database_code_amcsd 0011932 |
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12.32 12.32 9.88 90 90 120 P-6 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Nd1 .2284 .1226 .2375 .95 .00999 .00828 .01400 .00770 .00259 -.00004 |
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Nd2 .2092 .4363 .2638 .83 .00163 .00432 .00810 -.00104 .00760 .00348 |
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Nd3 .5515 .1060 .2537 1.00 .02026 .01137 .02242 .00613 -.00353 .00456 |
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OH13 0 0 .272 1.4 |
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OH14 .3333 .6667 .230 1.5 |
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OH15 .6667 .3333 .230 1.5 |
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OH16 .339 .019 .321 1.7 |
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OH17 .654 -.012 .180 3.0 |
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C1 .510 .648 0 1.7 |
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O1 .511 .755 0 1.0 |
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O2 .512 .596 .115 1.0 |
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C2 .0144 .185 0 3.0 |
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O3 -.101 .090 0 3.0 |
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O4 .073 .231 .115 2.3 |
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C3 .460 .149 0 3.0 |
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O5 .529 .095 0 3.0 |
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O6 .428 .178 .115 1.7 |
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C4 .444 .580 .5 1.9 |
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O7 .501 .703 .5 .2 |
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O8 .419 .519 .615 1.3 |
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C5 .470 .322 .5 5.1 |
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O9 .572 .433 .5 3.0 |
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O10 .422 .265 .615 2.3 |
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C6 .171 .196 .5 2.5 |
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O11 .183 .096 .5 2.3 |
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O12 .169 .248 .615 2.9 |
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| Download AMC data (View Text File)
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Hydroxylbastnasite-(Nd) |
|
Christensen N |
| |
Acta Chemica Scandinavica 27 (1973) 2973-2982 |
|
Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure |
|
of NdOHCO3 |
|
_database_code_amcsd 0011933 |
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12.32 12.32 9.88 90 90 120 P-6 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Nd1 .2284 .1226 .2375 .95 .00999 .00828 .01400 .00770 .00259 -.00004 |
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Nd2 .2092 .4363 .2638 .83 .00163 .00432 .00810 -.00104 .00760 .00348 |
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Nd3 .5515 .1060 .2537 1.00 .02026 .01137 .02242 .00613 -.00353 .00456 |
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OH13 0 0 .272 1.4 |
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OH14 .3333 .6667 .230 1.5 |
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OH15 .6667 .3333 .230 1.5 |
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OH16 .339 .019 .321 1.7 |
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OH17 .654 -.012 .180 3.0 |
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C1 .510 .648 0 1.7 |
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O1 .511 .755 0 1.0 |
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O2 .512 .596 .115 1.0 |
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C2 .0144 .185 0 3.0 |
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O3 -.101 .090 0 3.0 |
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O4 .073 .231 .115 2.3 |
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C3 .460 .149 0 3.0 |
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O5 .529 .095 0 3.0 |
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O6 .428 .178 .115 1.7 |
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C4 .444 .580 .5 1.9 |
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O7 .501 .703 .5 .2 |
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O8 .419 .519 .615 1.3 |
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C5 .470 .322 .5 5.1 |
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O9 .572 .433 .5 3.0 |
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O10 .422 .265 .615 2.3 |
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C6 .171 .196 .5 2.5 |
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O11 .183 .096 .5 2.3 |
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O12 .169 .248 .615 2.9 |
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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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Guyanaite |
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Christensen N, Hansen P, Lehmann M S |
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Journal of Solid State Chemistry 19 (1976) 299-304 |
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Isotope effects in the bonds of beta-CrOOH and beta-CrOOD |
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Locality: synthetic |
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_database_code_amcsd 0013338 |
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4.873 4.332 2.963 90 90 90 P2_1nm |
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atom x y z Biso |
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Cr 0 .2384 0 .68 |
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O1 .3205 .4816 0 .68 |
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O2 .6207 -.0075 0 .68 |
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D .5093 .2044 0 .68 |
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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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Guyanaite |
|
Christensen N, Hansen P, Lehmann M S |
| |
Journal of Solid State Chemistry 19 (1976) 299-304 |
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Isotope effects in the bonds of beta-CrOOH and beta-CrOOD |
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Locality: synthetic |
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_database_code_amcsd 0013339 |
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4.862 4.298 2.995 90 90 90 P2_1nm |
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atom x y z Biso |
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Cr 0 .2617 0 .82 |
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O1 .3788 .4814 0 .82 |
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O2 .6708 .0142 0 .82 |
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H .5275 .2110 0 .82 |
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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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Guyanaite |
|
Christensen N, Hansen P, Lehmann M S |
| |
Journal of Solid State Chemistry 19 (1976) 299-304 |
|
Isotope effects in the bonds of beta-CrOOH and beta-CrOOD |
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Locality: synthetic |
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_database_code_amcsd 0013340 |
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4.873 4.332 2.963 90 90 90 Pnnm |
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atom x y z occ Biso |
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Cr 0 0 0 .15 |
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O1 .3499 .2421 0 .15 |
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D .4562 .0401 0 .5 .15 |
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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
|
| |
|
Guyanaite |
|
Christensen N, Hansen P, Lehmann M S |
| |
Journal of Solid State Chemistry 19 (1976) 299-304 |
|
Isotope effects in the bonds of beta-CrOOH and beta-CrOOD |
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Locality: synthetic |
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_database_code_amcsd 0013341 |
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4.862 4.298 2.995 90 90 90 Pnnm |
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atom x y z occ Biso |
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Cr 0 0 0 .62 |
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O1 .3526 .2357 0 .62 |
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H .4994 .0395 0 .5 .62 |
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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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Germanium |
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Takemura K, Schwarz U, Syassen K, Christensen N E, Hanfland M, Novikov D L, |
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Loa I |
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Physica Status Solidi B223 (2001) 385-390 |
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High-pressure structures of Ge above 100 GPa |
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Locality: Synthetic |
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Sample: at P = 135 GPa |
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Note: structure theoretically calculated based on experimental data |
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_database_code_amcsd 0015111 |
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7.886 4.656 4.667 90 90 90 Cmca |
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atom x y z |
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Ge1 .2210 0 0 |
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Ge2 0 .1721 .3138 |
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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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