|
Guyanaite |
 |
Jahn S, Wunder B, Koch-Muller M, Tarrieu L, Pohle M, Watenphul A, Taran M N |
| |
European Journal of Mineralogy 24 (2012) 839-850 |
|
Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: |
|
evidence from spectroscopy and ab initio simulations |
|
Sample: Run LT9 |
|
Locality: synthetic at 4.0 GPa and 600 deg C for 24 hours |
|
_database_code_amcsd 0019391 |
|
4.8623 4.2972 2.9567 90 90 90 P2_1nm |
|
atom x y z |
|
Cr 0 .256 0 |
|
O1 .364 .469 0 |
|
O2 .667 .003 0 |
|
H .5275 .2110 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Guyanaite |
|
Jahn S, Wunder B, Koch-Muller M, Tarrieu L, Pohle M, Watenphul A, Taran M N |
| |
European Journal of Mineralogy 24 (2012) 839-850 |
|
Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: |
|
evidence from spectroscopy and ab initio simulations |
|
Sample: Run LT9 |
|
Locality: synthetic at 4.0 GPa and 600 deg C for 24 hours |
|
_database_code_amcsd 0019392 |
|
4.8623 4.2972 2.9567 90 90 90 Pnnm |
|
atom x y z |
|
Cr 0 0 0 |
|
O .349 .235 0 |
|
H .518 .015 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Guyanaite |
|
Jahn S, Wunder B, Koch-Muller M, Tarrieu L, Pohle M, Watenphul A, Taran M N |
| |
European Journal of Mineralogy 24 (2012) 839-850 |
|
Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: |
|
evidence from spectroscopy and ab initio simulations |
|
Sample: Run #630 |
|
Locality: synthetic at 4.0 GPa and 600 deg C for 24 hours |
|
_database_code_amcsd 0019393 |
|
4.8691 4.3184 2.9594 90 90 90 Pnnm |
|
atom x y z |
|
Cr 0 0 0 |
|
O .353 .243 0 |
|
H .5219 .0415 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
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 |
|
Locality: synthetic |
|
_database_code_amcsd 0013338 |
|
4.873 4.332 2.963 90 90 90 P2_1nm |
|
atom x y z Biso |
|
Cr 0 .2384 0 .68 |
|
O1 .3205 .4816 0 .68 |
|
O2 .6207 -.0075 0 .68 |
|
D .5093 .2044 0 .68 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
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 |
|
Locality: synthetic |
|
_database_code_amcsd 0013339 |
|
4.862 4.298 2.995 90 90 90 P2_1nm |
|
atom x y z Biso |
|
Cr 0 .2617 0 .82 |
|
O1 .3788 .4814 0 .82 |
|
O2 .6708 .0142 0 .82 |
|
H .5275 .2110 0 .82 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
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 |
|
Locality: synthetic |
|
_database_code_amcsd 0013340 |
|
4.873 4.332 2.963 90 90 90 Pnnm |
|
atom x y z occ Biso |
|
Cr 0 0 0 .15 |
|
O1 .3499 .2421 0 .15 |
|
D .4562 .0401 0 .5 .15 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
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 |
|
Locality: synthetic |
|
_database_code_amcsd 0013341 |
|
4.862 4.298 2.995 90 90 90 Pnnm |
|
atom x y z occ Biso |
|
Cr 0 0 0 .62 |
|
O1 .3526 .2357 0 .62 |
|
H .4994 .0395 0 .5 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Guyanaite |
|
Pernet M, Berthet-Colominas C, Alario-Franco M, Christensen A |
| |
Physica Status Solidi A43 (1977) 81-88 |
|
Etude par diffraction neutronique de l'oxyhydroxyde de chrome beta-CrO OH |
|
_cod_database_code 1008756 |
|
_database_code_amcsd 0016633 |
|
4.858 4.292 2.955 90 90 90 P2_1nm |
|
atom x y z |
|
Cr1 0 .262 0 |
|
O1 .345 .509 0 |
|
O2 .636 .015 0 |
|
H1 .473 .215 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Guyanaite |
|
Pernet M, Berthet-Colominas C, Alario-Franco M, Christensen A |
| |
Physica Status Solidi A43 (1977) 81-88 |
|
Etude par diffraction neutronique de l'oxyhydroxyde de chrome beta-CrO OH |
|
_cod_database_code 1008763 |
|
_database_code_amcsd 0016640 |
|
4.858 4.292 2.955 90 90 90 P2_1nm |
|
atom x y z |
|
Cr1 0 .262 0 |
|
O1 .345 .509 0 |
|
O2 .636 .015 0 |
|
H1 .473 .215 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
