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
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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
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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
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 )
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