Pyrochroite
Parise J B, Theroux B, Li R, Loveday J S, Marshall W G, Klotz S
Physics and Chemistry of Minerals 25 (1998) 130-137
Pressure dependence of hydrogen bonding in metal deuteroxides:
a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
Sample: P = 0.0 GPa
_database_code_amcsd 0008112
3.318 3.318 4.717 90 90 120 P-3m1
atom x y z occ Uiso
Mn 0 0 0 .005
O 1/3 2/3 .223 .013
D .367 -.367 .419 1/3 .018
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Pyrochroite
Parise J B, Theroux B, Li R, Loveday J S, Marshall W G, Klotz S
Physics and Chemistry of Minerals 25 (1998) 130-137
Pressure dependence of hydrogen bonding in metal deuteroxides:
a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
Sample: P = 0.7 GPa
_database_code_amcsd 0008113
3.305 3.305 4.675 90 90 120 P-3m1
atom x y z occ Uiso
Mn 0 0 0 .005
O 1/3 2/3 .229 .015
D .369 -.369 .426 1/3 .019
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Pyrochroite
Parise J B, Theroux B, Li R, Loveday J S, Marshall W G, Klotz S
Physics and Chemistry of Minerals 25 (1998) 130-137
Pressure dependence of hydrogen bonding in metal deuteroxides:
a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
Sample: P = 2.4 GPa
_database_code_amcsd 0008114
3.281 3.281 4.579 90 90 120 P-3m1
atom x y z occ Uiso
Mn 0 0 0 .009
O 1/3 2/3 .234 .015
D .376 -.376 .439 1/3 .022
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Pyrochroite
Parise J B, Theroux B, Li R, Loveday J S, Marshall W G, Klotz S
Physics and Chemistry of Minerals 25 (1998) 130-137
Pressure dependence of hydrogen bonding in metal deuteroxides:
a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
Sample: P = 4.6 GPa
_database_code_amcsd 0008115
3.250 3.250 4.497 90 90 120 P-3m1
atom x y z occ Uiso
Mn 0 0 0 .003
O 1/3 2/3 .242 .008
D .376 -.376 .446 1/3 .016
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Pyrochroite
Parise J B, Theroux B, Li R, Loveday J S, Marshall W G, Klotz S
Physics and Chemistry of Minerals 25 (1998) 130-137
Pressure dependence of hydrogen bonding in metal deuteroxides:
a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
Sample: P = 7.8 GPa
_database_code_amcsd 0008116
3.208 3.208 4.416 90 90 120 P-3m1
atom x y z occ Uiso
Mn 0 0 0 .008
O 1/3 2/3 .246 .006
D .383 -.383 .461 1/3 .016
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Pyrochroite
Wyckoff R W G
Crystal Structures 1 (1963) 239-444
Second edition. Interscience Publishers, New York, New York
Note: cadmium iodide structure
_database_code_amcsd 0011790
3.34 3.34 4.68 90 90 120 P-3m1
atom x y z
Mn 0 0 0
OH 1/3 2/3 .25
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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