|
Brucite |
 |
Parise J B, Leinenweber K, Weidner D J, Tan K, Von Dreele R B |
 |
American Mineralogist 79 (1994) 193-196 |
|
Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to |
|
9.3 GPa |
|
P = 0.4 GPa |
|
_database_code_amcsd 0001637 |
|
3.1382 3.1382 4.713 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Mg 0 0 0 .005 |
|
O 1/3 2/3 .214 .005 |
|
D .367 .734 .412 .333 .017 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Parise J B, Leinenweber K, Weidner D J, Tan K, Von Dreele R B |
|
American Mineralogist 79 (1994) 193-196 |
|
Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to |
|
9.3 GPa |
|
P = 1.9 GPa |
|
_database_code_amcsd 0001638 |
|
3.1167 3.1167 4.630 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Mg 0 0 0 .007 |
|
O 1/3 2/3 .219 .007 |
|
D .373 .746 .417 .333 .013 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Parise J B, Leinenweber K, Weidner D J, Tan K, Von Dreele R B |
|
American Mineralogist 79 (1994) 193-196 |
|
Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to |
|
9.3 GPa |
|
P = 5.4 GPa |
|
_database_code_amcsd 0001639 |
|
3.0728 3.0728 4.496 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Mg 0 0 0 .010 |
|
O 1/3 2/3 .229 .010 |
|
D .389 .778 .435 .333 .012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Parise J B, Leinenweber K, Weidner D J, Tan K, Von Dreele R B |
|
American Mineralogist 79 (1994) 193-196 |
|
Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to |
|
9.3 GPa |
|
P = 9.3 GPa |
|
_database_code_amcsd 0001640 |
|
3.0365 3.0365 4.403 90 90 120 P-3m1 |
|
atom x y z occ Uiso |
|
Mg 0 0 0 .010 |
|
O 1/3 2/3 .232 .010 |
|
D .402 .804 .449 .333 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = .6 GPa |
|
_database_code_amcsd 0002432 |
|
3.1264 3.1264 4.7315 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .220 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 2.5 GPa |
|
_database_code_amcsd 0002433 |
|
3.1090 3.1090 4.6573 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .226 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 6.2 GPa |
|
_database_code_amcsd 0002434 |
|
3.0763 3.0763 4.549 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .235 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 8.9 GPa |
|
_database_code_amcsd 0002435 |
|
3.0533 3.0533 4.475 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .246 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 12.5 GPa |
|
_database_code_amcsd 0002436 |
|
3.0114 3.0114 4.353 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .250 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 16.0 GPa |
|
_database_code_amcsd 0002437 |
|
3.0003 3.0003 4.325 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .246 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Nagai T, Hattori T, Yamanaka T |
|
American Mineralogist 85 (2000) 760-764 |
|
Compression mechanism of brucite: An investigation by the structural refinement |
|
under pressure |
|
Sample: P = 18.0 GPa |
|
_database_code_amcsd 0002438 |
|
2.9838 2.9838 4.294 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .250 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Mookherjee M, Stixrude L |
|
American Mineralogist 91 (2006) 127-134 |
|
High-pressure proton disorder in brucite |
|
Locality: hypothetical structure calculated with DFT |
|
Sample: P = .3 GPa |
|
Note: cell adjusted to match Figure 2 |
|
_database_code_amcsd 0003999 |
|
5.5407 5.5407 4.8435 90 90 120 P-3 |
|
atom x y z |
|
Mg1 0 0 0 |
|
Mg2 1/3 2/3 .0109 |
|
O .3321 .3346 .2200 |
|
H .3165 .3493 .4220 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Mookherjee M, Stixrude L |
|
American Mineralogist 91 (2006) 127-134 |
|
High-pressure proton disorder in brucite |
|
Locality: hypothetical structure calculated with DFT |
|
Sample: P = 8.4 GPa |
|
Note: cell adjusted to match Figure 2 |
|
_database_code_amcsd 0004000 |
|
5.3498 5.3498 4.4014 90 90 120 P-3 |
|
atom x y z |
|
Mg1 0 0 0 |
|
Mg2 1/3 2/3 .0157 |
|
O .3317 .3362 .2396 |
|
H .3000 .3628 .4525 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Mookherjee M, Stixrude L |
|
American Mineralogist 91 (2006) 127-134 |
|
High-pressure proton disorder in brucite |
|
Locality: hypothetical structure calculated with DFT |
|
Sample: P = 119.1 GPa |
|
Note: cell adjusted to match Figure 2 |
|
_database_code_amcsd 0004001 |
|
4.5804 4.5804 4.8435 90 90 120 P-3 |
|
atom x y z |
|
Mg1 0 0 0 |
|
Mg2 1/3 2/3 .0151 |
|
O .3307 .3375 .2746 |
|
H .2146 .3777 .4811 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
Physics and Chemistry of Minerals 22 (1995) 200-206 |
|
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: |
|
a powder neutron diffraction study |
|
Sample: at P = 0.0001 GPa |
|
_database_code_amcsd 0007912 |
|
3.14979 3.14979 4.7702 90 90 120 P-3m1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg 0 0 0 .43 |
|
O 1/3 2/3 .2203 .42 |
|
H 1/3 2/3 .4130 .11121 .11121 .00901 .055605 0 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) |
| |
|
Brucite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
Physics and Chemistry of Minerals 22 (1995) 200-206 |
|
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: |
|
a powder neutron diffraction study |
|
Sample: at P = 7.8 GPa |
|
_database_code_amcsd 0007913 |
|
3.0698 3.0698 4.429 90 90 120 P-3m1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg 0 0 0 1.0 |
|
O 1/3 2/3 .2357 .61 |
|
H 1/3 2/3 .4415 .09904 .09904 .04461 .04952 0 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) |
| |
|
Brucite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
Physics and Chemistry of Minerals 22 (1995) 200-206 |
|
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: |
|
a powder neutron diffraction study |
|
Sample: at P = 10.9 GPa |
|
_database_code_amcsd 0007914 |
|
3.0467 3.0467 4.3554 90 90 120 P-3m1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg 0 0 0 .05 |
|
O 1/3 2/3 .2470 .18 |
|
H 1/3 2/3 .4480 .10773 .10773 .01450 .053865 0 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) |
| |
|
Brucite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
Physics and Chemistry of Minerals 22 (1995) 200-206 |
|
Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: |
|
a powder neutron diffraction study |
|
Sample: at P = 10.9 GPa, split H site |
|
_database_code_amcsd 0007915 |
|
3.0464 3.0464 4.3553 90 90 120 P-3m1 |
|
atom x y z occ Biso |
|
Mg 0 0 0 .01 |
|
O 1/3 2/3 .2473 .18 |
|
H .3371 .6742 .4474 1/3 .7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Aminoff G |
| |
Zeitschrift fur Kristallographie 56 (1921) 505-509 |
|
Ueber die Struktur des Magnesiumhydroxides. |
|
_cod_database_code 1010484 |
|
_database_code_amcsd 0017400 |
|
3.13 3.13 4.75 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
OH 2/3 1/3 .2222 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Brucite |
|
Zigan F, Rothbauer R |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1967 (1967) 137-143 |
|
Neutronenbeugungsmessungen am Brucit |
|
_cod_database_code 1000054 |
|
_database_code_amcsd 0014731 |
|
3.142 3.142 4.766 90 90 120 P-3m1 |
|
atom x y z |
|
Mg 0 0 0 |
|
O 1/3 2/3 .2216 |
|
H 1/3 2/3 .4303 |
|
|
| 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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