|
Spinel |
 |
Pavese A, Artioli G, Hull S |
 |
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 0.0 kbar |
|
_database_code_amcsd 0002231 |
|
8.0704 8.0704 8.0704 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .8035 .0040 |
|
Al .125 .125 .125 .1760 .0040 |
|
Al .5 .5 .5 .9324 .0041 |
|
Mg .5 .5 .5 .0675 .0041 |
|
O .26171 .26171 .26171 .0068 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 0.7 kbar |
|
_database_code_amcsd 0002232 |
|
8.0694 8.0694 8.0694 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .8243 .0047 |
|
Al .125 .125 .125 .1552 .0047 |
|
Al .5 .5 .5 .9428 .0045 |
|
Mg .5 .5 .5 .0572 .0045 |
|
O .26174 .26174 .26174 .0073 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 6.3 kbar |
|
_database_code_amcsd 0002233 |
|
8.0616 8.0616 8.0616 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .8139 .0067 |
|
Al .125 .125 .125 .1657 .0067 |
|
Al .5 .5 .5 .9376 .0049 |
|
Mg .5 .5 .5 .0624 .0049 |
|
O .26146 .26146 .26146 .0085 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 18.2 kbar |
|
_database_code_amcsd 0002234 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .9387 .015 |
|
Al .125 .125 .125 .0500 .015 |
|
Al .5 .5 .5 .9954 .0016 |
|
O .26139 .26139 .26139 .0100 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 26.5 kbar |
|
_database_code_amcsd 0002235 |
|
8.0339 8.0339 8.0339 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .9386 .018 |
|
Al .125 .125 .125 .0558 .018 |
|
Al .5 .5 .5 .9916 .0002 |
|
Mg .5 .5 .5 .0007 .0002 |
|
O .26108 .26108 .26108 .0110 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Hull S |
|
American Mineralogist 84 (1999) 905-912 |
|
In situ powder neutron diffraction of cation partitioning vs. pressure in |
|
Mg0.94Al2.04O4 synthetic spinel |
|
Sample at P = 38.1 kbar |
|
_database_code_amcsd 0002236 |
|
8.0187 8.0187 8.0187 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Mg .125 .125 .125 .9387 .020 |
|
Al .125 .125 .125 .0459 .020 |
|
Al .5 .5 .5 .9975 .0020 |
|
O .26079 .26079 .26079 .0119 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Muscovite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
European Journal of Mineralogy 6 (1994) 171-178 |
|
Powder neutron diffraction study of 2M_1 muscovite |
|
at room pressure and at 2 GPa |
|
Sample: P = 1 bar |
|
_database_code_amcsd 0006533 |
|
5.2108 9.0399 20.021 90 95.76 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .0949 1/4 .90 2.1 |
|
Na 0 .0949 1/4 .07 2.1 |
|
Al .2489 .0834 -.0010 .80 .61 |
|
Fe .2489 .0834 -.0010 .11 .61 |
|
Mg .2489 .0834 -.0010 .08 .61 |
|
Ti .2489 .0834 -.0010 .01 .61 |
|
Si1 .4636 .9267 .1375 .80 .8 |
|
Al1 .4636 .9267 .1375 .20 .8 |
|
Si2 .4544 .2586 .1365 .80 1.2 |
|
Al2 .4544 .2586 .1365 .20 1.2 |
|
O1 .4284 .0934 .1687 1.20 |
|
O2 .2453 .8154 .1580 1.34 |
|
O3 .2475 .3663 .1695 1.48 |
|
O4 .4638 .9419 .0537 .69 |
|
O5 .3906 .2505 .0535 .82 |
|
O6 .4539 .5625 .0515 1.48 |
|
H .3642 .6525 .0559 4.2 .0042 .0035 .0006 .0000 .0018 .0002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Muscovite |
|
Catti M, Ferraris G, Hull S, Pavese A |
| |
European Journal of Mineralogy 6 (1994) 171-178 |
|
Powder neutron diffraction study of 2M_1 muscovite |
|
at room pressure and at 2 GPa |
|
Sample: P = 2 GPa |
|
_database_code_amcsd 0006534 |
|
5.187 8.995 19.502 90 95.78 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 .0949 1/4 .90 2.1 |
|
Na 0 .0949 1/4 .07 2.1 |
|
Al .2489 .0834 -.0010 .80 .61 |
|
Fe .2489 .0834 -.0010 .11 .61 |
|
Mg .2489 .0834 -.0010 .08 .61 |
|
Ti .2489 .0834 -.0010 .01 .61 |
|
Si1 .4636 .9267 .1375 .80 .8 |
|
Al1 .4636 .9267 .1375 .20 .8 |
|
Si2 .4544 .2586 .1365 .80 1.2 |
|
Al2 .4544 .2586 .1365 .20 1.2 |
|
O1 .4284 .0934 .1717 1.20 |
|
O2 .2453 .8154 .1642 1.34 |
|
O3 .2475 .3663 .1746 1.48 |
|
O4 .4638 .9419 .0537 .69 |
|
O5 .3906 .2505 .0535 .82 |
|
O6 .4648 .5693 .0501 1.48 |
|
H .374 .661 .065 4.2 .0042 .0035 .0006 .0000 .0018 .0002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
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View JMOL 3-D Structure
|
| |
|
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
|
| |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
PON |
| |
Leger J M, Haines J, Chateau C, Bocquillon G, Schmidt M W, Hull S, |
|
Gorelli F, Lesauze A, Marchand R |
| |
Physics and Chemistry of Minerals 28 (2001) 388-398 |
|
Phosphorus oxynitride PON, a silica analogue: structure and compression |
|
of the cristobalite-like phase; P-T phase diagram |
|
Note: cristobalite structure type |
|
_database_code_amcsd 0008557 |
|
4.61865 4.61865 6.97882 90 90 90 I-42d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
P 0 0 0 .0085 .0085 .0054 0 0 0 |
|
O .13803 1/4 1/8 .5 .0098 .0098 .0135 0 0 -.0072 |
|
N .13803 1/4 1/8 .5 .0098 .0098 .0135 0 0 -.0072 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
PON |
| |
Leger J M, Haines J, Chateau C, Bocquillon G, Schmidt M W, Hull S, |
|
Gorelli F, Lesauze A, Marchand R |
| |
Physics and Chemistry of Minerals 28 (2001) 388-398 |
|
Phosphorus oxynitride PON, a silica analogue: structure and compression |
|
of the cristobalite-like phase; P-T phase diagram |
|
Note: quartz structure type |
|
_database_code_amcsd 0008558 |
|
4.757 4.757 5.2460 90 90 120 *P3_221 |
|
0 0 .666666666666667 |
|
atom x y z occ |
|
P .4724 0 0 |
|
O .4053 .2669 .1159 .5 |
|
N .4053 .2669 .1159 .5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Marshite |
|
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 0 GPa |
|
Note: ZnS structure, sphalerite structure |
|
Note: known as CuI-III |
|
_database_code_amcsd 0015180 |
|
6.0545 6.0545 6.0545 90 90 90 F-43m |
|
atom x y z Biso |
|
Cu 0 0 0 2.86 |
|
I .25 .25 .25 1.77 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Marshite |
|
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 1.74 GPa |
|
Note: known as CuI-IV |
|
_database_code_amcsd 0015181 |
|
4.155 4.155 20.48 90 90 120 R-3m |
|
atom x y z Biso |
|
Cu 0 0 .1293 3.5 |
|
I1 0 0 0 1.5 |
|
I2 0 0 .5 1.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Marshite |
|
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 3.60 GPa |
|
Note: known as CuI-IV |
|
_database_code_amcsd 0015182 |
|
4.0826 4.0826 20.077 90 90 120 R-3m |
|
atom x y z Biso |
|
Cu 0 0 .1282 2.27 |
|
I1 0 0 0 1.54 |
|
I2 0 0 .5 1.54 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Marshite |
|
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 5.55 GPa |
|
Note: known as CuI-V |
|
_database_code_amcsd 0015183 |
|
4.0229 4.0229 5.6506 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Cu 0 0 0 1.32 |
|
I 0 .5 .2913 0.75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Marshite |
|
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 8.39 GPa |
|
Note: known as CuI-V |
|
_database_code_amcsd 0015184 |
|
3.9680 3.9680 5.5284 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Cu 0 0 0 0.94 |
|
I 0 .5 .2975 0.62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nantokite |
|
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 0 GPa |
|
Note: ZnS structure, sphalerite structure |
|
Note: known as CuCl-II |
|
_database_code_amcsd 0015185 |
|
5.4202 5.4202 5.4202 90 90 90 F-43m |
|
atom x y z Biso |
|
Cu 0 0 0 2.99 |
|
Cl .25 .25 .25 1.88 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nantokite |
|
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 5.52 GPa |
|
Note: known as CuCl-IV |
|
_database_code_amcsd 0015186 |
|
6.4162 6.4162 6.4162 90 90 90 Pa3 |
|
atom x y z Biso |
|
Cu .6297 .6297 .6297 2.11 |
|
Cl .1527 .1527 .1527 1.21 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nantokite |
|
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 9.24 GPa |
|
Note: known as CuCl-IV |
|
_database_code_amcsd 0015187 |
|
6.3104 6.3104 6.3104 90 90 90 Pa3 |
|
atom x y z Biso |
|
Cu .6294 .6294 .6294 2.02 |
|
Cl .1540 .1540 .1540 0.87 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nantokite |
|
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 10.49 GPa |
|
Note: rocksalt structure |
|
Note: known as CuCl-V |
|
_database_code_amcsd 0015188 |
|
4.9290 4.9290 4.9290 90 90 90 Fm3m |
|
atom x y z Biso |
|
Cu 0 0 0 1.33 |
|
Cl .5 .5 .5 0.77 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuBr |
| |
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 0 GPa |
|
Note: ZnS structure, sphalerite structure |
|
Note: known as CuBr-III |
|
_database_code_amcsd 0015189 |
|
5.6955 5.6955 5.6955 90 90 90 F-43m |
|
atom x y z Biso |
|
Cu 0 0 0 2.91 |
|
Br .25 .25 .25 1.70 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuBr |
| |
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 4.85 GPa |
|
Note: ZnS structure, sphalerite structure |
|
Note: known as CuBr-III |
|
_database_code_amcsd 0015190 |
|
5.4980 5.4980 5.4980 90 90 90 F-43m |
|
atom x y z Biso |
|
Cu 0 0 0 2.88 |
|
Br .25 .25 .25 1.55 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuBr |
| |
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 4.85 GPa |
|
Note: known as CuBr-IV |
|
_database_code_amcsd 0015191 |
|
3.9411 3.9411 5.0054 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Cu 0 0 0 2.61 |
|
Br 0 .5 .2931 1.01 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuBr |
| |
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 5.08 GPa |
|
Note: known as CuBr-IV |
|
_database_code_amcsd 0015192 |
|
3.9397 3.9397 5.0033 90 90 90 P4/nmm |
|
atom x y z Biso |
|
Cu 0 0 0 2.78 |
|
Br 0 .5 .2927 1.05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuBr |
| |
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 5.08 GPa |
|
Note: known as CuBr-V |
|
_database_code_amcsd 0015193 |
|
6.7378 6.7378 6.7378 90 90 90 Pa3 |
|
atom x y z Biso |
|
Cu .6291 .6291 .6291 2.33 |
|
Br .1525 .1525 .1525 1.13 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuBr |
| |
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 7.29 GPa |
|
Note: known as CuBr-V |
|
_database_code_amcsd 0015194 |
|
6.6674 6.6674 6.6674 90 90 90 Pa3 |
|
atom x y z Biso |
|
Cu .6289 .6289 .6289 2.20 |
|
Br .1536 .1536 .1536 0.92 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuBr |
| |
Hull S, Keen D A |
| |
Physical Review B 50 (1994) 5868-5885 |
|
High-pressure polymorphism of the copper(I) halides: |
|
A neutron-diffraction study to ~10 GPa |
|
Note: P = 9.28 GPa |
|
Note: rocksalt structure |
|
Note: known as CuBr-VI |
|
_database_code_amcsd 0015195 |
|
5.1701 5.1701 5.1701 90 90 90 Fm3m |
|
atom x y z Biso |
|
Cu 0 0 0 1.33 |
|
Br .5 .5 .5 0.77 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 0.0 GPa, Phase I |
|
_database_code_amcsd 0015197 |
|
5.5463 5.5463 5.5463 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 5.5 |
|
Cl 0 0 0 3.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 2.5 GPa, Phase I |
|
_database_code_amcsd 0015198 |
|
5.4610 5.4610 5.4610 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 5.4 |
|
Cl 0 0 0 2.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 3.9 GPa, Phase I |
|
_database_code_amcsd 0015199 |
|
5.4138 5.4138 5.4138 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 5.4 |
|
Cl 0 0 0 2.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 5.2 Gpa, Phase I |
|
_database_code_amcsd 0015200 |
|
5.3820 5.3820 5.3820 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 5.5 |
|
Cl 0 0 0 3.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 6.2 Gpa, Phase I |
|
_database_code_amcsd 0015201 |
|
5.3537 5.3537 5.3537 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 6.0 |
|
Cl 0 0 0 3.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chlorargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 6.6 GPa, Phase I |
|
_database_code_amcsd 0015202 |
|
5.346 5.346 5.346 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 7.1 |
|
Cl 0 0 0 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
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 6.6 Gpa, Phase II |
|
_database_code_amcsd 0015203 |
|
3.587 3.992 5.307 90 98.40 90 P2_1 |
|
atom x y z Biso |
|
Ag .184 .25 .220 7.4 |
|
Cl .300 .25 .713 3.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 7.6 Gpa, Phase II |
|
_database_code_amcsd 0015204 |
|
3.561 3.994 5.271 90 99.12 90 P2_1 |
|
atom x y z Biso |
|
Ag .177 .25 .224 6.7 |
|
Cl .298 .25 .711 2.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 7.9 Gpa, Phase II |
|
_database_code_amcsd 0015205 |
|
3.548 3.997 5.259 90 99.75 90 P2_1 |
|
atom x y z Biso |
|
Ag .165 .25 .215 5.8 |
|
Cl .307 .25 .700 3.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 8.6 Gpa, Phase II |
|
_database_code_amcsd 0015206 |
|
3.530 4.011 5.243 90 100.69 90 P2_1 |
|
atom x y z Biso |
|
Ag .157 .25 .210 5.8 |
|
Cl .308 .25 .705 3.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 10.0 Gpa, Phase II |
|
_database_code_amcsd 0015207 |
|
3.497 4.009 5.214 90 102.11 90 P2_1 |
|
atom x y z Biso |
|
Ag .148 .25 .206 4.7 |
|
Cl .314 .25 .702 3.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 10.8 GPa, Phase II |
|
_database_code_amcsd 0015208 |
|
3.481 4.016 5.191 90 102.87 90 P2_1 |
|
atom x y z Biso |
|
Ag .138 .25 .210 4.8 |
|
Cl .322 .25 .696 2.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 10.8 Gpa, Phase III |
|
_database_code_amcsd 0015209 |
|
3.399 10.124 4.032 90 90 90 Cmcm |
|
atom x y z Biso |
|
Ag 0 .404 .25 5.1 |
|
Cl 0 .141 .25 2.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 12.7 GPa, Phase III |
|
_database_code_amcsd 0015210 |
|
3.369 10.023 4.053 90 90 90 Cmcm |
|
atom x y z Biso |
|
Ag 0 .397 .25 3.9 |
|
Cl 0 .138 .25 2.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 14.2 GPa, Phase III |
|
_database_code_amcsd 0015211 |
|
3.337 9.907 4.095 90 90 90 Cmcm |
|
atom x y z Biso |
|
Ag 0 .398 .25 3.9 |
|
Cl 0 .140 .25 2.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgCl |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 16.1 Gpa, Phase III |
|
_database_code_amcsd 0015212 |
|
3.320 9.835 4.108 90 90 90 Cmcm |
|
atom x y z Biso |
|
Ag 0 .398 .25 3.8 |
|
Cl 0 .141 .25 2.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bromargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 0.0 GPa, Phase I |
|
_database_code_amcsd 0015213 |
|
5.7721 5.7721 5.7721 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 6.3 |
|
Br 0 0 0 3.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bromargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 1.5 GPa, Phase I |
|
_database_code_amcsd 0015214 |
|
5.7103 5.7103 5.7103 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 6.5 |
|
Br 0 0 0 3.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bromargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 3.9 GPa, Phase I |
|
_database_code_amcsd 0015215 |
|
5.6344 5.6344 5.6344 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 6.5 |
|
Br 0 0 0 3.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bromargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 6.2 GPa, Phase I |
|
_database_code_amcsd 0015216 |
|
5.5673 5.5673 5.5673 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 6.0 |
|
Br 0 0 0 2.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bromargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 7.9 GPa, Phase I |
|
_database_code_amcsd 0015217 |
|
5.5203 5.5203 5.5203 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 7.9 |
|
Br 0 0 0 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
|
| |
|
AgBr |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 7.9 GPa, Phase II |
|
_database_code_amcsd 0015218 |
|
3.821 3.980 5.513 90 95.9 90 P2_1 |
|
atom x y z Biso |
|
Ag .18 .25 .21 5.5 |
|
Br .28 .25 .69 3.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgBr |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 8.1 GPa, Phase II |
|
_database_code_amcsd 0015219 |
|
3.818 3.981 5.510 90 96.07 90 P2_1 |
|
atom x y z Biso |
|
Ag .182 .25 .215 4.9 |
|
Br .284 .25 .686 2.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgBr |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 9.0 GPa, Phase II |
|
_database_code_amcsd 0015220 |
|
3.791 3.984 5.496 90 97.05 90 P2_1 |
|
atom x y z Biso |
|
Ag .161 .25 .216 4.5 |
|
Br .291 .25 .689 2.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgBr |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 9.3 GPa, Phase II |
|
_database_code_amcsd 0015221 |
|
3.787 3.985 5.487 90 97.94 90 P2_1 |
|
atom x y z Biso |
|
Ag .152 .25 .227 5.5 |
|
Br .298 .25 .706 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgBr |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 10.2 GPa, Phase II |
|
_database_code_amcsd 0015222 |
|
3.749 4.007 5.464 90 98.56 90 P2_1 |
|
atom x y z Biso |
|
Ag .133 .25 .223 5.7 |
|
Br .302 .25 .696 2.7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgBr |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 12.7 GPa, Phase II |
|
_database_code_amcsd 0015223 |
|
3.691 4.018 5.450 90 100.87 90 P2_1 |
|
atom x y z Biso |
|
Ag .129 .25 .229 6.5 |
|
Br .305 .25 .680 3.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Miersite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Locality: synthetic |
|
Sample: P = 0.0 GPa, Phase II' |
|
_database_code_amcsd 0015224 |
|
6.4991 6.4991 6.4991 90 90 90 F-43m |
|
atom x y z Biso |
|
Ag .25 .25 .25 6.5 |
|
I 0 0 0 5.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Iodargyrite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 0.0 GPa, Phase II |
|
_database_code_amcsd 0015225 |
|
4.599 4.599 7.524 90 90 120 P6_3mc |
|
atom x y z Biso |
|
Ag 0 0 0 8.9 |
|
I 0 0 .335 5.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Miersite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 1.5 GPa, Phase III |
|
_database_code_amcsd 0015226 |
|
6.0339 6.0339 6.0339 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 8.1 |
|
I 0 0 0 5.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Miersite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 3.4 GPa, Phase III |
|
_database_code_amcsd 0015227 |
|
5.9577 5.9577 5.9577 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 7.1 |
|
I 0 0 0 5.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Miersite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 6.4 GPa, Phase III |
|
_database_code_amcsd 0015228 |
|
5.8570 5.8570 5.8570 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 7.0 |
|
I 0 0 0 5.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Miersite |
|
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 8.9 GPa, Phase III |
|
_database_code_amcsd 0015229 |
|
5.7894 5.7894 5.7894 90 90 90 Fm3m |
|
atom x y z Biso |
|
Ag .5 .5 .5 6.7 |
|
I 0 0 0 4.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Miersite |
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Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
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Pressure-induced phase transitions in AgCl, AgBr, and AgI |
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Sample: P = 11.1 GPa, Phase III |
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_database_code_amcsd 0015230 |
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5.7320 5.7320 5.7320 90 90 90 Fm3m |
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atom x y z Biso |
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Ag .5 .5 .5 6.4 |
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I 0 0 0 5.0 |
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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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AgI |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 11.3 GPa, Phase V |
|
_database_code_amcsd 0015231 |
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4.056 4.057 5.615 90 98.43 90 P2_1 |
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atom x y z Biso |
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Ag .157 .25 .219 4.2 |
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I .300 .25 .707 3.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgI |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 11.7 GPa, Phase V |
|
_database_code_amcsd 0015232 |
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4.052 4.052 5.604 90 98.70 90 P2_1 |
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atom x y z Biso |
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Ag .157 .25 .217 3.9 |
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I .300 .25 .704 2.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgI |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 14.3 GPa, Phase V |
|
_database_code_amcsd 0015233 |
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4.007 4.064 5.546 90 100.39 90 P2_1 |
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atom x y z Biso |
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Ag .150 .25 .228 3.5 |
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I .307 .25 .697 2.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AgI |
| |
Hull S, Keen D A |
| |
Physical Review B 59 (1999) 750-761 |
|
Pressure-induced phase transitions in AgCl, AgBr, and AgI |
|
Sample: P = 14.5 GPa, Phase V |
|
_database_code_amcsd 0015234 |
|
4.001 4.067 5.545 90 100.55 90 P2_1 |
|
atom x y z Biso |
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Ag .150 .25 .230 3.5 |
|
I .308 .25 .695 2.7 |
|
|
| 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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