|
CaPtO3 |
| |
Ohgushi K, Matsushita Y, Miyajima N, Katsuya Y,Tanaka M, Izumi F, Gotou H, Ueda Y, Yagi T |
| |
Physics and Chemistry of Minerals 35 (2008) 189-195 |
|
CaPtO3 as a novel post-perovskite oxide |
|
_database_code_amcsd 0009131 |
|
3.12607 9.91983 7.35059 90 90 90 Cmcm |
|
atom x y z |
|
Ca 0 .2500 .25 |
|
Pt 0 0 0 |
|
O1 .5 .4253 .25 |
|
O2 .5 .1230 .0451 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
LiV2O4 |
| |
Matsushita Y, Yamaura J I, Ueda Y |
 |
Acta Crystallographica E61 (2005) i137-i139 |
|
Lithium divanadate spinel, LiV2O4 |
|
Locality: synthetic |
|
_database_code_amcsd 0010451 |
|
8.2437 8.2437 8.2437 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V .5 .5 .5 .00625 .00630 .0063 .0063 -.00024 -.0002 -.0002 |
|
O .26147 .26147 .26147 .00663 .0066 .0066 .0066 .0003 -.0003 -.0003 |
|
Li .125 .125 .125 .00740 .0074 .0074 .0074 0 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
|
| |
|
Hutchinsonite |
 |
Matsushita Y, Takeuchi Y |
 |
Zeitschrift fur Kristallographie 209 (1994) 475-478 |
|
Refinement of the crystal structure of hutchinsonite, TlPbAs5S9 |
|
_database_code_amcsd 0011062 |
|
10.786 35.3890 8.141 90 90 90 Pbca |
|
atom x y z occ Biso |
|
PbM1 .36090 .24688 .10582 1.04 |
|
TlM2 .33847 .12202 .63384 1.82 |
|
As1 .1110 .19488 .7045 .74 |
|
As2 .1021 .18479 .1262 .9449 .66 |
|
Sb2 .1021 .18479 .1262 .0551 .66 |
|
As3 .4347 .11605 .1331 .8368 .75 |
|
Sb3 .4347 .11605 .1331 .1632 .75 |
|
As4 .1367 .04815 .2161 .96 |
|
As5 .3823 .02875 .9544 .79 |
|
S1 .3975 .1893 .3648 .9 |
|
S2 .4119 .1906 .8637 1.0 |
|
S3 .1150 .25409 .3696 .8 |
|
S4 .1303 .1374 .3237 1.0 |
|
S5 .1156 .14665 .8960 1.0 |
|
S6 .3876 .0150 .6853 1.5 |
|
S7 .1949 .0570 .9529 1.8 |
|
S8 .4372 .0670 .3267 1.1 |
|
S9 .0076 .0796 .5851 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jamesonite |
|
Matsushita Y, Ueda Y |
| |
Inorganic Chemistry 42 (2003) 7830-7838 |
|
Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a |
|
_cod_database_code 1101076 |
|
_database_code_amcsd 0018283 |
|
15.750 19.125 4.030 90 91.68 90 P2_1/a |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 -.07429 .26108 .0556 .0211 .023 .0210 .0198 .0003 .0023 -.0006 |
|
Pb2 -.31702 .35932 .0341 .0233 .015 .0353 .0200 .0037 .0015 -.0014 |
|
Sb1 .1312 .34110 -.3872 .0201 .006 .0223 .0319 -.0053 -.0066 .0088 |
|
Sb2 -.10379 .45257 -.3874 .0153 .001 .0190 .0259 .0011 .0030 -.0005 |
|
Sb3 -.17991 .06342 .4116 .0167 .007 .0172 .0263 .0037 .0085 .0018 |
|
Fe 0 0 0 .017 .006 .016 .028 .007 .008 .0033 |
|
S1 -.2157 .4968 .0268 .015 .003 .022 .022 .003 .006 -.003 |
|
S2 -.0796 .1056 -.0108 .018 .016 .011 .027 .000 .010 .0022 |
|
S3 .0959 .0436 -.4770 .014 .010 .013 .020 .001 .003 .0025 |
|
S4 .0516 .2307 -.4319 .019 .025 .015 .017 -.002 .001 .0002 |
|
S5 -.1833 .3414 -.4505 .016 .015 .017 .016 -.001 -.003 -.0017 |
|
S6 .0024 .3981 .0466 .017 .007 .021 .021 -.003 -.005 .001 |
|
S7 -.2747 .2038 .0747 .019 .003 .022 .032 .003 .005 -.001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
