|
Sinjarite |
 |
Leclaire A, Borel M M |
 |
Acta Crystallographica B33 (1977) 1608-1610 |
|
Le dichlorure de calcium dihydrate |
|
Locality: synthetic |
|
_database_code_amcsd 0009590 |
|
5.893 7.469 12.070 90 90 90 Pbcn |
|
atom x y z |
|
Ca 0 .2157 .25 |
|
Cl -.2725 .4509 .1380 |
|
O .2645 .2107 .1082 |
|
H1 .3990 .2909 .0988 |
|
H2 .2498 .1461 .0360 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K2Mo3AlP8O28 |
| |
Leclaire A, Borel M M, Grandin A, Raveau B |
|
Acta Crystallographica C46 (1990) 1368-1370 |
|
K2Mo3AlP8O28: a tunnel structure isotypic with Na0.5MoP2O7 |
|
_database_code_amcsd 0010163 |
|
4.8171 7.133 7.998 90.53 92.95 105.18 P-1 |
|
atom x y z occ Biso |
|
Mo1 0 0 0 .97 |
|
Mo .5 .5 .5 .5 .65 |
|
Al .5 .5 .5 .5 .65 |
|
K 0 0 .5 3.3 |
|
P1 -.3795 .2417 .1953 .65 |
|
P2 .0161 -.3816 .2532 .65 |
|
O1 -.190 .102 .186 .8 |
|
O2 .094 -.201 .153 1.2 |
|
O3 .368 .192 .071 .9 |
|
O4 .155 .351 .597 1.0 |
|
O5 .278 .550 .305 .9 |
|
O6 .544 .260 .375 1.0 |
|
O7 -.197 .450 .138 .7 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K0.75MoNbP3O12 |
| |
Leclaire A, Borel M M, Grandin A, Raveau B |
|
Acta Crystallographica C46 (1990) 1381-1383 |
|
Non-stoichiometry in the KMo2P3O12-tunnel structure: |
|
the oxide K0.75MoNbP3O12 |
|
_database_code_amcsd 0010168 |
|
8.8518 9.1453 12.5174 90 90 90 Pbcm |
|
atom x y z occ Biso |
|
Mo .24695 .02586 .10063 .5 .68 |
|
Nb .24695 .02586 .10063 .5 .68 |
|
K -.17042 .15917 .25 .75 5.15 |
|
P1 -.02884 .25000 0 .69 |
|
P2 .40255 .36752 .13221 .74 |
|
O1 .20537 .01597 .25000 1.21 |
|
O2 .12745 -.15602 .07173 1.62 |
|
O3 .30155 .04000 -.06273 1.45 |
|
O4 .37812 .20556 .12177 1.55 |
|
O5 .43106 -.10142 .12188 1.65 |
|
O6 .06527 .15356 .07317 1.46 |
|
O7 .35151 .41444 .25 1.04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KMo2P3O13 |
| |
Leclaire A, Borel M M, Grandin A, Raveau B |
|
Acta Crystallographica C46 (1990) 2009-2011 |
|
Structure of a molybdenum(V) phosphate Beta-KMo2P3O13 |
|
_database_code_amcsd 0010199 |
|
9.701 18.848 6.389 90 106.96 90 P2_1/c |
|
atom x y z occ Biso |
|
Mo1 .06417 .16238 .38290 .520 |
|
Mo2 .61627 .37300 .18747 .518 |
|
P1 .2970 .59086 .2686 .64 |
|
P2 .3053 .46506 .0082 .58 |
|
P3 -.0343 .32612 .3404 .59 |
|
K1 .0521 .0034 -.0242 .5 4.50 |
|
K2 .3615 .1648 .0416 .5 4.38 |
|
O1 .2141 .2106 .4483 1.21 |
|
O2 .0605 .1522 .0685 .93 |
|
O3 .0528 .1512 .6864 1.04 |
|
O4 .5127 .0632 .4154 .83 |
|
O5 -.0708 .2474 .3228 .95 |
|
O6 -.1395 .1066 .2804 1.12 |
|
O7 .5773 .2874 .1931 1.58 |
|
O8 .6249 .3715 -.1270 .88 |
|
O9 .6171 .4000 .4936 .89 |
|
O10 .8296 .3706 .2885 1.11 |
|
O11 .4079 .4036 .0837 .96 |
|
O12 .6573 .4856 .1502 .87 |
|
O13 .3087 .5073 .2258 .89 |
|
|
| 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.
