|
Labuntsovite-Mn |
|
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P |
|
Crystallography Reports 43 (1998) 820-827 |
|
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry |
|
of minerals of the labuntsovite-nenadkevichite family |
|
Sample: I |
|
_database_code_amcsd 0012358 |
|
14.42 13.91 7.8 90 116.9 90 C2/m |
|
atom x y z occ Biso |
|
NaAI .4084 .2640 .0051 .5 4.6 |
|
KAII .4175 0 .7010 .9 5.6 |
|
TiMI1 .25 .25 .5 .8 2.07 |
|
NbMI1 .25 .25 .5 .2 2.07 |
|
TiMI2 0 .2257 .5 .8 1.91 |
|
NbMI2 0 .2257 .5 .2 1.91 |
|
MnMII 0 0 .5 .2 2.1 |
|
Si1 .3213 .1106 .2503 1.19 |
|
Si2 .2074 .1096 .8011 1.16 |
|
O1 .0834 .1220 .6799 1.7 |
|
O2 .2735 .1805 .7365 1.5 |
|
O3 .2648 .1279 .3837 1.6 |
|
O4 .3643 0 .2775 1.7 |
|
O5 .2404 0 .7757 1.7 |
|
O6 .4214 .1782 .3052 1.8 |
|
O7 .2371 .1262 .0262 1.9 |
|
OH .0999 .2252 .3958 1.7 |
|
KAIII .0862 0 .3396 .8 3.3 |
|
WatAIII .0862 0 .3396 .2 3.3 |
|
Ow1 .5 .1445 0 9.5 |
|
Ow2 0 .1239 0 9.6 |
|
H1 .481 .118 .89 1 |
|
H2 .049 .133 .10 5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Labuntsovite-Mn |
|
Golovastikov N I |
|
Soviet Physics Crystallography 18 (1973) 950-955 |
|
Crystal structure of the alkali titanosilicate labuntsovite |
|
Sample: double cell |
|
_database_code_amcsd 0015562 |
|
14.18 15.48 13.7 90 90 117 B2/m |
|
atom x y z occ Biso |
|
Ti1 0 0 0 .5 .935 |
|
Nb1 0 0 0 .5 .935 |
|
Ti2 0 0 .2291 .95 1.065 |
|
Ti2' 0 .5 .2291 .95 1.065 |
|
Ti3 .25 0 .25 .98 1.025 |
|
Ti3' .25 .5 .25 .98 1.025 |
|
Si1 .1806 .1253 .3889 .889 |
|
Si1' .1806 .6253 .3889 .889 |
|
Si2 .2077 .1514 .1105 .787 |
|
Si2' .2077 .6514 .1105 .787 |
|
K1 .0892 .4232 0 1.712 |
|
K2 .0807 .4013 .5 .6525 2.328 |
|
K2' .0807 .9013 .5 .6525 2.328 |
|
Na .0889 .7453 .2355 .684 2.084 |
|
O1 .0979 .4440 .2262 1.584 |
|
O1' .0979 .9440 .2262 1.584 |
|
O2 .0815 .0859 .1188 .874 |
|
O2' .0815 .5859 .1188 .874 |
|
O3 .0819 .0979 .3212 1.179 |
|
O3' .0819 .5979 .3212 1.179 |
|
O4 .2365 .0564 .3739 1.804 |
|
O4' .2365 .5564 .3739 1.804 |
|
O5 .2331 .2623 .1287 1.516 |
|
O5' .2331 .7623 .1287 1.516 |
|
O6 .2271 .3815 .3182 .997 |
|
O6' .2271 .8815 .3182 .997 |
|
O7 .2456 .1418 0 1.1 |
|
O7' .2456 .6418 0 1.1 |
|
O8 .1373 .1144 .5 1.149 |
|
O8' .1373 .6144 .5 1.149 |
|
OH .0892 .9232 0 1.712 |
|
Wat1 .0182 .2546 .1161 .834 2.448 |
|
Wat2 .0231 .2530 .3444 .875 2.572 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Labuntsovite-Mn |
|
Golovastikov N I |
|
Soviet Physics Crystallography 18 (1974) 596-599 |
|
Crystal structure of the alkali titanosilicate labuntsovite |
|
Sample: half-cell |
|
_database_code_amcsd 0015563 |
|
14.18 7.74 13.70 90 90 117. B2/m |
|
atom x y z occ Biso |
|
Na .0889 .4907 .2355 .3425 2.084 |
|
K1 .0892 .8464 0 .5 1.712 |
|
OHK1 .0892 .8464 0 .5 1.712 |
|
K2 .0807 .8025 .5 .6525 2.328 |
|
Ti1 0 0 0 .75 .935 |
|
Ti2 0 0 .2291 .95 1.065 |
|
Ti3 .25 0 .25 .98 1.025 |
|
Si1 .1806 .2506 .3889 .889 |
|
Si2 .2077 .3028 .1105 .787 |
|
O1 .0979 .8879 .2262 1.584 |
|
O2 .0815 .1718 .1188 .874 |
|
O3 .0819 .1957 .3212 1.179 |
|
O4 .2365 .1127 .3739 1.804 |
|
O5 .2331 .5246 .1287 1.516 |
|
O6 .2271 .763 .3182 .997 |
|
O7 .2456 .2836 0 1.1 |
|
O8 .1373 .2287 .5 1.149 |
|
Wat1 .0182 .5092 .1161 .4175 2.448 |
|
Wat2 .0231 .5061 .3444 .4388 2.572 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|