|
Behierite |
 |
Range K J, Wildenauer M, Heyns A M |
| |
Angewandte Chemie 100 (1988) 973-975 |
|
Extrem kurze nichtbindende sauerstoff-sauerstoff-abstande: Die |
|
kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 |
|
Locality: synthetic |
|
Note: data from ICSD |
|
_database_code_amcsd 0011990 |
|
6.2141 6.2141 5.476 90 90 90 *I4_1/amd |
|
0 -.25 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Nb 0 .75 .125 .0014 .0014 .0012 0 0 0 |
|
B 0 .25 .375 .0051 .0051 .0041 0 0 0 |
|
O 0 .0712 .1994 .0060 .0022 .0029 0 0 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NaTa3O8 |
| |
Range K J, Wildenauer M, Heyns A M |
| |
Angewandte Chemie 100 (1988) 973-975 |
|
Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die |
|
kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 |
|
Note: data from ICSD |
|
_database_code_amcsd 0011991 |
|
7.242 10.462 7.001 90 90 90 Ibam |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 0 .25 .0536 .0242 .0385 0 0 0 |
|
Ta1 0 .5 .75 .0027 .0020 .0017 0 0 0 |
|
Ta2 .2385 .2642 0 .0024 .0029 .0029 0 0 .0007 |
|
O1 .9902 .1742 0 .0020 .0072 .0134 0 0 -.0006 |
|
O2 .1183 .4322 0 .0008 .0054 .0064 0 0 -.0014 |
|
O3 .1926 .3570 .2971 .0069 .0056 .0058 .0007 .0011 .0020 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NaNb3O8 |
| |
Range K J, Wildenauer M, Heyns A M |
| |
Angewandte Chemie 100 (1988) 973-975 |
|
Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die |
|
kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 |
|
Note: data from ICSD |
|
_database_code_amcsd 0011992 |
|
7.3244 10.3100 7.0426 90 90 90 Ibam |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na 0 0 .25 .007689 .001976 .006553 0 0 0 |
|
Nb1 0 .5 .75 .001496 .000710 .002117 0 0 0 |
|
Nb2 .25239 .26430 0 .001426 .000934 .002671 .000132 0 0 |
|
O1 .9833 .1670 0 .001678 .001717 .006049 -.000166 0 0 |
|
O2 .1067 .4237 0 .002563 .001717 .002016 .000629 0 0 |
|
O3 .1985 .3611 .2996 .003029 .001364 .003075 .000629 .000097 .000516 |
|
|
| 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.
