|
Kafehydrocyanite |
| |
Taylor J C, Mueller M H, Hitterman R L |
 |
Acta Crystallographica A26 (1970) 559-567 |
|
A neutron diffraction study of ferroelectric KFCT, K4Fe(CN)6*3D2O, above the |
|
Curie temperature |
|
Locality: synthetic |
|
_database_code_amcsd 0009321 |
|
9.415 17.006 9.382 90 90.03 90 A2/a |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K1 .4350 .1431 .5963 .0050 .0034 .0050 -.0019 -.0018 .0001 |
|
K2 .1576 .3574 .6907 .0043 .0049 .0056 .0007 -.0015 -.0021 |
|
Fe .25 .1765 0 .0027 .0016 .0029 0 .0001 0 |
|
C1 .25 .0643 0 .0062 .0023 .0066 0 .0006 0 |
|
C2 .25 .2915 0 .0054 .0012 .0024 0 -.0006 0 |
|
C3 .1806 .1774 .8076 .0039 .0021 .0034 .0003 -.0002 -.0005 |
|
C4 .4419 .1778 .9325 .0033 .0021 .0040 -.0008 .0003 .0002 |
|
N1 .25 -.0053 0 .0084 .0012 .0182 0 .0047 0 |
|
N2 .25 .3598 0 .0067 .0019 .0099 0 .0014 0 |
|
N3 .1390 .1748 .6924 .0060 .0040 .0038 .0002 -.0013 -.0014 |
|
N4 .4394 .3219 .6101 .0044 .0033 .0071 -.0013 .0011 .0006 |
|
O1 .2276 .0242 .5391 .5 .0133 .0016 .0093 -.0007 .0023 .0000 |
|
D1 .2275 -.0272 .5176 .5 .0096 .0030 .0150 .0016 .0041 .0037 |
|
D2 .1702 .0283 .6144 .5 .0393 .0037 .0209 .0012 .0046 -.0010 |
|
O2 .0030 .0000 .7750 .5 |
|
D3 .0780 .0060 .8300 .5 |
|
D4 -.0784 -.0214 .8376 .5 .0554 .0059 .0168 -.0096 -.0055 .0015 |
|
O3 .0190 -.0050 .7500 .5 |
|
D5 .0690 -.0230 .8300 .5 |
|
D6 .0926 .0281 .7042 .5 .0391 .0095 .0524 -.0104 -.0010 .0121 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
