American Mineralogist Crystal Structure Database

1 matching records for this search.

Kafehydrocyanite
 
Taylor J C, Mueller M H, Hitterman R L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7673&volume=26&spage=559
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
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