ICSD for WWW

Details of the selected entries


1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=411387 Help
TitleSyntheses and structures of two selenite chloride hydrates: Co (H Se O3) Cl . 3(H2 O) and Cu (H Se O3) Cl . 2(H2 O).
AuthorsHarrison, W.T.A.;Johnston, M.G.
ReferenceZeitschrift fuer Anorganische und Allgem (2000) 626, 248-249
Link XRef SCOPUS Google
CompoundH5 Cl1 Cu1 O5 Se1 - Copper hydrogenselenate(IV) chloride dihydrate [ABXY5] [oP104] [d6 c3 b] []
Cell9.1488(3), 17.8351(7), 7.2293(3), 90., 90., 90.
PNMA (62) V=1179.6
RemarksR=0.021200 : T =298 :

Atom (site) Oxid. x, y, z, B, Occupancy
Cu1(4b)2
Cu2(4c)2
Se1(8d)4
Cl1(8d)-1
O1(8d)-2
O2(8d)-2
O3(8d)-2
O4(8d)-2
O5(4c)-2
O6(4c)-2
H1(8d)1
H2(8*)1
1.00.501
0.860.250.5501
0.800.050.1601
1.020.150.4801
0.950.000.2301
0.71-.010.0501
0.880.09-.0301
0.710.170.6301
0.760.250.2701
0.910.250.9101
0.930.06-.090.021
04.
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cu1(4b)2
Cu2(4c)2
Se1(8d)4
Cl1(8d)-1
O1(8d)-2
O2(8d)-2
O3(8d)-2
O4(8d)-2
O5(4c)-2
O6(4c)-2
H1(8d)1
H2(8*)1
0.010.020.000.00-.00-.00
0.010.010.0200.000
0.010.010.010.00-.00-.00
0.020.020.040.000.000.00
0.010.020.010.00-.00-.00
0.010.020.020.00-.00-.00
0.030.020.020.000.000.00
0.020.020.03-.000.000.00
0.040.060.030-.010
0.040.020.1200.010
000000
000000

Demo database


Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).