Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 84

Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 85
ICSD for WWW : Details

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=99961 Help
TitleThe structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X = N H4, K, Rb, Cs.
AuthorsFlemstroem, A.; Hirsch, T.K.; Eriksson, L.; Lidin, S.
ReferenceSolid State Sciences (2004) 6, 509-517
Link XRef SCOPUS SCIRUS Google
CompoundH2 Cl14 Mo6 O1 Rb2 - Dirubidium octa-mue3-chloro-hexakis(chloromolybdate(II)) hydrate [A2B6XY14] [mS100] [a24] []
Cell9.215(1), 14.941(3), 17.532(2), 90, 92.70(1), 90
I1A1 (9) V=2411.15
RemarksR=0.043000 : DEF
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
At least one temperature factor missing in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Mo1(4a)2
Mo2(4a)2
Mo3(4a)2
Mo4(4a)2
Mo5(4a)2
Mo6(4a)2
Cl1(4a)-1
Cl2(4a)-1
Cl3(4a)-1
Cl4(4a)-1
Cl5(4a)-1
Cl6(4a)-1
Cl7(4a)-1
Cl8(4a)-1
Cl9(4a)-1
Cl10(4a)-1
Cl11(4a)-1
Cl12(4a)-1
Cl13(4a)-1
Cl14(4a)-1
Rb1(4a)1
Rb2(4a)1
Rb3(4a)1
O1(4a)-2
H1(4a)1
H2(4a)1
0.25040.1438(4)0.196801
0.7505(3)0.8565(4)0.8026(1)01
0.1659(10)0.1932(4)0.3305(5)01
0.8341(10)0.8069(4)0.6696(5)01
0.0684(11)0.2763(4)0.2072(5)01
-0.0670(11)0.7239(4)0.7929(5)01
0.5089(14)0.1822(7)0.1664(6)0.017(3)1
0.5044(15)0.8268(7)0.8387(7)0.026(3)1
-0.0070(16)0.1240(8)0.2386(8)0.024(3)1
-0.0024(15)0.8826(7)0.7672(7)0.020(3)1
0.3377(15)0.0671(7)0.3120(7)0.023(3)1
0.6509(14)-0.0719(7)0.6794(6)0.017(3)1
0.1519(15)0.2317(7)0.0835(7)0.019(3)1
0.8399(15)0.7783(7)-0.0814(7)0.022(3)1
0.2655(15)0.0063(8)0.1226(8)0.039(3)1
0.7573(13)-0.0021(7)0.8714(7)0.025(3)1
0.0586(12)0.1075(6)0.4330(6)0.025(2)1
-0.0566(12)0.8767(6)0.5592(6)0.021(2)1
0.6721(14)0.1971(6)0.3559(6)0.033(3)1
0.3286(14)0.8193(6)0.6538(6)0.034(3)1
0.2489(15)0.55735(13)-0.0014(8)01
0.5177(15)0.0433(9)-0.0030(7)0.0657(14)0.398
0.499(3)-0.0049(14)0.0003(14)0.0657(14)0.602
0.213(2)0.669(1)0.5000(14)0.040(5)1.
0.2030.7090.45601
0.2440.7080.54101
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Mo1(4a)2
Mo2(4a)2
Mo3(4a)2
Mo4(4a)2
Mo5(4a)2
Mo6(4a)2
Cl1(4a)-1
Cl2(4a)-1
Cl3(4a)-1
Cl4(4a)-1
Cl5(4a)-1
Cl6(4a)-1
Cl7(4a)-1
Cl8(4a)-1
Cl9(4a)-1
Cl10(4a)-1
Cl11(4a)-1
Cl12(4a)-1
Cl13(4a)-1
Cl14(4a)-1
Rb1(4a)1
Rb2(4a)1
Rb3(4a)1
O1(4a)-2
H1(4a)1
H2(4a)1
.024(4).012(3).017(3).000(2).005(3).000(2)
.016(3).016(3).018(3)-.001(2).001(3)-.002(2)
.016(4).016(3).015(3)-.001(2).003(2).003(2)
.014(4).016(3).017(3)-.003(2).003(2).004(2)
.013(4).018(3).020(3)-.001(2)-.001(3).004(2)
.016(4).019(3).015(3).001(2).002(3).004(2)
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
.027(1).037(1).043(1)-.002(5).007(1).003(5)
000000
000000
000000
000000
000000

Current PHP version: 4.3.8 - Current MySQL version: 4.0.21
Demo database
(The Full database will be used, if you are licensed, after the first query is entered)

Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2015 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).