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=280631 Help
TitleNovel quaternary lanthanum bismuth sulfides Pb2 Lax Bi8-x S14, Sr2 Lax Bi8-x S14 and Cs2 Lax Bi10-x S16 with complex structures.
AuthorsIordanidis, L.;Kanatzidis, M.G.
ReferenceInorganic Chemistry (2001) 40, 187-188
Link XRef SCOPUS Google
CompoundBi8.82 Cs2 La1.18 S16 - Caesium lanthanum bismuth sulfide (2/1.18/8.82/16) [AB2C9X16] [oP112] [c28] []
Cell34.8930(40), 4.0697(4), 21.508(2), 90., 90., 90.
PNMA (62) V=3054.22
RemarksR=0.122600 : T =296 :
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.

Atom (site) Oxid. x, y, z, B, Occupancy
Bi1(4c)3
Bi2(4c)3
Bi3(4c)3
Bi4(4c)3
Bi5(4c)3
Bi6(4c)3
Bi7(4c)3
Bi8(4c)3
La1(4c)3
Bi9(4c)3
La2(4c)3
Bi10(4c)3
La3(4c)3
Cs1(4c)1
Cs2(4c)1
S1(4c)-2
S2(4c)-2
S3(4c)-2
S4(4c)-2
S5(4c)-2
S6(4c)-2
S7(4c)-2
S8(4c)-2
S9(4c)-2
S10(4c)-2
S11(4c)-2
S12(4c)-2
S13(4c)-2
S14(4c)-2
S15(4c)-2
S16(4c)-2
0.230.250.2501
0.240.25-.0901
0.130.250.3501
0.340.250.0101
0.050.250.5001
0.040.25-.1301
0.040.250.0601
0.130.75-.0400.63
0.130.75-.0400.36
0.240.750.0800.68
0.240.750.0800.31
0.120.750.1700.49
0.120.750.1700.50
-.010.250.6901
0.350.250.2201
0.270.750.2101
0.190.250.1501
0.190.75-.1301
0.170.750.2901
0.200.250.0001
0.290.75-.0301
0.080.250.2501
0.290.250.1001
0.110.250.5701
0.080.750.4101
-.020.250.4301
0.040.750.7801
0.120.25-.1201
0.040.750.1401
0.050.75-.0301
0.110.250.0701
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Bi1(4c)3
Bi2(4c)3
Bi3(4c)3
Bi4(4c)3
Bi5(4c)3
Bi6(4c)3
Bi7(4c)3
Bi8(4c)3
La1(4c)3
Bi9(4c)3
La2(4c)3
Bi10(4c)3
La3(4c)3
Cs1(4c)1
Cs2(4c)1
S1(4c)-2
S2(4c)-2
S3(4c)-2
S4(4c)-2
S5(4c)-2
S6(4c)-2
S7(4c)-2
S8(4c)-2
S9(4c)-2
S10(4c)-2
S11(4c)-2
S12(4c)-2
S13(4c)-2
S14(4c)-2
S15(4c)-2
S16(4c)-2
0.010.010.010-.000
0.010.010.0100.000
0.010.010.0200.000
0.010.010.0200.000
0.010.010.0200.000
0.010.010.0100.000
0.010.010.020-.000
0.040.010.060-.000
0.040.010.060-.000
0.030.010.060-.010
0.030.010.060-.010
0.050.010.030-.000
0.050.010.030-.000
0.020.010.020-.000
0.020.040.030-.000
0.010.000.010-.000
0.010.010.010-.000
0.010.010.010-.000
0.020.010.0300.010
0.010.010.0100.000
0.030.010.030-.020
0.010.020.0100.000
0.010.010.0100.000
0.010.010.0200.000
0.010.020.030-.000
0.010.010.0200.000
0.020.010.010-.000
0.010.010.0100.000
0.020.010.0200.000
0.020.000.020-.000
0.010.010.0200.000

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).