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ICSD for WWW : Details

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=75320 Help
TitleThe low-temperature structure of Nb Te4.
AuthorsKusz, J.;Boehm, H.
ReferenceActa Crystallographica B (1994) 50, 649-655
Link XRef SCOPUS SCIRUS Google
Also: Phase Transition (1992) 38, 127-220
Link XRef SCOPUS SCIRUS Google
CompoundNb1 Te4 - Niobium telluride (1/4) - LT [AX4] [tP120] [d24 c6 b6 a6] []
Cell12.967(2), 12.967(2), 20.465(2), 90., 90., 90.
P4 (75) V=3441.05
RemarksR=0.060000 : TEM =100 : PDF =82-1250 :
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.
Stable from 50 to 200 K (2nd ref., Tomaszewski)

Atom (site) Oxid. x, y, z, B, Occupancy
Nb1(1a)4
Nb2(1a)4
Nb3(1a)4
Nb4(1a)4
Nb5(1a)4
Nb6(1a)4
Nb7(1b)4
Nb8(1b)4
Nb9(1b)4
Nb10(1b)4
Nb11(1b)4
Nb12(1b)4
Nb13(2c)4
Nb14(2c)4
Nb15(2c)4
Nb16(2c)4
Nb17(2c)4
Nb18(2c)4
Te1(4d)-1
Te2(4d)-1
Te3(4d)-1
Te4(4d)-1
Te5(4d)-1
Te6(4d)-1
Te7(4d)-1
Te8(4d)-1
Te9(4d)-1
Te10(4d)-1
Te11(4d)-1
Te12(4d)-1
Te13(4d)-1
Te14(4d)-1
Te15(4d)-1
Te16(4d)-1
Te17(4d)-1
Te18(4d)-1
Te19(4d)-1
Te20(4d)-1
Te21(4d)-1
Te22(4d)-1
Te23(4d)-1
Te24(4d)-1
000.0915(5)01
000.2409(5)01
000.3978(5)01
000.5925(5)01
000.7513(5)01
000.9022(5)01
0.50.50.0693(5)01
0.50.50.2458(5)01
0.50.50.4091(5)01
0.50.50.5700(6)01
0.50.50.7561(5)01
0.50.50.9110(6)01
0.500.0758(3)01
0.500.2364(2)01
0.500.4288(3)01
0.500.5844(4)01
0.500.7339(3)01
0.500.9241(3)01
0.0631(3)0.1560(3)0.0000(2)01
0.1693(3)0.0734(3)0.1691(2)01
0.0802(3)0.1635(3)0.3290(2)01
0.1557(3)0.0626(3)0.4996(2)01
0.0749(3)0.1691(3)0.6683(2)01
0.1633(3)0.0760(3)0.8294(2)01
0.5684(3)0.6670(3)-.0033(3)01
0.6615(3)0.5705(3)0.1643(3)01
0.5791(3)0.6670(4)0.3319(3)01
0.6663(3)0.5683(3)0.4974(3)01
0.5716(3)0.6619(3)0.6647(3)01
0.6666(3)0.5818(3)0.8321(3)01
0.5798(3)0.1668(4)-.0005(2)01
0.3349(4)0.0751(4)-.0002(2)01
0.6668(3)0.0754(3)0.1622(2)01
0.4271(3)0.1668(4)0.1629(2)01
0.5621(3)0.1605(3)0.3116(2)01
0.3414(3)0.0629(3)0.3305(2)01
0.6663(4)0.0765(4)0.501
0.4203(3)0.1653(4)0.4999(2)01
0.5730(3)0.1682(3)0.6626(2)01
0.3346(3)0.0747(3)0.6621(3)01
0.6589(3)0.0610(3)0.8300(2)01
0.4358(3)0.1603(4)0.8317(2)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Nb1(1a)4
Nb2(1a)4
Nb3(1a)4
Nb4(1a)4
Nb5(1a)4
Nb6(1a)4
Nb7(1b)4
Nb8(1b)4
Nb9(1b)4
Nb10(1b)4
Nb11(1b)4
Nb12(1b)4
Nb13(2c)4
Nb14(2c)4
Nb15(2c)4
Nb16(2c)4
Nb17(2c)4
Nb18(2c)4
Te1(4d)-1
Te2(4d)-1
Te3(4d)-1
Te4(4d)-1
Te5(4d)-1
Te6(4d)-1
Te7(4d)-1
Te8(4d)-1
Te9(4d)-1
Te10(4d)-1
Te11(4d)-1
Te12(4d)-1
Te13(4d)-1
Te14(4d)-1
Te15(4d)-1
Te16(4d)-1
Te17(4d)-1
Te18(4d)-1
Te19(4d)-1
Te20(4d)-1
Te21(4d)-1
Te22(4d)-1
Te23(4d)-1
Te24(4d)-1
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)0.0(16)00
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0021(1)0.0021(1)0.0052(1)000
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)
0.0059(1)0.0024(1)0.0048(1)0.0016(1)0.0000(2)0.0000(2)

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