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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=74284 Help
TitleCesstibtantite - a geologic introduction to the inverse pyrochlores.
AuthorsErcit, T.S.;Cerny, P.;Hawthorne, F.C.
ReferenceMineralogy and Petrology (1993) 48, 235-255
Link XRef SCOPUS SCIRUS Google
CompoundH0.385 Bi0.02 Ca0.06 Cs0.22 F0.385 K0.01 Na0.45 Nb0.05 O6.165 Pb0.14 Sb0.39 Ta1.95 - [Cesstibtantite] Caesium potassium sodium antimony lead calcium bismuth tantalum niobium oxide hydroxide fluoride * [AB4C8XY25] [cF82] [g f c b] []
Cell10.496(1), 10.496(1), 10.496(1), 90., 90., 90.
FD3-MZ (227) V=1156.3
RemarksR=0.039000 : DEF MIN =Cesstibtantite : PDF =35-672 :
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.
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Na1(96g)1
Sb1(96g)3
Pb1(96g)2
Ca1(96g)2
Bi1(96g)3
Ta1(16c)5
Nb1(16c)5
O1(48f)-2
O2(48f)-2
F1(48f)-1
Cs1(8b)1
K1(8b)1
O3(8b)-2
F2(8b)-1
H1(192i)1
0.513(2)0.513(2)0.471(2)0.0150.0375
0.513(2)0.513(2)0.471(2)0.0150.0325
0.513(2)0.513(2)0.471(2)0.0150.0117
0.513(2)0.513(2)0.471(2)0.0150.005
0.513(2)0.513(2)0.471(2)0.0150.0017
00000.975
00000.025
0.311(1)0.1250.12500.9633
0.311(1)0.1250.12500.0183
0.311(1)0.1250.12500.0183
0.3750.3750.3750.0370(37)0.22
0.3750.3750.3750.0370(37)0.01
0.3750.3750.3750.0370(37)0.275
0.3750.3750.3750.0370(37)0.275
00.016
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Na1(96g)1
Sb1(96g)3
Pb1(96g)2
Ca1(96g)2
Bi1(96g)3
Ta1(16c)5
Nb1(16c)5
O1(48f)-2
O2(48f)-2
F1(48f)-1
Cs1(8b)1
K1(8b)1
O3(8b)-2
F2(8b)-1
H1(192i)1
000000
000000
000000
000000
000000
0.0098(4)0.0098(4)0.0098(4)-.0026(3)-.0026(3)-.0026(3)
0.0098(4)0.0098(4)0.0098(4)-.0026(3)-.0026(3)-.0026(3)
0.0162(74)0.0255(48)0.0255(48)000.0081(66)
0.0162(74)0.0255(48)0.0255(48)000.0081(66)
0.0162(74)0.0255(48)0.0255(48)000.0081(66)
000000
000000
000000
000000
000000

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