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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=200507 Help
TitleIon exchange of Na for Nd in hydrated zeolite NaX.
AuthorsShepelev, Yu.F.;Smolin, Yu.I.;Butikova, I.K.;Kozlova, N.I.
ReferenceKristallografiya (1979) 24, 469-474
Link XRef SCOPUS SCIRUS Google
CompoundH10.4 Al5 Na1.25 Nd1.25 O29.2 Si7 - [Zeolite X] Sodium neodymium tecto-alumosilicate hydrate * [A11B29C192X467] [cF865] [i2 h g5 f e4 d a] []
Cell24.946, 24.946, 24.946, 90., 90., 90.
FD3-MZ (227) V=15523.97
RemarksR=0.074000 : DEF MIN =Zeolite X : PDF =30-235 :
Deviation of the charge sum from zero tolerable.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
A site occupation is implausible or meaningless but agrees with the paper.
PDF 30-235 (with Ce)
75% Na replaced by Nd/3, but refinement only with Na atoms with occupation factors: .79, 1.82, .80, .56

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(192i)4
Al1(192i)3
O1(96h)-2
O2(96g)-2
O3(96g)-2
O4(96g)-2
Na1(32e)1
Nd1(32e)3
Nd2(32e)3
Na3(32e)1
Nd3(32e)3
Na4(16d)1
Nd4(16d)3
O5(32e)-2
O6(96g)-2
O7(192i)-2
O8(96g)-2
O9(48f)-2
O10(8a)-2
H1(192i)1
-.0544(1)0.03568(1)0.1249(1)00.58
-.0544(1)0.03568(1)0.1249(1)00.42
00.1073(3)-.1073(3)01
-.0035(3)-.0035(3)0.1428(4)01
0.0754(3)0.0754(3)-.0338(4)01
0.0687(4)0.0687(4)0.3195(5)01
0.0658(5)0.0658(5)0.0658(5)3.95(10)0.265
0.0658(5)0.0658(5)0.0658(5)3.95(10)0.115
0.2382(1)0.2382(1)0.2382(1)0.39(7)0.35
0.1706(9)0.1706(9)0.1706(9)9.57(6)0.27
0.1706(9)0.1706(9)0.1706(9)9.57(6)0.12
0.50.50.56.22(7)0.18
0.50.50.56.22(7)0.08
0.093(3)0.093(3)0.093(3)2.30(7)0.20(7)
0.017(5)0.017(5)0.415(8)10.5(4)0.16(4)
0.231(2)0.449(2)0.167(2)2.7(4)0.18(4)
0.307(2)0.307(2)0.235(2)1.4(4)0.20(4)
0.1250.412(5)0.1250.1(6)0.14(6)
0.1250.1250.1255.6(4)0.10(4)
00.866
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Si1(192i)4
Al1(192i)3
O1(96h)-2
O2(96g)-2
O3(96g)-2
O4(96g)-2
Na1(32e)1
Nd1(32e)3
Nd2(32e)3
Na3(32e)1
Nd3(32e)3
Na4(16d)1
Nd4(16d)3
O5(32e)-2
O6(96g)-2
O7(192i)-2
O8(96g)-2
O9(48f)-2
O10(8a)-2
H1(192i)1
0.000240.000160.000270.00004-.000120.00001
0.000240.000160.000270.00004-.000120.00001
0.000560.00070.0007-.00037-.000370.00012
0.000740.000740.000710.00022-.00006-.00006
0.000580.000580.000890.000220.000190.00019
0.000720.000720.001050.000220.000280.00028
000000
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000000
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000000
000000
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000000

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