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ICSD for WWW : Details

ICSD for WWW

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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=91664 Help
TitleSynthesis and crystal structures of gallium- and germanium-variantsof the fibrous zeolites with the NAT, EDI and THOstructure types.
AuthorsLee, Y.-J.;Kim, S.-J.;Parise, J.B.
ReferenceMicroporous and Mesoporous Materials (2000) 34, 255-271
Link XRef SCOPUS SCIRUS Google
CompoundH6.64 Ga7.99 Na1.11 O43.32 Rb6.98 Si12.01 - [Zeolite EDI] Rubidium sodium tecto-gallosilicate hydrate * [AB7C10D10X43] [tP78] [e11 d2 b a] []
Cell9.773(1), 9.773(1), 13.141(3), 90., 90., 90.
P4-21C (114) V=1255.12
RemarksR=0.051000 : DEF MIN =Zeolite EDI : SNS
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Ga1(2a)3
Si1(2a)4
Ga2(8e)3
Si2(8e)4
Si3(2b)4
Ga3(2b)3
Si4(8e)4
Ga4(8e)3
O1(8e)-2
O2(8e)-2
O3(8e)-2
O4(8e)-2
O5(8e)-2
Rb1(8e)1
Rb2(8e)1
Rb3(4d)1
Na1(8e)1
O6(4d)-2
O7(8e)-2
H1(8e)1
00000.699(2)
00000.301(2)
0.8904(1)0.1504(1)0.3086(1)00.699(2)
0.8904(1)0.1504(1)0.3086(1)00.301(2)
000.500.900(2)
000.500.100(2)
0.8854(2)0.1567(2)0.8127(1)00.900(2)
0.8854(2)0.1567(2)0.8127(4)00.100(2)
0.0855(5)0.1290(5)0.0742(4)01
0.0702(5)0.1205(5)0.5692(4)01
0.8134(5)0.0600(5)0.7255(4)01
0.8135(5)0.0446(5)0.2122(4)01
0.8120(5)0.3083(5)0.8156(5)01
0.6972(3)0.8053(3)0.4306(1)00.641(6)
0.772(2)0.734(2)0.4315(10)00.093(4)
00.50.7601(10)00.278(7)
0.051(3)0.446(3)0.821(5)00.139(8)
00.50.604(5)0.056(19)0.17(2)
0.880(2)0.624(2)0.4591(19)0.056(8)0.33(2)
00.83(1)
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ga1(2a)3
Si1(2a)4
Ga2(8e)3
Si2(8e)4
Si3(2b)4
Ga3(2b)3
Si4(8e)4
Ga4(8e)3
O1(8e)-2
O2(8e)-2
O3(8e)-2
O4(8e)-2
O5(8e)-2
Rb1(8e)1
Rb2(8e)1
Rb3(4d)1
Na1(8e)1
O6(4d)-2
O7(8e)-2
H1(8e)1
0.012(1)0.012(1)0.001(1)000
0.012(1)0.012(1)0.012(1)000
0.013(1)0.012(1)0.006(1)0.003(1)-.001(1)0.000(1)
0.013(1)0.012(1)0.006(1)0.003(1)-.001(1)0.000(1)
0.016(1)0.016(1)0.005(2)000
0.016(1)0.016(1)0.005(2)000
0.016(1)0.016(1)0.011(1)0.004(1)0.000(1)-.001(1)
0.016(1)0.016(1)0.011(1)0.004(1)0.000(1)-.001(1)
0.038(3)0.027(3)0.009(3)-.005(2)-.001(2)0.003(2)
0.044(3)0.024(3)0.013(3)-.005(2)0.003(2)-.001(2)
0.023(3)0.029(3)0.035(4)0.001(2)-.005(2)0.006(2)
0.022(3)0.026(3)0.032(4)0.001(2)-.010(2)-.003(2)
0.026(3)0.019(2)0.036(3)0.013(2)-.001(3)0.003(3)
0.089(2)0.086(2)0.013(1)-.067(1)0.002(1)0.000(1)
0.089(5)0.086(2)0.013(1)-.067(1)0.002(1)0.000(1)
0.021(3)0.014(3)0.362(17)-.010(2)00
0.021(3)0.014(3)0.362(17)-.010(2)00
000000
000000
000000

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