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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=33739 Help
TitleThe crystal structure of lintisite, Na3 Li Ti2 (Si2 O6)2 O2 * 2H2O, a new titanosilicate from Lovozero (USSR).
AuthorsMerlino, S.;Pasero, M.;Khomyakov, A.P.
ReferenceZeitschrift fuer Kristallographie (1990) 193, 137-148
Link XRef SCOPUS SCIRUS Google
CompoundH4 Li1 Na3 O16 Si4 Ti2 - [Lintisite] Trisodium lithium dititanium tetrakis(catena-silicate) dioxide dihydrate [AB2C3D4X16] [mS120] [f12 e2] []
Cell28.5830(40), 8.600(1), 5.219(1), 90., 91.03(2), 90.
C12/C1 (15) V=1282.69
RemarksR=0.033000 : MIN =Lintisite : PDF =45-1336 :
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.
Calculated density unusual but tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(8f)4
Na1(8f)1
Na2(4e)1
Li1(4e)1
Si1(8f)4
Si2(8f)4
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
H1(8f)1
H2(8f)1
0.16503(3)0.4050(1)0.6243(2)01
0.1651(7)0.1872(2)0.1161(4)01
00.3483(3)0.7501
00.0111(14)0.2501
0.26370(4)0.4076(1)0.2903(2)01
0.09250(4)0.0986(1)0.5396(2)01
0.21562(10)0.0124(3)0.4464(6)01
0.21392(10)0.2613(3)0.7423(6)01
0.1250(1)0.2511(3)0.4917(6)01
0.03770(9)0.1261(3)0.5189(6)01
0.13637(9)0.4304(3)0.9273(6)01
0.11023(9)0.0265(3)0.8184(6)01
0.20683(9)0.4164(3)0.2883(5)01
0.04486(14)0.3969(6)0.1178(8)01
0.0449(20)0.334(7)0.201(12)0.045(26)1
0.0736(19)0.415(7)0.101(13)0.066(24)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ti1(8f)4
Na1(8f)1
Na2(4e)1
Li1(4e)1
Si1(8f)4
Si2(8f)4
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
O8(8f)-2
H1(8f)1
H2(8f)1
0.0048(3)0.0048(3)0.0056(3)0.0000(3)-.0004(3)0.0017(4)
0.0184(9)0.0129(8)0.0154(10)0.0017(8)0.0050(8)-.0004(10)
0.0253(15)0.0278(15)0.0200(16)0-.0040(13)0
0.0120(51)0.0160(52)0.0208(66)00.0051(51)0
0.0055(5)0.0064(5)0.0057(6)0.0008(5)0.0003(5)0.0003(5)
0.0078(5)0.0072(6)0.0059(6)-.0001(5)0.0000(5)0.0005(6)
0.0075(12)0.0088(12)0.0074(14)0.0007(14)0.0008(12)-.0009(14)
0.0095(14)0.0064(13)0.0106(17)0.0034(12)0.0007(13)-.0002(13)
0.0089(14)0.0096(14)0.0089(16)-.0004(12)-.0006(13)-.0009(13)
0.0087(14)0.0019(15)0.0118(16)0.0013(12)-.0017(13)0.0005(14)
0.0067(13)0.0066(14)0.0092(15)-.0012(11)0.0018(12)-.0031(13)
0.0091(14)0.0104(15)0.0082(16)0.0002(12)0.0014(13)0.0026(13)
0.0081(14)0.0086(13)0.0042(14)-.0003(13)0.0022(11)0.0000(13)
0.0185(20)0.0380(25)0.0238(23)0.0006(20)-.0028(17)0.0043(24)
000000
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