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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=281610 Help
TitleSingle-crystal structure refinement of Na Ti Si2 O6 clinopyroxene at low temperatures (298 > T > 100 K).
AuthorsRedhammer, G.J.; Ohashi, H.; Roth, G.
ReferenceIC&volume=59&fpage=730&details=yes target=icsd_help>Acta Crystallographica B (2003) 59, 730-746
Link XRef SCOPUS Google
CompoundNa1 O6 Si2 Ti1 - [Clinopyroxene] Sodium titanium(III) disilicate [ABC2X6] [aP20] [i10] []
Cell5.3019(16), 6.5645(19), 6.589(2), 84.83(2), 77.69(2), 77.71(2)
P1- (2) V=218.68
RemarksR=0.027900 : T =190 : M =Clinopyroxene :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Na1(2i)1
Ti1(2i)3
Si1(2i)4
Si2(2i)4
O1(2i)-2
O2(2i)-2
O3(2i)-2
O4(2i)-2
O5(2i)-2
O6(2i)-2
0.750.800.700.001
0.250.590.900.001
0.740.290.610.001
1.240.120.790.001
0.800.390.380.001
0.640.460.800.001
0.510.150.630.001
1.010.140.650.001
1.140.300.960.001
1.30-.110.890.001
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Na1(2i)1
Ti1(2i)3
Si1(2i)4
Si2(2i)4
O1(2i)-2
O2(2i)-2
O3(2i)-2
O4(2i)-2
O5(2i)-2
O6(2i)-2
0.000.000.010.00-.000.00
000000
000000
000000
000000
000000
000000
000000
000000
000000

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