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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=30921 Help
TitleCrystal structures and Raman spectra of alpha- and beta-Na S C N (H2 O)2.
AuthorsMereiter, K.;Preisinger, A.
ReferenceZeitschrift fuer Kristallographie (1984) 169, 95-107
Link XRef SCOPUS Google
CompoundC1 H4 N1 Na1 O2 S1 - Sodium thiocyanate dihydrate - beta [] [aP40] [i12] []
Cell6.655(1), 6.737(1), 12.737(2), 66.80(1), 98.24(1), 102.97(1)
P1- (2) V=510.53
RemarksR=0.024000 : T =130 :
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.

Atom (site) Oxid. x, y, z, B, Occupancy
Na1(2i)1
Na2(2i)1
S1(2i)-2
C1(2i)4
N1(2i)-3
S2(2i)-2
C2(2i)4
N2(2i)-3
O1(2i)-2
O2(2i)-2
O3(2i)-2
O4(2i)-2
H1(2i)1
H2(2i)1
H3(2i)1
H4(2i)1
H5(2i)1
H6(2i)1
H7(2i)1
H8(2i)1
0.570.460.6401
0.720.460.9301
0.300.740.6501
0.390.730.7801
0.450.720.8701
0.840.190.6101
01.
1.080.150.8201
0.670.710.4601
0.820.650.7301
0.520.210.8401
0.980.710.9901
0.810.710.450.041
0.660.860.430.041
0.960.660.710.041
0.810.800.700.041
0.370.190.840.041
0.550.070.860.041
0.950.751.050.041
1.010.850.930.041
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Na1(2i)1
Na2(2i)1
S1(2i)-2
C1(2i)4
N1(2i)-3
S2(2i)-2
C2(2i)4
N2(2i)-3
O1(2i)-2
O2(2i)-2
O3(2i)-2
O4(2i)-2
H1(2i)1
H2(2i)1
H3(2i)1
H4(2i)1
H5(2i)1
H6(2i)1
H7(2i)1
H8(2i)1
0.010.010.010.00-.00-.00
0.010.010.010.00-.00-.00
0.010.010.010.00-.00-.00
0.010.010.010.000.00-.00
0.020.020.010.000.00-.00
0.010.020.010.00-.00-.00
0.010.010.010.000.00-.00
0.020.020.010.000.00-.00
0.010.010.010.000.00-.00
0.010.010.010.000.00-.00
0.010.010.020.000.00-.00
0.020.010.010.000.00-.00
000000
000000
000000
000000
000000
000000
000000
000000

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