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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=240010 Help
TitleSynthesis, Characterization, Electronic Structure, and Bonding of Heteroatomic Deltrahedral Clusters: Na49 Cd58.5 Sn37.5, A Network Structure Containing the First Empty Icosahedron without a Group 13 Element and the Largest closo-Deltahedron.
AuthorsTodorov, E.;Sevov, S.C.
ReferenceIC&volume=119&fpage=286&details=yes target=icsd_help>Journal of the American Chemical Society (1997) 119, 286-287
Link XRef SCOPUS Google
CompoundCd58.34 Na49 Sn37.69 - Cadmium sodium stannide (58.34/49/37.69) [N113O147P175] [hR145] [i4 h14 f c4 a] []
Cell16.034(1), 16.034, 50.64(1), 90., 90., 120.
R3-MH (166) V=11274.79
RemarksR=0.042300 : E M D
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
Cd1(18h)0
Cd2(18h)0
Sn3(18h)0
Cd4(18h)0
Sn5(18h)0
Cd6(18h)0
Cd7(36i)0
Sn8(18h)0
Cd9(36i)0
Cd10(18h)0
Sn11(18h)0
Sn12(6c)0
Cd13(18h)0
Sn14(36i)0
Na1(6c)0
Na2(18h)0
Na3(18h)0
Na4(18h)0
Na5(18h)0
Na6(36i)0
Na7(6c)0
Na8(6c)0
Na9(3a)0
Na10(18f)0
0.27-.270.9201
0.60-.600.9801
0.22-.220.9701
0.27-.270.7301
0.53-.530.9401
0.56-.560.0401
0.660.140.8901
0.21-.210.8801
0.660.990.8601
0.56-.560.2901
0.21-.210.7801
000.4700.84
0.11-.110.9800.72
0.490.330.1601
000.4001
0.54-.540.1001
0.12-.120.1001
0.21-.210.0401
0.54-.540.8301
0.280.330.9301
000.2001
000.1201
00001
0.370001
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cd1(18h)0
Cd2(18h)0
Sn3(18h)0
Cd4(18h)0
Sn5(18h)0
Cd6(18h)0
Cd7(36i)0
Sn8(18h)0
Cd9(36i)0
Cd10(18h)0
Sn11(18h)0
Sn12(6c)0
Cd13(18h)0
Sn14(36i)0
Na1(6c)0
Na2(18h)0
Na3(18h)0
Na4(18h)0
Na5(18h)0
Na6(36i)0
Na7(6c)0
Na8(6c)0
Na9(3a)0
Na10(18f)0
0.010.010.010.01-0.00.00
0.020.020.010.01-0.00.00
0.020.020.010.01-0.00.00
0.020.020.010.010.00-0.0
0.020.020.010.01-0.00.00
0.020.020.020.010.00-0.0
0.010.010.020.000.00-0.0
0.020.020.010.01-0.00.00
0.010.010.010.000.00-0.0
0.020.020.010.01-0.00.00
0.010.010.010.010.00-0.0
0.040.040.020.0200
0.040.040.020.020.00-0.0
0.010.010.020.000.00-0.0
0.020.020.030.0100
0.020.020.030.000.00-0.0
0.020.020.030.00-0.00.00
0.020.020.020.010.00-0.0
0.020.020.030.000.00-0.0
0.030.030.030.01-0.0-0.0
0.020.020.020.0100
0.020.020.020.0100
0.030.030.050.0100
0.060.030.040.01-0.0-0.0

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