Ta3(Te2)6, Mr = 2074. 04, tetragonal, P4/ncc, a = 9. 204(1) A , c=20,401(8) A, V=1728. 3 A 3, Z = 4, Dc = 7. 97g/cm3, λ(MoKa) = 0. 71073 A . μ= 386, 3cm-1,F(000) = 3372, T= 296K , R= 0. 027, Rw = 0, 029 for 493 obse...Ta3(Te2)6, Mr = 2074. 04, tetragonal, P4/ncc, a = 9. 204(1) A , c=20,401(8) A, V=1728. 3 A 3, Z = 4, Dc = 7. 97g/cm3, λ(MoKa) = 0. 71073 A . μ= 386, 3cm-1,F(000) = 3372, T= 296K , R= 0. 027, Rw = 0, 029 for 493 observed unique reflections. The structure is composed of infinite [TaTe4] chains along the e axis. In these chains, the Ta sequences distort in such a way that linear Ta, clusters are formed.展开更多
Nb3(Se2)6I,Mr = 1353. 1, tetragonal, space group D64h-P4/mnc, a= 9. 45(1), b = 9. 45(1) , c=19. 08(3)(?), V = 1705. 6(9)(?)3, and Z = 4, Dc=5. 27g/cm3. Final R = 0. 045 and Rw = 0. 053 for 881 independent reflections ...Nb3(Se2)6I,Mr = 1353. 1, tetragonal, space group D64h-P4/mnc, a= 9. 45(1), b = 9. 45(1) , c=19. 08(3)(?), V = 1705. 6(9)(?)3, and Z = 4, Dc=5. 27g/cm3. Final R = 0. 045 and Rw = 0. 053 for 881 independent reflections with I> 3σ(I). In the structure of Nb3(Se2)6I, the Nb(Se2)4 units are almost regular rectangular antiprism, which are packed in chain forms along c axis with the I (0) atoms between these chains.展开更多
The title compound was prepared from the corresponding elements(Sm, Te) using iodine as transport agent. The crystal structure was determined by the single crystal X-ray diffraction techniques with the crystal data as...The title compound was prepared from the corresponding elements(Sm, Te) using iodine as transport agent. The crystal structure was determined by the single crystal X-ray diffraction techniques with the crystal data as follows: SmTe3,M_r= 533. 15, orthorhombic. Cmcm, a=4. 323(2), b= 25. 613(3),c=4. 335(2) A,V=480. 0 A￣3, Z=4, D_x=7. 38 g/cm￣3, F(000) =872,μ= 300. 2 cm￣(-1), R=0. 061,Rw.=0. 066 for 660 observed(I≥3σ(I)) unique reflections. The compound is isostructural with NdTe_3￣[1].展开更多
The synthesis method and crystal structure of a novel Mo 3 cluster compound are reported. The results of structural analysis and the quantum calculation for the entire cluster molecule reveal that though two Mo 3 clus...The synthesis method and crystal structure of a novel Mo 3 cluster compound are reported. The results of structural analysis and the quantum calculation for the entire cluster molecule reveal that though two Mo 3 cluster units, which belong to two different kinds of structural type respectively, show an apparent ionic characteristic, the interaction between them via the bridging S atoms is still quite certain. The relationship between cluster electron counting and stability of the Mo 3 clusters are also primarily discussed.展开更多
文摘Ta3(Te2)6, Mr = 2074. 04, tetragonal, P4/ncc, a = 9. 204(1) A , c=20,401(8) A, V=1728. 3 A 3, Z = 4, Dc = 7. 97g/cm3, λ(MoKa) = 0. 71073 A . μ= 386, 3cm-1,F(000) = 3372, T= 296K , R= 0. 027, Rw = 0, 029 for 493 observed unique reflections. The structure is composed of infinite [TaTe4] chains along the e axis. In these chains, the Ta sequences distort in such a way that linear Ta, clusters are formed.
基金Project supported by the National Natural Science Foundation of China
文摘Nb3(Se2)6I,Mr = 1353. 1, tetragonal, space group D64h-P4/mnc, a= 9. 45(1), b = 9. 45(1) , c=19. 08(3)(?), V = 1705. 6(9)(?)3, and Z = 4, Dc=5. 27g/cm3. Final R = 0. 045 and Rw = 0. 053 for 881 independent reflections with I> 3σ(I). In the structure of Nb3(Se2)6I, the Nb(Se2)4 units are almost regular rectangular antiprism, which are packed in chain forms along c axis with the I (0) atoms between these chains.
文摘The title compound was prepared from the corresponding elements(Sm, Te) using iodine as transport agent. The crystal structure was determined by the single crystal X-ray diffraction techniques with the crystal data as follows: SmTe3,M_r= 533. 15, orthorhombic. Cmcm, a=4. 323(2), b= 25. 613(3),c=4. 335(2) A,V=480. 0 A￣3, Z=4, D_x=7. 38 g/cm￣3, F(000) =872,μ= 300. 2 cm￣(-1), R=0. 061,Rw.=0. 066 for 660 observed(I≥3σ(I)) unique reflections. The compound is isostructural with NdTe_3￣[1].
文摘The synthesis method and crystal structure of a novel Mo 3 cluster compound are reported. The results of structural analysis and the quantum calculation for the entire cluster molecule reveal that though two Mo 3 cluster units, which belong to two different kinds of structural type respectively, show an apparent ionic characteristic, the interaction between them via the bridging S atoms is still quite certain. The relationship between cluster electron counting and stability of the Mo 3 clusters are also primarily discussed.
