Monoclinic structures of niobium trisulfide | Zendy

Matthew A. Bloodgood | Zendy; Pingrong Wei | Zendy; Ece Aytan | Zendy; Krassimir N. Bozhilov | Zendy; Alexander A. Balandin | Zendy; Tina T. Salguero | Zendy

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Monoclinic structures of niobium trisulfide

Author(s) -

Matthew A. Bloodgood,

Pingrong Wei,

Ece Aytan,

Krassimir N. Bozhilov,

Alexander A. Balandin,

Tina T. Salguero

Publication year - 2017

Publication title -

apl materials

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.571

H-Index - 60

ISSN - 2166-532X

DOI - 10.1063/1.5005813

Subject(s) - monoclinic crystal system , crystallography , triclinic crystal system , materials science , niobium , crystal structure , high resolution transmission electron microscopy , stacking , transmission electron microscopy , chemistry , nanotechnology , metallurgy , organic chemistry

Two new polymorphs of niobium trisulfide are established by single crystal x-ray diffraction. NbS3-iv crystallizes in the monoclinic space group P21/c with lattice parameters a = 6.7515(5) A, b = 4.9736(4) A, c = 18.1315(13) A, and β = 90.116(2)°. Its structure is based on chains of [NbS6] trigonal prisms containing Nb–Nb pairs with a bond length of 3.0448(8) A; this pairing causes the chains to corrugate slightly along their axis, a feature also present in triclinic NbS3-i that leads to semiconductor properties. The stacking arrangement of chains is different in these polymorphs, however, with NbS3-i having an ABCDE repeating sequence of chain bilayers and NbS3-iv having an AB repeating sequence. HRTEM studies show the presence of topotactically-oriented intergrown zones and numerous dislocations, which result in mosaic structuring. A second new polymorph, NbS3-v, crystallizes in the monoclinic space group P21/m with lattice parameters a = 4.950(5) A, b = 3.358(4) A, c = 9.079(10) A, β = 97.35(2)°. In co...

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