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CeMo 2 B 5 : A New Type of Arrangement of Puckered Boron Hexagonal Rings
Author(s) -
Flipo Sever,
Kohout Miroslav,
Roth Friedrich,
Weigel Tina,
Schnelle Walter,
Bobnar Matej,
Ormeci Alim,
Burkhardt Ulrich,
Hennig Christoph,
Leisegang Tilmann,
Meyer DirkCarl,
LeitheJasper Andreas,
Gumeniuk Roman
Publication year - 2019
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201900411
Subject(s) - crystallography , chemistry , boron , trigonal prismatic molecular geometry , paramagnetism , fermi level , tetrahedron , crystal structure , electron , condensed matter physics , octahedron , physics , organic chemistry , quantum mechanics
RE Mo 2 B 5 ( RE = Ce, Pr, Nd) and CeW 2 B 5 have been synthesized by arc melting with further annealing at 1300 °C. CeMo 2 B 5 crystallizes in a new structure type with space group Pnma, a = 11.0298(2) Å, b = 3.12080(5) Å, c = 9.9594(2) Å, Z = 4. Its structural arrangement reveals puckered [B 6 ]‐hexagonal rings, trigonal‐prismatic‐ and empty pyramidal‐tetrahedral‐slabs. The structure can be related to the derivatives of AlB 2 and CrB prototypes. The boron atoms form a two‐dimensional network of corrugated ribbons, each composed of four edge‐linked [B 6 ] rings infinitely extending along the b ‐axis. CeMo 2 B 5 is a Pauli paramagnet. Electrical transport measurements together with the calculated density of states at the Fermi level of 3.81 states eV –1 f.u. –1 indicate CeMo 2 B 5 to be a typical metallic system. Electronic structure calculations reveal significant hybridization of Ce 4 f 5 d states with Mo 4 d states. The chemical bonding scenario is dominated by chains of [Ce 2 Mo 2 ] clusters with multi‐center bonds. These clusters are connected via metallic Mo–Mo bonds. This metal‐framework, in turn, is stabilized by bonding interactions with the boron ribbons to which it donates electrons.