Ternary rare earth and actinoid transition metal carbides viewed as carbometalates

Journal Article · Thu Feb 15 00:00:00 EST 2007 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2006.11.019· OSTI ID:21015694

Dashjav, Enkhtsetseg ^[1]; Kreiner, Guido ^[1]; Schnelle, Walter ^[1]; Wagner, Frank R ^[1]; Kniep, Ruediger ^[1]; Jeitschko, Wolfgang ^[2]

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1. Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, D-01187 Dresden (Germany)
2. Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster, Wilhelm-Klemm-Strasse 8, D-48149 Muenster (Germany)

Ternary carbides A{sub x}T{sub y}C{sub z} (A=rare earth metals and actinoids; T=transition metals) with monoatomic species C{sup 4-} as structural entities are classified according to the criteria (i) metal to carbon ratio, (ii) coordination number of the transition metal by carbon atoms, and (iii) the dimensionality of the anionic network [T{sub y}C{sub z}]{sup n-}. Two groups are clearly distinguishable, depending on the metal to carbon ratio. Those where this ratio is equal to or smaller than 2 may be viewed as carbometalates, thus extending the sequence of complex anions from fluoro-, oxo-, and nitridometalates to carbometalates. The second group, metal-rich carbides with metal to carbon ratios equal to or larger than 4 is better viewed as typical intermetallics (''interstitial carbides''). The chemical bonding properties have been investigated by analyzing the Crystal Orbital Hamilton Population (COHP). The chemical bonding situation with respect to individual T-C bonds is similar in both classes. The main difference is the larger number of metal-metal bonds in the crystal structures of the metal-rich carbides.

• OSTI ID: 21015694
• Journal Information: Journal of Solid State Chemistry, Vol. 180, Issue 2; Other Information: DOI: 10.1016/j.jssc.2006.11.019; PII: S0022-4596(06)00602-5; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ANIONS
CARBIDES
CHEMICAL BONDS
COORDINATION NUMBER
CRYSTALS
INTERMETALLIC COMPOUNDS
INTERSTITIALS
RARE EARTH COMPOUNDS
TRANSITION ELEMENT COMPOUNDS