Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

1995

Journal or Book Title

Inorganic Chemistry

Volume

34

Issue

11

First Page

2962

Last Page

2968

DOI

10.1021/ic00115a025

Abstract

Semiempirical electronic structure calculations are utilized to assess the bonding and metal atom arrangement in the recently discovered ternary phosphide ZrNbP, which adopts the Co2Si structure type. These same calculations reveal that ZrMoP should form in the Fe2P structure type due primarily to metal-metal interactions within each system. Related structural alternatives like the Cu2Sb-type and the Ni2In-type are also examined for their stability ranges as a function of valence electron concentration (vec). Synthesis and structural characterization of Hf1.MM00.94P by single-crystal X-ray diffraction are also reported and confirm the prediction of stability of the Fe2P structure type for this vec. Hf1.06Mo0.9494P crystallizes in the space group P62m

Comments

Reprinted (adapted) with permission from Inorg. Chem., 1995, 34 (11), pp 2962–2968. Copyright 1995 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

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