Metal-metal-bonded scandium cluster (Sc/sub 7/Cl/sub 12/Z) and infinite chain (Sc/sub 4/Cl/sub 6/Z) phases stabilized by interstitial boron or nitrogen (Z)

Journal Article · Wed Oct 01 00:00:00 EDT 1986 · J. Solid State Chem.; (United States)

DOI:https://doi.org/10.1016/0022-4596(86)90077-0· OSTI ID:7008286

Hwu, S J; Corbett, J D

The title phases have been obtained in high yields from reactions of metal, trichloride, and elemental boron or nitrogen in sealed niobium tubing at 850-950/sup 0/C. Single crystal structural studies on samples of all four phases obtained by autogenous vapor phase transport reactions are reported. The Sc/sub 7/Cl/sub 12/Z compounds contained discrete Sc/sub 6/Cl/sub 12/Z clusters together with isolated scandium(III) atoms while Sc/sub 4/ Cl/sub 12/Z consists of infinite chains of the condensed clusters sharing trans Sc-Sc edges, comparable to those found in Sc/sub 5/Cl/sub 8/Z and, especially, the closely related NaMo/sub 4/O/sub 6/. The scandium-scandium bond lengths in these reflect both the electron count and the effective interstitial size. Extended-Hueckel molecular orbital calculations for both borides demonstrate the prime importance of strong Sc-Z bonding. The chain phases are predicted to be metallic.

• Research Organization: Iowa State Univ., Ames
• DOE Contract Number: W-7405-ENG-82
• OSTI ID: 7008286
• Journal Information: J. Solid State Chem.; (United States), Vol. 64:3
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BORIDES
CHEMICAL PREPARATION
CRYSTAL STRUCTURE
CRYSTALLIZATION
BORON
INTERSTITIALS
NITRIDES
NITROGEN
SCANDIUM CHLORIDES
EXPERIMENTAL DATA
LATTICE PARAMETERS
SPACE GROUPS
BORON COMPOUNDS
CHLORIDES
CHLORINE COMPOUNDS
CRYSTAL DEFECTS
DATA
ELEMENTS
HALIDES
HALOGEN COMPOUNDS
INFORMATION
NITROGEN COMPOUNDS
NONMETALS
NUMERICAL DATA
PHASE TRANSFORMATIONS
PNICTIDES
POINT DEFECTS
SCANDIUM COMPOUNDS
SEMIMETALS
SYNTHESIS
TRANSITION ELEMENT COMPOUNDS
360202* - Ceramics
Cermets
& Refractories- Structure & Phase Studies
360201 - Ceramics
Cermets
& Refractories- Preparation & Fabrication