Publication Date

9-6-2018

Department

Ames Laboratory; Chemistry; Materials Science and Engineering

Campus Units

Ames Laboratory, Chemistry, Materials Science and Engineering

OSTI ID+

1477240

Report Number

IS-J 9755

DOI

10.1021/acs.cgd.8b01141

Journal Title

Crystal Growth and Design

Volume Number

18

Issue Number

10

First Page

6273

Last Page

6283

Abstract

Four compounds are reported in this study. Co7Pr17 (10, cP96, P213, a = 13.4147(8) Å, Z = 4), either nonexistent or obscured in the Co/Pr phase diagram, has been obtained from a PrBr3 flux. With 29.2 mol % Co, it is close to Co2Pr5 (28.6 mol % Co, 2, C2Mn5 type of structure, mC28, C2/c, a= 16.5471(7) Å, b = 6.5107(3) Å, c = 7.1067(3) Å, β = 96.230(3)°, Z = 4), existent in the Co/Pr phase diagram, produced by arc-melting of a stoichiometric mixture of the metals. The addition of the reactive metal tin to Co/Pr mixtures yielded two new ternary polar intermetallics, CoSn3Pr1–x(x = 0.04, 11, RuSn3La type, cP40, Pmn, a = 9.587(3) Å, Z = 8) and Co2–xSn7Pr3 (x = 0.78, 12, Ni2–xSn7–yCe3 type, oC24, Cmmm, a = 4.5043(4) Å, b= 27.227(2) Å, c = 4.5444(3) Å, Z = 2). Electronic structure calculations reveal extensive heteroatomic Co–Pr interactions in the binaries with little homoatomic contributions. With tin as the third component in the ternaries, heteroatomic Co–Sn and Sn–Pr bonding interactions are dominant, following the sequence of coordination spheres around Co.

DOE Contract Number(s)

AC02-07CH11358

Language

en

Department of Energy Subject Categories

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Publisher

Iowa State University Digital Repository, Ames IA (United States)

Available for download on Friday, September 06, 2019

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