Journal
CRYSTAL GROWTH & DESIGN
Volume 18, Issue 10, Pages 6273-6283Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.cgd.8b01141
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Funding
- University of Cologne, Cologne, Germany
- Office of the Basic Energy Sciences, Materials Sciences Division, U.S. Department of Energy (DOE)
- Department of Chemistry at Iowa State University (ISU)
- DOE [DE-AC02-07CH11358]
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Four compounds are reported in this study. Co7Pr17 (10, cP96, P2(1)3, a = 13.4147(8) angstrom, 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) angstrom, b = 6.5107(3) angstrom, c = 7.1067(3) angstrom, beta = 96.230(3)degrees, 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, Pm(3) over barn, a = 9.587(3) angstrom, Z = 8) and Co2-xSn7Pr3 (x = 0.78, 12, Ni2-xSn7-yCe3 type, oC24, Cmmm, a = 4.5043(4) angstrom, b = 27.227(2) angstrom, c = 4.5444(3) angstrom, 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.
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