Materials Data on Y4CuTe8 by Materials Project

Abstract

Y4CuTe8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.02–3.32 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.02–3.33 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.05–3.36 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.04–3.37 Å. In the fifth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.06–3.27 Å. In the sixth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.07–3.27 Å. In the seventh Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.07–3.29 Å. In the eighth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.07–3.27 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four Te+1.75- atoms. There are a spread of Cu–Te bond distances ranging from 2.61–2.76 Å. In the second Cu2+ site, Cu2+ is bonded in a distorted trigonal pyramidal geometry to four Te+1.75- atoms. There are a spread of Cu–Te bond distances ranging from 2.61–2.73 Å. There are sixteen inequivalent Te+1.75- sites. In the first Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ and two equivalent Te+1.75- atoms. There are one shorter (3.05 Å) and one longer (3.06 Å) Te–Te bond lengths. In the second Te+1.75- site, Te+1.75- is bonded in a 7-coordinate geometry to four Y3+, one Cu2+, and two equivalent Te+1.75- atoms. Both Te–Te bond lengths are 3.05 Å. In the third Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the fourth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the fifth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the sixth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the seventh Te+1.75- site, Te+1.75- is bonded in a 1-coordinate geometry to four Y3+, one Cu2+, and two equivalent Te+1.75- atoms. In the eighth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the ninth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ and two equivalent Te+1.75- atoms. In the tenth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the eleventh Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the twelfth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the thirteenth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the fourteenth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the fifteenth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the sixteenth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms.