Materials Data on Re4Si7 by Materials Project

Abstract

Re4Si7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eight inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 9-coordinate geometry to nine Si+1.71- atoms. There are a spread of Re–Si bond distances ranging from 2.51–2.67 Å. In the second Re3+ site, Re3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Re–Si bond distances ranging from 2.42–2.54 Å. In the third Re3+ site, Re3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Re–Si bond distances ranging from 2.49–2.65 Å. In the fourth Re3+ site, Re3+ is bonded in a distorted q6 geometry to nine Si+1.71- atoms. There are a spread of Re–Si bond distances ranging from 2.50–2.70 Å. In the fifth Re3+ site, Re3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Re–Si bond distances ranging from 2.50–2.68 Å. In the sixth Re3+ site, Re3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Re–Si bond distances ranging from 2.41–2.53 Å. In the seventh Re3+ site, Re3+ is bonded in a 9-coordinate geometry to nine Si+1.71- atoms. There are a spread of Re–Si bond distances ranging from 2.50–3.08 Å. In the eighth Re3+ site, Re3+ is bonded in a 8-coordinate geometry to eight Si+1.71- atoms. There are a spread of Re–Si bond distances ranging from 2.49–2.60 Å. There are fourteen inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to five Re3+ and four Si+1.71- atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.75 Å. In the second Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to five Re3+ and four Si+1.71- atoms. There are two shorter (2.65 Å) and two longer (2.67 Å) Si–Si bond lengths. In the third Si+1.71- site, Si+1.71- is bonded in a distorted q6 geometry to five Re3+ and four Si+1.71- atoms. There are two shorter (2.65 Å) and two longer (2.68 Å) Si–Si bond lengths. In the fourth Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to five Re3+ and four Si+1.71- atoms. Both Si–Si bond lengths are 2.63 Å. In the fifth Si+1.71- site, Si+1.71- is bonded in a 7-coordinate geometry to four Re3+ and three Si+1.71- atoms. There are one shorter (2.39 Å) and two longer (2.87 Å) Si–Si bond lengths. In the sixth Si+1.71- site, Si+1.71- is bonded in a distorted q6 geometry to five Re3+ and five Si+1.71- atoms. There are one shorter (2.55 Å) and two longer (2.64 Å) Si–Si bond lengths. In the seventh Si+1.71- site, Si+1.71- is bonded in a distorted q6 geometry to five Re3+ and four Si+1.71- atoms. There are two shorter (2.55 Å) and one longer (2.61 Å) Si–Si bond lengths. In the eighth Si+1.71- site, Si+1.71- is bonded in a distorted q6 geometry to five Re3+ and five Si+1.71- atoms. There are a spread of Si–Si bond distances ranging from 2.62–2.65 Å. In the ninth Si+1.71- site, Si+1.71- is bonded in a distorted q6 geometry to five Re3+ and five Si+1.71- atoms. In the tenth Si+1.71- site, Si+1.71- is bonded in a 10-coordinate geometry to five Re3+ and five Si+1.71- atoms. In the eleventh Si+1.71- site, Si+1.71- is bonded in a distorted q6 geometry to five Re3+ and four Si+1.71- atoms. In the twelfth Si+1.71- site, Si+1.71- is bonded in a 6-coordinate geometry to three Re3+ and three Si+1.71- atoms. Both Si–Si bond lengths are 2.84 Å. In the thirteenth Si+1.71- site, Si+1.71- is bonded in a distorted q6 geometry to five Re3+ and five Si+1.71- atoms. In the fourteenth Si+1.71- site, Si+1.71- is bonded in a 10-coordinate geometry to five Re3+ and five Si+1.71- atoms.