Materials Data on Er3Si13Os4 by Materials Project

Er3Os4Si13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to four equivalent Os+1.25- and twelve equivalent Si+0.31- atoms. All Er–Os bond lengths are 3.11 Å. There are eight shorter (3.16 Å) and four longer (3.21 Å) Er–Si bond lengths. Os+1.25- is bonded in a 6-coordinate geometry to three equivalent Er3+ and six equivalent Si+0.31- atoms. All Os–Si bond lengths are 2.43 Å. There are two inequivalent Si+0.31- sites. In the first Si+0.31- site, Si+0.31- is bonded in a 2-coordinate geometry to three equivalent Er3+, two equivalent Os+1.25-, and one Si+0.31- atom. The Si–Si bond length is 2.76 Å. In the second Si+0.31- site, Si+0.31- is bonded in a cuboctahedral geometry to twelve equivalent Si+0.31- atoms.