Materials Data on Gd4Ge3O13 by Materials Project
Gd4Ge3O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Gd sites. In the first Gd site, Gd is bonded in a 1-coordinate geometry to three O atoms. There are a spread of Gd–O bond distances ranging from 1.96–2.37 Å. In the second Gd site, Gd is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Gd–O bond distances ranging from 1.91–2.42 Å. In the third Gd site, Gd is bonded in a 3-coordinate geometry to four O atoms. There are a spread of Gd–O bond distances ranging from 2.17–2.81 Å. In the fourth Gd site, Gd is bonded in a 2-coordinate geometry to one Ge and five O atoms. The Gd–Ge bond length is 2.00 Å. There are a spread of Gd–O bond distances ranging from 1.83–2.45 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to three O atoms. There are a spread of Ge–O bond distances ranging from 1.34–2.00 Å. In the second Ge site, Ge is bonded in a distorted single-bond geometry to four O atoms. There are a spread of Ge–O bond distances ranging from 1.12–2.31 Å. In the third Ge site, Ge is bonded in a 3-coordinate geometry to one Gd and three O atoms. There are a spread of Ge–O bond distances ranging from 1.66–1.87 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Gd and one Ge atom. In the second O site, O is bonded in a water-like geometry to one Gd and one Ge atom. In the third O site, O is bonded in a distorted L-shaped geometry to one Gd and one Ge atom. In the fourth O site, O is bonded in a linear geometry to two Gd atoms. In the fifth O site, O is bonded in a single-bond geometry to one Gd atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Gd atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to one Gd and two Ge atoms. In the eighth O site, O is bonded in a 1-coordinate geometry to two equivalent Gd and one Ge atom. In the ninth O site, O is bonded in a 2-coordinate geometry to one Gd and one Ge atom. In the tenth O site, O is bonded in a single-bond geometry to one Gd and one Ge atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to two Gd and one Ge atom. In the twelfth O site, O is bonded in a single-bond geometry to one Gd atom. In the thirteenth O site, O is bonded in a 3-coordinate geometry to one Gd and one Ge atom.