DOI: 10.17188/1665160
title: Materials Data on Ce8Ag6Ge8O by Materials Project

description: Ce8Ag6Ge8O crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are eight inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to four Ag and five Ge atoms. There are two shorter (3.46 Å) and two longer (3.47 Å) Ce–Ag bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.03–3.43 Å. In the second Ce site, Ce is bonded in a distorted bent 120 degrees geometry to five Ge and two equivalent O atoms. There are a spread of Ce–Ge bond distances ranging from 3.03–3.55 Å. Both Ce–O bond lengths are 2.43 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six Ag and six Ge atoms. There are a spread of Ce–Ag bond distances ranging from 3.22–3.30 Å. There are a spread of Ce–Ge bond distances ranging from 3.15–3.20 Å. In the fourth Ce site, Ce is bonded in a 12-coordinate geometry to six Ag and six Ge atoms. There are a spread of Ce–Ag bond distances ranging from 3.23–3.28 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.21 Å. In the fifth Ce site, Ce is bonded in a single-bond geometry to three Ag, five Ge, and one O atom. There are one shorter (3.40 Å) and two longer (3.48 Å) Ce–Ag bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.11–3.28 Å. The Ce–O bond length is 2.28 Å. In the sixth Ce site, Ce is bonded in a 5-coordinate geometry to four Ag and five Ge atoms. There are a spread of Ce–Ag bond distances ranging from 3.39–3.45 Å. There are a spread of Ce–Ge bond distances ranging from 3.09–3.12 Å. In the seventh Ce site, Ce is bonded in a single-bond geometry to three Ag, six Ge, and one O atom. There are two shorter (3.26 Å) and one longer (3.30 Å) Ce–Ag bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.18–3.27 Å. The Ce–O bond length is 2.28 Å. In the eighth Ce site, Ce is bonded in a 10-coordinate geometry to four Ag and six Ge atoms. There are a spread of Ce–Ag bond distances ranging from 3.20–3.44 Å. There are a spread of Ce–Ge bond distances ranging from 3.17–3.20 Å. There are six inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to six Ce and four Ge atoms. There are a spread of Ag–Ge bond distances ranging from 2.66–2.89 Å. In the second Ag site, Ag is bonded in a 10-coordinate geometry to six Ce and four Ge atoms. There are a spread of Ag–Ge bond distances ranging from 2.74–2.90 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to three Ce and four Ge atoms. There are a spread of Ag–Ge bond distances ranging from 2.65–2.89 Å. In the fourth Ag site, Ag is bonded in a 10-coordinate geometry to six Ce and four Ge atoms. There are a spread of Ag–Ge bond distances ranging from 2.63–2.89 Å. In the fifth Ag site, Ag is bonded in a 12-coordinate geometry to three Ce, two equivalent Ag, and four Ge atoms. Both Ag–Ag bond lengths are 3.20 Å. There are a spread of Ag–Ge bond distances ranging from 2.74–2.83 Å. In the sixth Ag site, Ag is bonded in a 12-coordinate geometry to six Ce, two equivalent Ag, and four Ge atoms. There are a spread of Ag–Ge bond distances ranging from 2.70–2.87 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Ag, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two Ag, and one Ge atom. The Ge–Ge bond length is 2.56 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Ce and three Ag atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Ce and three Ag atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to five Ce, three Ag, and one Ge atom. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to five Ce, three Ag, and one Ge atom. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to five Ce and four Ag atoms. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to five Ce and four Ag atoms. O is bonded to four Ce atoms to form corner-sharing OCe4 tetrahedra.