DOI: 10.17188/1278880
title: Materials Data on La11(Ni2Ge3)2 by Materials Project

description: La11Ni4Ge6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The La–Ni bond length is 2.98 Å. There are a spread of La–Ge bond distances ranging from 3.18–3.39 Å. In the second La site, La is bonded in a 7-coordinate geometry to three Ni and four Ge atoms. There are a spread of La–Ni bond distances ranging from 2.94–3.06 Å. There are a spread of La–Ge bond distances ranging from 3.26–3.28 Å. In the third La site, La is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The La–Ni bond length is 2.95 Å. There are a spread of La–Ge bond distances ranging from 3.17–3.20 Å. In the fourth La site, La is bonded in a 8-coordinate geometry to four Ni and four Ge atoms. There are a spread of La–Ni bond distances ranging from 3.07–3.12 Å. There are a spread of La–Ge bond distances ranging from 3.16–3.54 Å. In the fifth La site, La is bonded in a 7-coordinate geometry to three Ni and four Ge atoms. There are two shorter (2.89 Å) and one longer (3.00 Å) La–Ni bond lengths. There are a spread of La–Ge bond distances ranging from 3.21–3.76 Å. In the sixth La site, La is bonded in a 8-coordinate geometry to four Ni and four Ge atoms. There are a spread of La–Ni bond distances ranging from 3.06–3.13 Å. There are a spread of La–Ge bond distances ranging from 3.16–3.55 Å. In the seventh La site, La is bonded in a square co-planar geometry to four Ge atoms. All La–Ge bond lengths are 3.14 Å. In the eighth La site, La is bonded in a 7-coordinate geometry to three Ni and four Ge atoms. There are a spread of La–Ni bond distances ranging from 2.95–3.08 Å. There are a spread of La–Ge bond distances ranging from 3.26–3.28 Å. In the ninth La site, La is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The La–Ni bond length is 2.93 Å. There are a spread of La–Ge bond distances ranging from 3.17–3.21 Å. In the tenth La site, La is bonded in a 7-coordinate geometry to three Ni and four Ge atoms. There are two shorter (2.90 Å) and one longer (3.01 Å) La–Ni bond lengths. There are a spread of La–Ge bond distances ranging from 3.21–3.76 Å. In the eleventh La site, La is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The La–Ni bond length is 2.97 Å. There are a spread of La–Ge bond distances ranging from 3.18–3.40 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six La, two equivalent Ni, and one Ge atom. There are one shorter (2.64 Å) and one longer (2.66 Å) Ni–Ni bond lengths. The Ni–Ge bond length is 2.56 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six La, one Ni, and two equivalent Ge atoms. The Ni–Ni bond length is 2.53 Å. Both Ni–Ge bond lengths are 2.61 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to six La, one Ni, and two equivalent Ge atoms. Both Ni–Ge bond lengths are 2.62 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to six La, two equivalent Ni, and one Ge atom. The Ni–Ge bond length is 2.56 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight La and one Ni atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight La and one Ni atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms.