Materials Data on La4Ni3Pb4 by Materials Project

Abstract

La4Ni3Pb4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 1-coordinate geometry to four Ni and five Pb atoms. There are a spread of La–Ni bond distances ranging from 2.78–3.79 Å. There are a spread of La–Pb bond distances ranging from 3.36–3.87 Å. In the second La site, La is bonded in a 1-coordinate geometry to four Ni and five Pb atoms. There are a spread of La–Ni bond distances ranging from 2.77–3.78 Å. There are a spread of La–Pb bond distances ranging from 3.36–3.87 Å. In the third La site, La is bonded in a 7-coordinate geometry to three Ni and seven Pb atoms. There are one shorter (3.02 Å) and two longer (3.03 Å) La–Ni bond lengths. There are a spread of La–Pb bond distances ranging from 3.29–4.07 Å. In the fourth La site, La is bonded in a 1-coordinate geometry to four Ni and five Pb atoms. There are a spread of La–Ni bond distances ranging from 2.78–3.79 Å. There are a spread of La–Pb bond distances ranging from 3.36–3.86 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to five La, two Ni, and two Pb atoms. Both Ni–Ni bond lengths are 2.49 Å. There are one shorter (2.69 Å) and one longer (2.86 Å) Ni–Pb bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to five La, two Ni, and two Pb atoms. The Ni–Ni bond length is 2.49 Å. There are one shorter (2.70 Å) and one longer (2.85 Å) Ni–Pb bond lengths. In the third Ni site, Ni is bonded in a 9-coordinate geometry to five La, two Ni, and two Pb atoms. There are one shorter (2.69 Å) and one longer (2.87 Å) Ni–Pb bond lengths. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a 2-coordinate geometry to six La, two Ni, and one Pb atom. The Pb–Pb bond length is 3.04 Å. In the second Pb site, Pb is bonded in a 10-coordinate geometry to four La and three Pb atoms. There are one shorter (3.03 Å) and one longer (3.04 Å) Pb–Pb bond lengths. In the third Pb site, Pb is bonded in a 2-coordinate geometry to six La, two Ni, and one Pb atom. In the fourth Pb site, Pb is bonded in a 2-coordinate geometry to six La, two Ni, and one Pb atom.