Materials Data on Ti11Ni9Pt4 by Materials Project

Abstract

Ti11Pt4Ni9 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted hexagonal bipyramidal geometry to four Pt and four Ni atoms. There are two shorter (2.65 Å) and two longer (2.66 Å) Ti–Pt bond lengths. All Ti–Ni bond lengths are 2.52 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Pt and six Ni atoms. Both Ti–Pt bond lengths are 2.63 Å. There are a spread of Ti–Ni bond distances ranging from 2.52–2.54 Å. In the third Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Pt and six Ni atoms. Both Ti–Pt bond lengths are 2.64 Å. There are a spread of Ti–Ni bond distances ranging from 2.50–2.57 Å. In the fourth Ti site, Ti is bonded in a 8-coordinate geometry to four Pt and four Ni atoms. There are a spread of Ti–Pt bond distances ranging from 2.65–2.68 Å. There are a spread of Ti–Ni bond distances ranging from 2.48–2.52 Å. In the fifth Ti site, Ti is bonded in a 9-coordinate geometry to three Pt and six Ni atoms. There are a spread of Ti–Pt bond distances ranging from 3.01–3.07 Å. There are a spread of Ti–Ni bond distances ranging from 2.48–2.69 Å. In the sixth Ti site, Ti is bonded in a 9-coordinate geometry to three Pt and six Ni atoms. There are a spread of Ti–Pt bond distances ranging from 2.84–2.91 Å. There are a spread of Ti–Ni bond distances ranging from 2.37–2.73 Å. In the seventh Ti site, Ti is bonded in a 7-coordinate geometry to one Pt and seven Ni atoms. The Ti–Pt bond length is 3.19 Å. There are a spread of Ti–Ni bond distances ranging from 2.57–2.69 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to eight Ti, two Pt, and four Ni atoms. There are one shorter (3.02 Å) and one longer (3.03 Å) Pt–Pt bond lengths. There are a spread of Pt–Ni bond distances ranging from 2.77–2.82 Å. In the second Pt site, Pt is bonded in a 4-coordinate geometry to seven Ti, one Pt, and four Ni atoms. There are a spread of Pt–Ni bond distances ranging from 2.77–2.84 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six Ti and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.77 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to seven Ti, two Pt, and two Ni atoms. The Ni–Ni bond length is 2.61 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to seven Ti, two Pt, and one Ni atom. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to seven Ti, two Pt, and one Ni atom. The Ni–Ni bond length is 2.58 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to seven Ti, two Pt, and one Ni atom. The Ni–Ni bond length is 2.60 Å.