Materials Data on UGa3Ni by Materials Project

UNiGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to four equivalent Ni and twelve Ga atoms. All U–Ni bond lengths are 3.27 Å. There are a spread of U–Ga bond distances ranging from 3.07–3.31 Å. Ni is bonded in a 5-coordinate geometry to four equivalent U and five Ga atoms. There are one shorter (2.29 Å) and four longer (2.38 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent U, one Ni, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.67 Å. In the second Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four equivalent U, two equivalent Ni, and two equivalent Ga atoms.

UNiGa₃结晶于四方晶系I4mm空间群。该晶体结构为三维骨架结构。铀原子采取四配位构型，与4个等价的镍原子以及12个镓原子成键。所有U-Ni键长均为3.27埃（Å）。U-Ga键长分布范围为3.07~3.31埃（Å）。镍原子采取五配位构型，与4个等价的铀原子以及5个镓原子成键。Ni-Ga键存在两类键长：1根为2.29埃（Å），其余4根为2.38埃（Å）。体系中存在两种不等价的镓原子位点。在第一种镓位点中，镓原子采取单配位构型，与4个等价的铀原子、1个镍原子以及4个等价的镓原子成键，所有Ga-Ga键长均为2.67埃（Å）。在第二种镓位点中，镓原子采取畸变的120°弯曲配位构型，与4个等价的铀原子、2个等价的镍原子以及2个等价的镓原子成键。