Materials Data on La3AsBr3 by Materials Project

La3AsBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La2+ is bonded to two equivalent As3- and four equivalent Br1- atoms to form a mixture of edge and corner-sharing LaAs2Br4 octahedra. The corner-sharing octahedra tilt angles range from 3–6°. Both La–As bond lengths are 2.94 Å. There are two shorter (3.12 Å) and two longer (3.17 Å) La–Br bond lengths. As3- is bonded to six equivalent La2+ atoms to form edge-sharing AsLa6 octahedra. Br1- is bonded in a rectangular see-saw-like geometry to four equivalent La2+ atoms.

La₃AsBr₃ 结晶于立方晶系的I4₁32空间群(space group)。其结构为三维框架结构。二价镧离子(La²⁺)与两个等价的三价砷离子(As³⁻)及四个等价的一价溴离子(Br¹⁻)形成配位键，构成兼具棱共享与角共享特征的LaAs₂Br₄八面体(octahedra)。角共享八面体的倾斜角范围为3°~6°。两条La-As键的键长均为2.94 Å。La-Br键存在两组：两条较短的3.12 Å键与两条较长的3.17 Å键。三价砷离子(As³⁻)与六个等价的二价镧离子(La²⁺)配位，形成棱共享的AsLa₆八面体。一价溴离子(Br¹⁻)以矩形跷跷板状配位几何与四个等价的二价镧离子(La²⁺)配位成键。