Materials Data on Nd3TlTe6 by Materials Project

TlNd3Te6 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two neodymium molecules; four tellurium molecules; and one Nd2TlTe4 sheet oriented in the (0, 0, 1) direction. In the Nd2TlTe4 sheet, Nd3+ is bonded in a linear geometry to two equivalent Te2- atoms. Both Nd–Te bond lengths are 2.88 Å. Tl3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Te2- atoms. All Tl–Te bond lengths are 3.44 Å. Te2- is bonded in a 2-coordinate geometry to one Nd3+, one Tl3+, and one Te2- atom. The Te–Te bond length is 3.28 Å.

TlNd₃Te₆结晶于正交晶系（orthorhombic）的Cmmm空间群（space group）。该材料为二维结构，其结构组成为两个钕原子、四个碲原子，以及一片沿(0, 0, 1)晶向取向的Nd₂TlTe₄片层。在Nd₂TlTe₄片层中，Nd³⁺采取直线型配位几何（linear geometry），与两个等价的Te²⁻阴离子配位，Nd–Te键长均为2.88埃。Tl³⁺采取畸变的矩形跷板式配位几何（distorted rectangular see-saw-like geometry），与四个等价的Te²⁻阴离子配位，所有Tl–Te键长均为3.44埃。Te²⁻采取二配位几何（2-coordinate geometry），与一个Nd³⁺、一个Tl³⁺以及另一个Te²⁻原子配位，该Te–Te键长为3.28埃。