Materials Data on Ag3SbTe6 by Materials Project

AgAg2SbTe4(Te)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two silver molecules; four tellurium molecules; and one Ag2SbTe4 sheet oriented in the (0, 0, 1) direction. In the Ag2SbTe4 sheet, Ag1+ is bonded in a linear geometry to two equivalent Te1- atoms. Both Ag–Te bond lengths are 2.66 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Te1- atoms. All Sb–Te bond lengths are 3.01 Å. Te1- is bonded in a 3-coordinate geometry to one Ag1+, one Sb3+, and one Te1- atom. The Te–Te bond length is 2.78 Å.

AgAg2SbTe4(Te)2 晶体属于正交晶系Cmmm空间群。该结构为二维构型，由两个银分子、四个碲分子以及一片沿(0, 0, 1)方向取向的Ag2SbTe4片层组成。在Ag2SbTe4片层中，一价银离子（Ag1+）以直线型配位方式与两个等价的一价碲离子（Te1-）成键，二者的Ag–Te键长均为2.66 Å。三价锑离子（Sb3+）以畸变矩形跷跷板型配位方式与四个等价的Te1-离子成键，所有Sb–Te键长均为3.01 Å。Te1-离子以三配位几何构型分别与一个Ag1+、一个Sb3+以及另一个Te1-原子成键，Te–Te键长为2.78 Å。