Materials Data on TbSbMo2O9 by Materials Project

TbMo2SbO9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.46 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.36–2.42 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.86 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.85 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.31 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Tb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+ and two equivalent Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb3+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one Mo6+, and one Sb3+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one Tb3+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb3+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb3+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a distorted linear geometry to one Mo6+ and one Sb3+ atom.

TbMo₂SbO₉晶体属于单斜晶系C2/c空间群，其结构为三维结构。存在两个不等价的Tb³+位点：第一个Tb³+位点中，Tb³+以八配位几何构型与八个O²-原子键合，Tb–O键长范围为2.34–2.46埃（Å）；第二个Tb³+位点中，Tb³+同样以八配位几何构型与八个O²-原子键合，Tb–O键长范围为2.36–2.42埃。存在两个不等价的Mo⁶+位点：第一个Mo⁶+位点中，Mo⁶+以四面体几何构型与四个O²-原子键合，Mo–O键长范围为1.76–1.86埃；第二个Mo⁶+位点中，Mo⁶+同样以四面体几何构型与四个O²-原子键合，Mo–O键长范围为1.77–1.85埃。Sb³+以扭曲的矩形跷跷板型几何构型与四个O²-原子键合，Sb–O键长范围为2.01–2.31埃。存在九个不等价的O²-位点：第一个O²-位点中，O²-以扭曲直线型几何构型与一个Tb³+原子和一个Mo⁶+原子键合；第二个O²-位点中，O²-以扭曲三角平面型几何构型与一个Tb³+原子、一个Mo⁶+原子和一个Sb³+原子键合；第三个O²-位点中，O²-以扭曲的150°弯曲构型与一个Tb³+原子和一个Mo⁶+原子键合；第四个O²-位点中，O²-同样以扭曲的150°弯曲构型与一个Tb³+原子和一个Mo⁶+原子键合；第五个O²-位点中，O²-以三配位几何构型与一个Tb³+原子、一个Mo⁶+原子和一个Sb³+原子键合；第六个O²-位点中，O²-以直线型几何构型与一个Tb³+原子和一个Mo⁶+原子键合；第七个O²-位点中，O²-以扭曲的150°弯曲构型与一个Tb³+原子和一个Mo⁶+原子键合；第八个O²-位点中，O²-同样以扭曲的150°弯曲构型与一个Tb³+原子和一个Mo⁶+原子键合；第九个O²-位点中，O²-以扭曲直线型几何构型与一个Mo⁶+原子和一个Sb³+原子键合。