Materials Data on ErC3O8 by Materials Project

ErC3O8 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Er–O bond distances ranging from 2.09–2.69 Å. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one C atom. In the second O site, O is bonded in an L-shaped geometry to one Er and one C atom. In the third O site, O is bonded in a single-bond geometry to one Er atom. In the fourth O site, O is bonded in an L-shaped geometry to one Er and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Er and one C atom. In the sixth O site, O is bonded in a distorted linear geometry to one Er and one C atom. In the seventh O site, O is bonded in a single-bond geometry to one C atom. In the eighth O site, O is bonded in a distorted linear geometry to one Er and one C atom.

ErC₃O₈结晶于正交晶系（orthorhombic）P2₁2₁2₁空间群。其结构为三维结构。Er原子以七配位几何（7-coordinate geometry）与七个O原子键合，Er–O键长分布范围为2.09至2.69埃。存在三个不等价的C原子位点：第一个C原子位点中，C原子以直线形几何（linear geometry）与两个O原子键合，存在一条较短的C–O键（1.17埃）和一条较长的C–O键（1.18埃）；第二个C原子位点中，C原子以直线形几何与两个O原子键合，同样存在一条较短的C–O键（1.17埃）和一条较长的C–O键（1.18埃）；第三个C原子位点中，C原子以三角平面形几何（trigonal planar geometry）与三个O原子键合，C–O键长分布范围为1.28至1.31埃。存在八个不等价的O原子位点：第一个O原子位点中，O原子以150度弯曲形几何（bent geometry）与一个Er原子和一个C原子键合；第二个O原子位点中，O原子以L形几何（L-shaped geometry）与一个Er原子和一个C原子键合；第三个O原子位点中，O原子以单键几何（single-bond geometry）与一个Er原子键合；第四个O原子位点中，O原子以L形几何与一个Er原子和一个C原子键合；第五个O原子位点中，O原子以扭曲的单键几何与一个Er原子和一个C原子键合；第六个O原子位点中，O原子以扭曲的直线形几何与一个Er原子和一个C原子键合；第七个O原子位点中，O原子以单键几何与一个C原子键合；第八个O原子位点中，O原子以扭曲的直线形几何与一个Er原子和一个C原子键合。