Materials Data on MnSeO3 by Materials Project

MnSeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form distorted edge-sharing MnO6 pentagonal pyramids. There are a spread of Mn–O bond distances ranging from 2.13–2.36 Å. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.09–2.70 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.75 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.74 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Mn2+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn2+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two Mn2+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn2+ and one Se4+ atom.

亚硒酸锰(II)（MnSeO₃）结晶于单斜晶系（monoclinic）P2₁/c空间群（space group），其晶体结构为三维（three-dimensional）结构。体系中存在两个不等价的Mn²+位点；在第一个Mn²+位点中，Mn²+与六个O²-原子配位，形成畸变的共享边MnO₆五角锥（pentagonal pyramid）结构，Mn-O键长（bond distance）分布范围为2.13~2.36埃（Å）。在第二个Mn²+位点中，Mn²+采取六配位几何（6-coordinate geometry）构型，与六个O²-原子配位，Mn-O键长分布范围为2.09~2.70埃（Å）。体系中存在两个不等价的Se⁴+位点；在第一个Se⁴+位点中，Se⁴+为三角非共面配位（trigonal non-coplanar geometry）构型，与三个O²-原子成键，Se-O键长分别为1个较短的1.69埃与两个较长的1.75埃。在第二个Se⁴+位点中，Se⁴+为畸变三角非共面配位构型，与三个O²-原子成键，Se-O键长分别为两个较短的1.73埃与一个较长的1.74埃。体系中存在六个不等价的O²-位点；在第一个O²-位点中，O²-为畸变三角平面配位（distorted trigonal planar geometry）构型，与两个等价的Mn²+以及一个Se⁴+原子成键。在第二个O²-位点中，O²-为150°键角的弯曲配位（bent geometry）构型，与一个Mn²+以及一个Se⁴+原子成键。在第三个O²-位点中，O²-为三配位几何构型，与两个Mn²+以及一个Se⁴+原子成键。在第四个O²-位点中，O²-为四配位几何构型，与三个Mn²+以及一个Se⁴+原子成键。在第五个O²-位点中，O²-为三角平面配位构型，与两个Mn²+以及一个Se⁴+原子成键。在第六个O²-位点中，O²-为畸变三角平面配位构型，与两个Mn²+以及一个Se⁴+原子成键。