DOI: 10.17188/1699761
title: Materials Data on Rb8Mn5O10 by Materials Project

description: Rb8Mn5O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are sixteen inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.18 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share a cornercorner with one RbO4 tetrahedra, corners with four MnO4 tetrahedra, and corners with two MnO4 trigonal pyramids. There are a spread of Rb–O bond distances ranging from 2.80–3.00 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.48 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.33 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.22 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.25 Å. In the seventh Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.81–3.42 Å. In the eighth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.79–3.39 Å. In the ninth Rb1+ site, Rb1+ is bonded to four O2- atoms to form RbO4 tetrahedra that share a cornercorner with one RbO4 tetrahedra, corners with four MnO4 tetrahedra, and corners with three MnO4 trigonal pyramids. There are a spread of Rb–O bond distances ranging from 2.89–3.08 Å. In the tenth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.16 Å. In the eleventh Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.74–3.08 Å. In the twelfth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.77–3.40 Å. In the thirteenth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.12 Å. In the fourteenth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.07 Å. In the fifteenth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.13 Å. In the sixteenth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.37 Å. There are ten inequivalent Mn+2.40+ sites. In the first Mn+2.40+ site, Mn+2.40+ is bonded to four O2- atoms to form distorted MnO4 trigonal pyramids that share a cornercorner with one RbO4 tetrahedra and edges with two MnO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. In the second Mn+2.40+ site, Mn+2.40+ is bonded to four O2- atoms to form distorted MnO4 trigonal pyramids that share corners with two RbO4 tetrahedra and an edgeedge with one MnO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.97 Å. In the third Mn+2.40+ site, Mn+2.40+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. In the fourth Mn+2.40+ site, Mn+2.40+ is bonded to four O2- atoms to form distorted MnO4 trigonal pyramids that share corners with two RbO4 tetrahedra and edges with two MnO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. In the fifth Mn+2.40+ site, Mn+2.40+ is bonded to four O2- atoms to form distorted MnO4 tetrahedra that share a cornercorner with one RbO4 tetrahedra and edges with two MnO4 trigonal pyramids. There are two shorter (2.07 Å) and two longer (2.12 Å) Mn–O bond lengths. In the sixth Mn+2.40+ site, Mn+2.40+ is bonded to four O2- atoms to form distorted MnO4 tetrahedra that share a cornercorner with one RbO4 tetrahedra and an edgeedge with one MnO4 trigonal pyramid. There are a spread of Mn–O bond distances ranging from 2.06–2.10 Å. In the seventh Mn+2.40+ site, Mn+2.40+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 2.07–2.13 Å. In the eighth Mn+2.40+ site, Mn+2.40+ is bonded to four O2- atoms to form distorted MnO4 tetrahedra that share corners with two equivalent RbO4 tetrahedra and an edgeedge with one MnO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 2.07–2.16 Å. In the ninth Mn+2.40+ site, Mn+2.40+ is bonded to four O2- atoms to form distorted MnO4 tetrahedra that share a cornercorner with one RbO4 tetrahedra, an edgeedge with one MnO4 tetrahedra, and an edgeedge with one MnO4 trigonal pyramid. There are a spread of Mn–O bond distances ranging from 2.07–2.13 Å. In the tenth Mn+2.40+ site, Mn+2.40+ is bonded to four O2- atoms to form distorted MnO4 tetrahedra that share corners with three RbO4 tetrahedra, an edgeedge with one MnO4 tetrahedra, and an edgeedge with one MnO4 trigonal pyramid. There are a spread of Mn–O bond distances ranging from 2.07–2.13 Å. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the fourth O2- site, O2- is bonded to four Rb1+ and two equivalent Mn+2.40+ atoms to form a mixture of distorted edge and corner-sharing ORb4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 57–65°. In the fifth O2- site, O2- is bonded to four Rb1+ and two equivalent Mn+2.40+ atoms to form a mixture of distorted edge and corner-sharing ORb4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 57–65°. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Mn+2.40+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two equivalent Mn+2.40+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Mn+2.40+ atoms. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the seventeenth O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.40+ atoms. In the nineteenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Mn+2.40+ atoms. In the twentieth O2- site, O2- is bonded in a 2-coordinate geometry to five Rb1+ and two Mn+2.40+ atoms.