DOI: 10.17188/1739734
title: Materials Data on Rb11Mn8O16 by Materials Project

description: Rb11Mn8O16 crystallizes in the orthorhombic F222 space group. The structure is three-dimensional. there are twelve inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.96 Å) and two longer (3.09 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.78 Å) and two longer (2.89 Å) Rb–O bond lengths. 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 2.78–3.31 Å. In the fourth 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 2.77–3.36 Å. In the fifth 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 2.80–3.40 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 2.83–3.24 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 2.87–3.21 Å. In the eighth 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 2.89–3.18 Å. In the ninth 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 2.85–3.37 Å. In the tenth 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 2.85–3.49 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 2.77–2.94 Å. In the twelfth 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 2.87–3.10 Å. There are seventeen inequivalent Mn+2.62+ sites. In the first Mn+2.62+ site, Mn+2.62+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.92 Å. In the second Mn+2.62+ site, Mn+2.62+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.06 Å. In the third Mn+2.62+ site, Mn+2.62+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.91 Å) and two longer (1.94 Å) Mn–O bond length. In the fourth Mn+2.62+ site, Mn+2.62+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.94 Å) Mn–O bond length. In the fifth Mn+2.62+ site, Mn+2.62+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Mn–O bond lengths. In the sixth Mn+2.62+ site, Mn+2.62+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (1.95 Å) Mn–O bond length. In the seventh Mn+2.62+ site, Mn+2.62+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.09 Å) Mn–O bond lengths. In the eighth Mn+2.62+ site, Mn+2.62+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (1.94 Å) Mn–O bond length. In the ninth Mn+2.62+ site, Mn+2.62+ is bonded in a 4-coordinate geometry to four O2- atoms. All Mn–O bond lengths are 2.07 Å. In the tenth Mn+2.62+ site, Mn+2.62+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.95 Å) Mn–O bond length. In the eleventh Mn+2.62+ site, Mn+2.62+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (1.95 Å) Mn–O bond length. In the twelfth Mn+2.62+ site, Mn+2.62+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.95 Å) Mn–O bond length. In the thirteenth Mn+2.62+ site, Mn+2.62+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.94 Å) Mn–O bond length. In the fourteenth Mn+2.62+ site, Mn+2.62+ is bonded to four O2- atoms to form distorted edge-sharing MnO4 tetrahedra. There are two shorter (2.06 Å) and two longer (2.11 Å) Mn–O bond lengths. In the fifteenth Mn+2.62+ site, Mn+2.62+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.94 Å) Mn–O bond length. In the sixteenth Mn+2.62+ site, Mn+2.62+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.08 Å) Mn–O bond lengths. In the seventeenth Mn+2.62+ site, Mn+2.62+ is bonded in a 4-coordinate geometry to four O2- atoms. All Mn–O bond lengths are 2.07 Å. There are seventeen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Mn+2.62+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Mn+2.62+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and two Mn+2.62+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Mn+2.62+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Mn+2.62+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two Mn+2.62+ atoms. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Mn+2.62+ atoms. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Mn+2.62+ atoms.