Materials Data on Mg4(BiO2)9 by Materials Project
Mg4(BiO2)9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 1.99–2.03 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 1.95–2.03 Å. In the third Mg2+ site, Mg2+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 1.96–2.09 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mg–O bond distances ranging from 2.01–2.77 Å. There are nine inequivalent Bi+3.11+ sites. In the first Bi+3.11+ site, Bi+3.11+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.08–2.37 Å. In the second Bi+3.11+ site, Bi+3.11+ is bonded to four O2- atoms to form distorted corner-sharing BiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.10–2.30 Å. In the third Bi+3.11+ site, Bi+3.11+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.49 Å. In the fourth Bi+3.11+ site, Bi+3.11+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share a cornercorner with one BiO5 square pyramid, a cornercorner with one BiO4 tetrahedra, and a cornercorner with one BiO4 trigonal pyramid. There are a spread of Bi–O bond distances ranging from 2.13–2.85 Å. In the fifth Bi+3.11+ site, Bi+3.11+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.09–2.65 Å. In the sixth Bi+3.11+ site, Bi+3.11+ is bonded to four O2- atoms to form distorted corner-sharing BiO4 trigonal pyramids. There are a spread of Bi–O bond distances ranging from 2.14–2.73 Å. In the seventh Bi+3.11+ site, Bi+3.11+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.70 Å. In the eighth Bi+3.11+ site, Bi+3.11+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.38 Å. In the ninth Bi+3.11+ site, Bi+3.11+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share a cornercorner with one BiO5 square pyramid, a cornercorner with one BiO4 tetrahedra, and a cornercorner with one BiO4 trigonal pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.66 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two Bi+3.11+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two Bi+3.11+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two Bi+3.11+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two Bi+3.11+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi+3.11+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mg2+ and one Bi+3.11+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi+3.11+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two Bi+3.11+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+ and three Bi+3.11+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Bi+3.11+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.11+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two Bi+3.11+ atoms. In the thirteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Mg2+ and two Bi+3.11+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+ and three Bi+3.11+ atoms. In the fifteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Mg2+ and one Bi+3.11+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two Bi+3.11+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted tetrahedral geometry to four Bi+3.11+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mg2+ and one Bi+3.11+ atom.