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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Bi2SeO2 by Materials Project

Bi2O2Se crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Bi3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Bi–Se bond lengths are 3.32 Å. All Bi–O bond lengths are 2.34 Å. Se2- is bonded in a distorted body-centered cubic geometry to eight equivalent Bi3+ atoms. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi2SeO2 by Materials Project

Bi2O2Se crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to one Se2- and four equivalent O2- atoms. The Bi–Se bond length is 3.30 Å. All Bi–O bond lengths are 2.90 Å. Se2- is bonded in a square co-planar geometry to two equivalent Bi3+ and four equivalent O2- atoms. All Se–O bond lengths are 2.08 Å. O2- is bonded to four equivalent Bi3+ and two equivalent Se2- atoms to form a mixture of distorted corner, edge, and face-sharing OBi4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗