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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tm2CuO4 by Materials Project

Tm2CuO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.58 Å. Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (2.04 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Tm3+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Tm3+ and one Cu2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2CuO4 by Materials Project

Tm2CuO4 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Tm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.22–2.74 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There is two shorter (1.91 Å) and two longer (1.93 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tm3+ atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Tm3+ and two equivalent Cu2+ atoms.

36 MATERIALS SCIENCE↗