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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tm2GeO5 by Materials Project

Tm2GeO5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Tm–O bond distances ranging from 1.79–2.29 Å. In the second Tm3+ site, Tm3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tm–O bond distances ranging from 1.57–2.28 Å. In the third Tm3+ site, Tm3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tm–O bond distances ranging from 1.56–2.27 Å. In the fourth Tm3+ site, Tm3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Tm–O bond distances ranging from 1.79–2.28 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.62–2.09 Å. In the second Ge4+ site, Ge4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.23–1.94 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Tm3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Tm3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Tm3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tm3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Tm3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in an L-shaped geometry to two Tm3+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Tm3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded in an L-shaped geometry to two Tm3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2GeO5 by Materials Project

Tm2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.21–2.53 Å. In the second Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.40 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.73–1.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tm3+ and one Ge4+ atom. In the second O2- site, O2- is bonded to four Tm3+ atoms to form OTm4 tetrahedra that share corners with five OTm4 tetrahedra and edges with three OTm3Ge tetrahedra. In the third O2- site, O2- is bonded to three Tm3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OTm3Ge tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗