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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb2Te4O11 by Materials Project

Yb2Te4O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.86 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.27–2.85 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to four O2- atoms to form corner-sharing TeO4 tetrahedra. There are a spread of Te–O bond distances ranging from 1.84–2.03 Å. In the second Te4+ site, Te4+ is bonded to four O2- atoms to form distorted corner-sharing TeO4 tetrahedra. There are a spread of Te–O bond distances ranging from 1.84–2.11 Å. In the third Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.34 Å. In the fourth Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.34 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and two Te4+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a linear geometry to two Te4+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two Te4+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and two Te4+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Te4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2TeO2 by Materials Project

Yb2TeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb3+ is bonded to three equivalent Te2- and four equivalent O2- atoms to form distorted YbTe3O4 trigonal pyramids that share corners with three equivalent YbTe3O4 trigonal pyramids, corners with nine equivalent OYb4Te3 trigonal pyramids, edges with three equivalent OYb4Te3 trigonal pyramids, edges with twelve equivalent YbTe3O4 trigonal pyramids, and a faceface with one OYb4Te3 trigonal pyramid. All Yb–Te bond lengths are 3.67 Å. There are three shorter (2.18 Å) and one longer (2.27 Å) Yb–O bond lengths. Te2- is bonded in a 6-coordinate geometry to six equivalent Yb3+, six equivalent Te2-, and six equivalent O2- atoms. All Te–Te bond lengths are 3.73 Å. All Te–O bond lengths are 3.94 Å. O2- is bonded to four equivalent Yb3+ and three equivalent Te2- atoms to form OYb4Te3 trigonal pyramids that share corners with three equivalent OYb4Te3 trigonal pyramids, corners with nine equivalent YbTe3O4 trigonal pyramids, edges with three equivalent YbTe3O4 trigonal pyramids, edges with twelve equivalent OYb4Te3 trigonal pyramids, and a faceface with one YbTe3O4 trigonal pyramid.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2TeO2 by Materials Project

Yb2TeO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All Yb–Te bond lengths are 3.69 Å. All Yb–O bond lengths are 2.21 Å. Te2- is bonded in a 8-coordinate geometry to eight equivalent Yb3+ atoms. O2- is bonded to four equivalent Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2TeO6 by Materials Project

Yb2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form distorted YbO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent YbO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are a spread of Yb–O bond distances ranging from 2.24–2.43 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent YbO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There are four shorter (2.34 Å) and two longer (2.38 Å) Yb–O bond lengths. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent YbO6 octahedra and edges with three equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There is three shorter (1.93 Å) and three longer (1.94 Å) Te–O bond length. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent YbO6 octahedra and edges with three equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Te–O bond lengths are 1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Te6+ atom.

36 MATERIALS SCIENCE↗