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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoTe2 by Materials Project

HoTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of Ho–Te bond distances ranging from 3.16–3.27 Å. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded to five equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing TeHo5 trigonal bipyramids. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoTe3 by Materials Project

HoTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two HoTe3 sheets oriented in the (0, 1, 0) direction. Ho3+ is bonded in a 7-coordinate geometry to seven Te1- atoms. There are a spread of Ho–Te bond distances ranging from 3.05–3.47 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 4-coordinate geometry to six equivalent Ho3+ atoms. In the second Te1- site, Te1- is bonded in a distorted single-bond geometry to one Ho3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.12 Å. In the third Te1- site, Te1- is bonded in a 4-coordinate geometry to four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Te3 by Materials Project

(HoTe)2Te crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one tellurium molecule and two HoTe clusters. In each HoTe cluster, Ho3+ is bonded in a single-bond geometry to one Te2- atom. The Ho–Te bond length is 2.62 Å. Te2- is bonded in a single-bond geometry to one Ho3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Te3 by Materials Project

Ho2Te3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing HoTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Ho–Te bond distances ranging from 3.06–3.09 Å. In the second Ho3+ site, Ho3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing HoTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two shorter (3.06 Å) and four longer (3.07 Å) Ho–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Ho3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Te5 by Materials Project

Ho2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ho2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to nine Te+1.20- atoms. There are a spread of Ho–Te bond distances ranging from 3.23–3.27 Å. In the second Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to nine Te+1.20- atoms. There are a spread of Ho–Te bond distances ranging from 3.15–3.30 Å. There are four inequivalent Te+1.20- sites. In the first Te+1.20- site, Te+1.20- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Te+1.20- atoms. All Te–Te bond lengths are 3.10 Å. In the second Te+1.20- site, Te+1.20- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Te+1.20- atoms. All Te–Te bond lengths are 3.10 Å. In the third Te+1.20- site, Te+1.20- is bonded to five Ho3+ atoms to form a mixture of distorted corner and edge-sharing TeHo5 trigonal bipyramids. In the fourth Te+1.20- site, Te+1.20- is bonded in a 5-coordinate geometry to five Ho3+ atoms.

36 MATERIALS SCIENCE↗