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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrTe3 by Materials Project

PrTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two PrTe3 sheets oriented in the (0, 1, 0) direction. Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.33- atoms. There are a spread of Pr–Te bond distances ranging from 3.27–3.40 Å. There are two inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.33- atoms. All Te–Te bond lengths are 3.12 Å. In the second Te+1.33- site, Te+1.33- is bonded in a 5-coordinate geometry to five equivalent Pr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Te4 by Materials Project

Pr3Te4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr is bonded to eight equivalent Te atoms to form a mixture of distorted face, edge, and corner-sharing PrTe8 hexagonal bipyramids. There are four shorter (3.24 Å) and four longer (3.41 Å) Pr–Te bond lengths. Te is bonded to six equivalent Pr atoms to form a mixture of distorted face, edge, and corner-sharing TePr6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrTe by Materials Project

PrTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded to six equivalent Te atoms to form a mixture of edge and corner-sharing PrTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Te bond lengths are 3.21 Å. Te is bonded to six equivalent Pr atoms to form a mixture of edge and corner-sharing TePr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrTe by Materials Project

PrTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Te atoms. All Pr–Te bond lengths are 3.38 Å. Te is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrTe2 by Materials Project

PrTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Pr–Te bond distances ranging from 3.31–3.38 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.20 Å. In the second Te2- site, Te2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing TePr5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Te5 by Materials Project

Pr2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Pr2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Pr4+ sites. In the first Pr4+ site, Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are a spread of Pr–Te bond distances ranging from 3.31–3.38 Å. In the second Pr4+ site, Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are a spread of Pr–Te bond distances ranging from 3.29–3.40 Å. There are five inequivalent Te+1.60- sites. In the first Te+1.60- site, Te+1.60- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.16 Å. In the second Te+1.60- site, Te+1.60- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.60- atoms. In the third Te+1.60- site, Te+1.60- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.16 Å. In the fourth Te+1.60- site, Te+1.60- is bonded in a 5-coordinate geometry to five Pr4+ atoms. In the fifth Te+1.60- site, Te+1.60- is bonded in a 5-coordinate geometry to five Pr4+ atoms.

36 MATERIALS SCIENCE↗