Materials Data on Ca(PrTe2)2 by Materials Project

doi:10.17188/1207377

Title: Materials Data on Ca(PrTe2)2 by Materials Project

Dataset
Other Related Research

Abstract

Ca(PrTe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Te2- atoms to form distorted CaTe8 hexagonal bipyramids that share corners with eight equivalent PrTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent PrTe8 hexagonal bipyramids. There are four shorter (3.22 Å) and four longer (3.45 Å) Ca–Te bond lengths. Pr3+ is bonded to eight equivalent Te2- atoms to form distorted PrTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent PrTe8 hexagonal bipyramids, edges with four equivalent PrTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.24–3.42 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Pr3+ atoms.

Publication Date:: 2020-05-01

Other Number(s):: mp-37520

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ca(PrTe2)2; Ca-Pr-Te; crystal structure

OSTI Identifier:: 1207377

DOI:: https://doi.org/10.17188/1207377

Citation Formats


                    Materials Data on Ca(PrTe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207377.

Copy to clipboard


                    Materials Data on Ca(PrTe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207377

Copy to clipboard


                    2020.  
"Materials Data on Ca(PrTe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207377.  https://www.osti.gov/servlets/purl/1207377. Pub date:Fri May 01 20:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1207377,

  title        = {Materials Data on Ca(PrTe2)2 by Materials Project},

  
  abstractNote = {Ca(PrTe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Te2- atoms to form distorted CaTe8 hexagonal bipyramids that share corners with eight equivalent PrTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent PrTe8 hexagonal bipyramids. There are four shorter (3.22 Å) and four longer (3.45 Å) Ca–Te bond lengths. Pr3+ is bonded to eight equivalent Te2- atoms to form distorted PrTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent PrTe8 hexagonal bipyramids, edges with four equivalent PrTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.24–3.42 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Pr3+ atoms.},

  doi          = {10.17188/1207377},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1207377

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Ca(BeAs)2 by Materials Project

Dataset

Ca(BeAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent As3- atoms to form CaAs6 octahedra that share corners with twelve equivalent BeAs4 tetrahedra, edges with six equivalent CaAs6 octahedra, and edges with six equivalent BeAs4 tetrahedra. All Ca–As bond lengths are 2.95 Å. Be2+ is bonded to four equivalent As3- atoms to form BeAs4 tetrahedra that share corners with six equivalent CaAs6 octahedra, corners with six equivalent BeAs4 tetrahedra, edges with three equivalent CaAs6 octahedra, and edges with three equivalent BeAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–49°. Allmore »« less
Materials Data on Ca(AuF6)2 by Materials Project

Dataset

Ca(AuF6)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(AuF6)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to twelve F1- atoms to form distorted CaF12 cuboctahedra that share corners with four equivalent CaF12 cuboctahedra and faces with four equivalent AuF6 octahedra. There are eight shorter (2.58 Å) and four longer (2.87 Å) Ca–F bond lengths. Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share faces with two equivalent CaF12 cuboctahedra. There are a spread of Au–F bond distances ranging from 1.93–1.96 Å. There are threemore »« less
Materials Data on Ca(TbS2)2 by Materials Project

Dataset

Ca(TbS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.82 Å) and four longer (3.05 Å) Ca–S bond lengths. Tb3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing TbS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.77–3.02 Å. S2- is bonded to two equivalent Ca2+ and four equivalent Tb3+ atoms to form a mixture of distorted corner, edge, and face-sharing SCa2Tb4 octahedra. The corner-sharing octahedra tilt anglesmore » range from 17–50°.« less
Materials Data on Ca(AlGe)2 by Materials Project

Dataset

CaAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca is bonded to six equivalent Ge atoms to form CaGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent CaGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Ca–Ge bond lengths are 3.06 Å. Al is bonded to four equivalent Ge atoms to form AlGe4 tetrahedra that share corners with six equivalent CaGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent CaGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–53°. Theremore »« less
Materials Data on Ca(NiP)2 by Materials Project

Dataset

CaNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Ca–P bond lengths are 3.00 Å. Ni2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.29 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni2+, and one P3- atom. The P–P bond length is 2.32 Å.

Similar Records