Materials Data on Pr4(GeS4)3 by Materials Project

doi:10.17188/1266477

Title: Materials Data on Pr4(GeS4)3 by Materials Project

Dataset
Other Related Research

Abstract

Pr4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are six shorter (2.91 Å) and three longer (3.43 Å) Pr–S bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pr–S bond distances ranging from 2.88–3.08 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.27 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Pr3+ and one Ge4+ atom. In the second S2- site, S2- is bonded to three Pr3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SPr3Ge tetrahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Ge4+ atom.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-542269

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; Ge-Pr-S; Pr4(GeS4)3; crystal structure

OSTI Identifier:: 1266477

DOI:: https://doi.org/10.17188/1266477

Citation Formats


                    Materials Data on Pr4(GeS4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266477.

Copy to clipboard


                    Materials Data on Pr4(GeS4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266477

Copy to clipboard


                    2020.  
"Materials Data on Pr4(GeS4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266477.  https://www.osti.gov/servlets/purl/1266477. Pub date:Wed Jul 15 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1266477,

  title        = {Materials Data on Pr4(GeS4)3 by Materials Project},

  
  abstractNote = {Pr4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are six shorter (2.91 Å) and three longer (3.43 Å) Pr–S bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pr–S bond distances ranging from 2.88–3.08 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.27 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Pr3+ and one Ge4+ atom. In the second S2- site, S2- is bonded to three Pr3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SPr3Ge tetrahedra. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Pr3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Pr3+ and one Ge4+ atom.},

  doi          = {10.17188/1266477},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1266477

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on La4(GeS4)3 by Materials Project

Dataset

La4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.12 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of La–S bond distances ranging from 2.93–3.42 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.23 Å) and one longer (2.27 Å) Ge–S bond lengths. Theremore »« less
Materials Data on Nd4(GeS4)3 by Materials Project

Dataset

Nd4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Nd–S bond distances ranging from 2.86–3.07 Å. In the second Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are six shorter (2.89 Å) and three longer (3.40 Å) Nd–S bond lengths. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.27 Å. Theremore »« less
Materials Data on Ce4(GeS4)3 by Materials Project

Dataset

Ce4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.09 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are six shorter (2.89 Å) and three longer (3.39 Å) Ce–S bond lengths. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.23–2.28 Å. Theremore »« less
Materials Data on Gd4(GeS4)3 by Materials Project

Dataset

Gd4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are a spread of Gd–S bond distances ranging from 2.83–3.37 Å. In the second Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Gd–S bond distances ranging from 2.81–3.01 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.27 Å. There are fourmore »« less
Materials Data on Rb4Cu8(GeS4)3 by Materials Project

Dataset

Rb4Cu8(GeS4)3 crystallizes in the tetragonal I-4c2 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four S2- atoms to form distorted RbS4 trigonal pyramids that share corners with four GeS4 tetrahedra. There are two shorter (3.14 Å) and two longer (3.24 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. There are two shorter (3.35 Å) and two longer (3.36 Å) Rb–S bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+more »« less

Similar Records