Materials Data on Ce3Ta(Cl3O2)2 by Materials Project

doi:10.17188/1751444

Title: Materials Data on Ce3Ta(Cl3O2)2 by Materials Project

Dataset
Other Related Research

Abstract

Ce3Ta(O2Cl3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce3+ is bonded in a 2-coordinate geometry to two equivalent O2- and six Cl1- atoms. Both Ce–O bond lengths are 2.38 Å. There are a spread of Ce–Cl bond distances ranging from 2.89–3.10 Å. Ta5+ is bonded to five O2- atoms to form corner-sharing TaO5 trigonal bipyramids. There is three shorter (1.91 Å) and two longer (1.98 Å) Ta–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1213823

DOE Contract Number:: AC02-05CH11231; EDCBEE

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

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

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Ce3Ta(Cl3O2)2; Ce-Cl-O-Ta

OSTI Identifier:: 1751444

DOI:: https://doi.org/10.17188/1751444

Citation Formats


                    The Materials Project. Materials Data on Ce3Ta(Cl3O2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751444.

Copy to clipboard


                    The Materials Project. Materials Data on Ce3Ta(Cl3O2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751444

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ce3Ta(Cl3O2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751444.  https://www.osti.gov/servlets/purl/1751444. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1751444,

  title        = {Materials Data on Ce3Ta(Cl3O2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3Ta(O2Cl3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce3+ is bonded in a 2-coordinate geometry to two equivalent O2- and six Cl1- atoms. Both Ce–O bond lengths are 2.38 Å. There are a spread of Ce–Cl bond distances ranging from 2.89–3.10 Å. Ta5+ is bonded to five O2- atoms to form corner-sharing TaO5 trigonal bipyramids. There is three shorter (1.91 Å) and two longer (1.98 Å) Ta–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms.},

  doi          = {10.17188/1751444},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1751444

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ge2RuC4(Cl3O2)2 by Materials Project

Dataset The Materials Project

Ru(CO)4(GeCl3)2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of eight trichlorogermane molecules and four Ru(CO)4 clusters. In each Ru(CO)4 cluster, Ru6+ is bonded in a rectangular see-saw-like geometry to four C atoms. There is one shorter (1.96 Å) and three longer (1.97 Å) Ru–C bond length. There are four inequivalent C sites. In the first C site, C is bonded in a linear geometry to one Ru6+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C site, C is bonded in a distorted linear geometry to one Ru6+more »« less
Materials Data on Pr3Nb(Cl3O2)2 by Materials Project

Dataset The Materials Project

Pr3NbO4Cl6 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Pr3+ is bonded in a 2-coordinate geometry to two equivalent O2- and six Cl1- atoms. Both Pr–O bond lengths are 2.39 Å. There are a spread of Pr–Cl bond distances ranging from 2.92–3.08 Å. Nb5+ is bonded to five O2- atoms to form corner-sharing NbO5 trigonal bipyramids. There is three shorter (1.92 Å) and two longer (2.00 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Pr3+ and one Nb5+ atom.more »« less
Materials Data on H2Pb4C(Cl3O2)2 by Materials Project

Dataset The Materials Project

Pb4CH2(O2Cl3)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to two equivalent O2- and seven Cl1- atoms. There are one shorter (2.74 Å) and one longer (2.77 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 2.99–3.42 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.88–3.24 Å. In the third Pb2+ site, Pb2+ is bondedmore »« less
Materials Data on Ba5Si(Cl3O2)2 by Materials Project

Dataset The Materials Project

Ba5SiO4Cl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 2-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of Ba–O bond distances ranging from 2.62–2.94 Å. There are a spread of Ba–Cl bond distances ranging from 3.14–3.54 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to two equivalent O2- and six Cl1- atoms. Both Ba–O bond lengths are 2.68 Å. There are a spread of Ba–Cl bond distances ranging from 3.06–3.40 Å.more »« less
Materials Data on PS2N(Cl3O2)2 by Materials Project

Dataset The Materials Project

N2(PCl4)2(SO2Cl)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four [pcl4]+1 molecules, four ammonia molecules, and eight SO2Cl clusters. In each SO2Cl cluster, S2+ is bonded in a 2-coordinate geometry to two O2- and one Cl1- atom. There is one shorter (1.44 Å) and one longer (1.45 Å) S–O bond length. The S–Cl bond length is 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to onemore »« less

Similar Records