Materials Data on CsYb(MoO4)2 by Materials Project

doi:10.17188/1662775

Title: Materials Data on CsYb(MoO4)2 by Materials Project

Dataset
Other Related Research

Abstract

CsYb(MoO4)2 crystallizes in the orthorhombic Pccm space group. The structure is three-dimensional. Cs1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (3.11 Å) and four longer (3.55 Å) Cs–O bond lengths. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.47 Å) Yb–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.76 Å) and three longer (1.82 Å) Mo–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Yb3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1213408

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; CsYb(MoO4)2; Cs-Mo-O-Yb

OSTI Identifier:: 1662775

DOI:: https://doi.org/10.17188/1662775

Citation Formats


                    The Materials Project. Materials Data on CsYb(MoO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662775.

Copy to clipboard


                    The Materials Project. Materials Data on CsYb(MoO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662775

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on CsYb(MoO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662775.  https://www.osti.gov/servlets/purl/1662775. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1662775,

  title        = {Materials Data on CsYb(MoO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsYb(MoO4)2 crystallizes in the orthorhombic Pccm space group. The structure is three-dimensional. Cs1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (3.11 Å) and four longer (3.55 Å) Cs–O bond lengths. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.47 Å) Yb–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.76 Å) and three longer (1.82 Å) Mo–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Yb3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom.},

  doi          = {10.17188/1662775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1662775

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CsYb(MoO4)2 by Materials Project

Dataset The Materials Project

CsYb(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 2.95–3.47 Å. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.78 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.80–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometrymore »« less
Materials Data on CsYb(MoO4)2 by Materials Project

Dataset The Materials Project

CsYb(MoO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.14–3.57 Å. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.50 Å) Yb–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.84 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distortedmore »« less
Materials Data on CsYb(SO4)2 by Materials Project

Dataset The Materials Project

CsYb(SO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded to eight O2- atoms to form distorted CsO8 hexagonal bipyramids that share corners with four equivalent SO4 tetrahedra, edges with six equivalent CsO8 hexagonal bipyramids, and edges with two equivalent SO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 3.14–3.34 Å. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.36–2.65 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent CsO8more »« less
Materials Data on CsYb(WO4)2 by Materials Project

Dataset The Materials Project

CsYb(WO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded to twelve O2- atoms to form distorted CsO12 cuboctahedra that share corners with four equivalent WO6 octahedra, edges with four equivalent CsO12 cuboctahedra, edges with two equivalent WO6 octahedra, faces with two equivalent CsO12 cuboctahedra, and faces with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 39–47°. There are a spread of Cs–O bond distances ranging from 3.17–3.58 Å. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.34–2.47 Å.more »« less
Materials Data on CsYb(WO4)2 by Materials Project

Dataset The Materials Project

CsYb(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 2.97–3.12 Å. Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.43 Å. W6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of W–O bond distances ranging from 1.83–2.12 Å. There are four inequivalent O2- sites.more »« less

Similar Records