Materials Data on La5(MoO4)4 by Materials Project

doi:10.17188/1736368

Title: Materials Data on La5(MoO4)4 by Materials Project

Dataset
Other Related Research

Abstract

La5Mo4O16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.65 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.54 Å. In the third La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.65 Å. There are three inequivalent Mo+4.25+ sites. In the first Mo+4.25+ site, Mo+4.25+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Mo–O bond distances ranging from 1.97–2.20 Å. In the second Mo+4.25+ site, Mo+4.25+ is bonded to six O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 28–37°. There are a spread of Mo–O bond distances ranging from 1.91–2.08 Å. In the third Mo+4.25+ site, Mo+4.25+ is bonded to six O2- atoms tomore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1223266

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; La5(MoO4)4; La-Mo-O

OSTI Identifier:: 1736368

DOI:: https://doi.org/10.17188/1736368

Citation Formats


                    The Materials Project. Materials Data on La5(MoO4)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1736368.

Copy to clipboard


                    The Materials Project. Materials Data on La5(MoO4)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1736368

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on La5(MoO4)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1736368.  https://www.osti.gov/servlets/purl/1736368. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1736368,

  title        = {Materials Data on La5(MoO4)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La5Mo4O16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.65 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.54 Å. In the third La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.65 Å. There are three inequivalent Mo+4.25+ sites. In the first Mo+4.25+ site, Mo+4.25+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Mo–O bond distances ranging from 1.97–2.20 Å. In the second Mo+4.25+ site, Mo+4.25+ is bonded to six O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 28–37°. There are a spread of Mo–O bond distances ranging from 1.91–2.08 Å. In the third Mo+4.25+ site, Mo+4.25+ is bonded to six O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 28–37°. There are a spread of Mo–O bond distances ranging from 2.13–2.18 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to two La3+ and two Mo+4.25+ atoms to form distorted corner-sharing OLa2Mo2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Mo+4.25+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Mo+4.25+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Mo+4.25+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Mo+4.25+ atom. In the sixth O2- site, O2- is bonded to three La3+ and one Mo+4.25+ atom to form corner-sharing OLa3Mo tetrahedra. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Mo+4.25+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Mo+4.25+ atoms.},

  doi          = {10.17188/1736368},

  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/10.17188/1736368

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on La5(AlBr)4 by Materials Project

Dataset The Materials Project

La5(AlBr)4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a distorted linear geometry to eight equivalent Al and two equivalent Br atoms. All La–Al bond lengths are 3.26 Å. Both La–Br bond lengths are 3.16 Å. In the second La site, La is bonded in a 6-coordinate geometry to four equivalent Al and five Br atoms. There are a spread of La–Al bond distances ranging from 3.15–3.37 Å. There are a spread of La–Br bond distances ranging from 3.15–3.45 Å. Al ismore »« less
Materials Data on La5(Mo16O27)2 by Materials Project

Dataset The Materials Project

La5(Mo16O27)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.37–3.16 Å. In the second La site, La is bonded in a 5-coordinate geometry to five O atoms. There are a spread of La–O bond distances ranging from 2.29–2.64 Å. In the third La site, La is bonded in a 12-coordinate geometry to six O atoms. There are a spread of La–O bond distances ranging frommore »« less
Materials Data on La5(Mo2O7)3 by Materials Project

Dataset The Materials Project

La5Mo6O21 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.71 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.93 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging frommore »« less
Materials Data on La5(SiN3)3 by Materials Project

Dataset The Materials Project

La5Si3N9 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.47–3.12 Å. In the second La3+ site, La3+ is bonded to seven N3- atoms to form LaN7 pentagonal bipyramids that share corners with two equivalent SiN4 tetrahedra, edges with two equivalent LaN6 octahedra, and edges with four SiN4 tetrahedra. There are a spread of La–N bond distances ranging from 2.50–2.69 Å. In the third La3+ site,more »« less
Materials Data on La5(BN3)2 by Materials Project

Dataset The Materials Project

La5(BN3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent La+2.40+ sites. In the first La+2.40+ site, La+2.40+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.49–2.82 Å. In the second La+2.40+ site, La+2.40+ is bonded to seven N3- atoms to form distorted LaN7 pentagonal bipyramids that share corners with two equivalent LaN6 octahedra, edges with three equivalent LaN6 octahedra, edges with two equivalent LaN7 pentagonal bipyramids, and faces with two equivalent LaN7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 5°.more »« less

Similar Records