Materials Data on Mg(BeP)2 by Materials Project

doi:10.17188/1349846

Title: Materials Data on Mg(BeP)2 by Materials Project

Dataset
Other Related Research

Abstract

Mg(BeP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent P3- atoms to form MgP6 octahedra that share corners with twelve equivalent BeP4 tetrahedra, edges with six equivalent MgP6 octahedra, and edges with six equivalent BeP4 tetrahedra. All Mg–P bond lengths are 2.68 Å. Be2+ is bonded to four equivalent P3- atoms to form BeP4 tetrahedra that share corners with six equivalent MgP6 octahedra, corners with six equivalent BeP4 tetrahedra, edges with three equivalent MgP6 octahedra, and edges with three equivalent BeP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.21 Å) and one longer (2.23 Å) Be–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Mg2+ and four equivalent Be2+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-1017628

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; Be-Mg-P; Mg(BeP)2; crystal structure

OSTI Identifier:: 1349846

DOI:: https://doi.org/10.17188/1349846

Citation Formats


                    Materials Data on Mg(BeP)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349846.

Copy to clipboard


                    Materials Data on Mg(BeP)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349846

Copy to clipboard


                    2020.  
"Materials Data on Mg(BeP)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349846.  https://www.osti.gov/servlets/purl/1349846. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1349846,

  title        = {Materials Data on Mg(BeP)2 by Materials Project},

  
  abstractNote = {Mg(BeP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent P3- atoms to form MgP6 octahedra that share corners with twelve equivalent BeP4 tetrahedra, edges with six equivalent MgP6 octahedra, and edges with six equivalent BeP4 tetrahedra. All Mg–P bond lengths are 2.68 Å. Be2+ is bonded to four equivalent P3- atoms to form BeP4 tetrahedra that share corners with six equivalent MgP6 octahedra, corners with six equivalent BeP4 tetrahedra, edges with three equivalent MgP6 octahedra, and edges with three equivalent BeP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.21 Å) and one longer (2.23 Å) Be–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Mg2+ and four equivalent Be2+ atoms.},

  doi          = {10.17188/1349846},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1349846

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ca(BeP)2 by Materials Project

Dataset

Ca(BeP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent P3- atoms to form CaP6 octahedra that share corners with twelve equivalent BeP4 tetrahedra, edges with six equivalent CaP6 octahedra, and edges with six equivalent BeP4 tetrahedra. All Ca–P bond lengths are 2.87 Å. Be2+ is bonded to four equivalent P3- atoms to form BeP4 tetrahedra that share corners with six equivalent CaP6 octahedra, corners with six equivalent BeP4 tetrahedra, edges with three equivalent CaP6 octahedra, and edges with three equivalent BeP4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–49°. Allmore »« less
Materials Data on Mg(IN)2 by Materials Project

Dataset

Mg(NI)2 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of two Mg(NI)2 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded to two equivalent N and four equivalent I1- atoms to form edge-sharing MgI4N2 octahedra. Both Mg–N bond lengths are 2.25 Å. All Mg–I bond lengths are 2.86 Å. N is bonded in a single-bond geometry to one Mg2+ atom. I1- is bonded in an L-shaped geometry to two equivalent Mg2+ atoms.
Materials Data on Mg(NiS2)2 by Materials Project

Dataset

Mg(NiS2)2 is Spinel structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four S2- atoms to form MgS4 tetrahedra that share corners with twelve NiS6 octahedra. The corner-sharing octahedra tilt angles range from 60–61°. There are two shorter (2.41 Å) and two longer (2.42 Å) Mg–S bond lengths. In the second Mg2+ site, Mg2+ is bonded to four S2- atoms to form MgS4 tetrahedra that share corners with twelve NiS6 octahedra. The corner-sharing octahedra tilt angles range from 60–61°. There aremore »« less
Materials Data on Mg(NO3)2 by Materials Project

Dataset

Mg(NO3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.16 Å. In the second Mg2+ site, Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.10 Å. In the third Mg2+ site, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.10–2.15 Å. In themore »« less
Materials Data on Mg(IO3)2 by Materials Project

Dataset

Mg(IO3)2 crystallizes in the orthorhombic Pbcn space group. The structure is one-dimensional and consists of two Mg(IO3)2 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.10–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one I5+ atom. The O–I bond length is 1.87 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry tomore »« less

Similar Records