Materials Data on Mn by Materials Project

doi:10.17188/1733196

Title: Materials Data on Mn by Materials Project

Dataset
Other Related Research

Abstract

Mn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.34–2.82 Å. In the second Mn site, Mn is bonded in a 9-coordinate geometry to six Mn atoms. All Mn–Mn bond lengths are 2.57 Å. In the third Mn site, Mn is bonded in a 1-coordinate geometry to ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 1.94–2.79 Å. In the fourth Mn site, Mn is bonded in a 1-coordinate geometry to four Mn atoms. All Mn–Mn bond lengths are 3.09 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to twelve Mn atoms. All Mn–Mn bond lengths are 3.13 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1191484

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; Mn; Mn

OSTI Identifier:: 1733196

DOI:: https://doi.org/10.17188/1733196

Citation Formats


                    The Materials Project. Materials Data on Mn by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1733196.

Copy to clipboard


                    The Materials Project. Materials Data on Mn by Materials Project.  United States.  doi:https://doi.org/10.17188/1733196

Copy to clipboard


                    The Materials Project. 2019.  
"Materials Data on Mn by Materials Project".  United States.  doi:https://doi.org/10.17188/1733196.  https://www.osti.gov/servlets/purl/1733196. Pub date:Fri Jan 11 00:00:00 EST 2019

Copy to clipboard


                    
@article{osti_1733196,

  title        = {Materials Data on Mn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.34–2.82 Å. In the second Mn site, Mn is bonded in a 9-coordinate geometry to six Mn atoms. All Mn–Mn bond lengths are 2.57 Å. In the third Mn site, Mn is bonded in a 1-coordinate geometry to ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 1.94–2.79 Å. In the fourth Mn site, Mn is bonded in a 1-coordinate geometry to four Mn atoms. All Mn–Mn bond lengths are 3.09 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to twelve Mn atoms. All Mn–Mn bond lengths are 3.13 Å.},

  doi          = {10.17188/1733196},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1733196

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mn(BW)2 by Materials Project

Dataset The Materials Project

Mn(WB)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. W2+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. There are two shorter (2.34 Å) and four longer (2.35 Å) W–B bond lengths. Mn2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Mn–B bond lengths are 2.34 Å. B3- is bonded in a 9-coordinate geometry to six equivalent W2+, two equivalent Mn2+, and one B3- atom. The B–B bond length is 1.87 Å.
Materials Data on Mn(PtO2)3 by Materials Project

Dataset The Materials Project

MnPt3O6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.24 Å) and four longer (2.46 Å) Mn–O bond lengths. There are two inequivalent Pt+3.33+ sites. In the first Pt+3.33+ site, Pt+3.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.00 Å. In the second Pt+3.33+ site, Pt+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 58°. Allmore »« less
Materials Data on Mn(GaS2)2 by Materials Project

Dataset The Materials Project

MnGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Mn–S bond lengths are 2.41 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedramore »« less
Materials Data on Mn(AsO3)2 by Materials Project

Dataset The Materials Project

MnAs2O6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Mn–O bond lengths are 2.25 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All As–O bond lengths are 1.87 Å. O2- is bonded in a distorted trigonalmore »« less
Materials Data on Mn(ReO4)2 by Materials Project

Dataset The Materials Project

Mn(ReO4)2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Mn(ReO4)2 sheet oriented in the (0, 0, 1) direction. Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent ReO4 tetrahedra. All Mn–O bond lengths are 2.16 Å. There are two inequivalent O2- sites. In themore »« less

Similar Records