Materials Data on NdMn4(CuO4)3 by Materials Project

doi:10.17188/1652672

Title: Materials Data on NdMn4(CuO4)3 by Materials Project

Dataset
Other Related Research

Abstract

NdCu3Mn4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Nd–O bond lengths are 2.61 Å. Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. All Mn–O bond lengths are 2.00 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. O2- is bonded in a 3-coordinate geometry to one Nd3+, two equivalent Mn+4.50+, and one Cu1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1209905

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; NdMn4(CuO4)3; Cu-Mn-Nd-O

OSTI Identifier:: 1652672

DOI:: https://doi.org/10.17188/1652672

Citation Formats


                    The Materials Project. Materials Data on NdMn4(CuO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652672.

Copy to clipboard


                    The Materials Project. Materials Data on NdMn4(CuO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652672

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on NdMn4(CuO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652672.  https://www.osti.gov/servlets/purl/1652672. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1652672,

  title        = {Materials Data on NdMn4(CuO4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdCu3Mn4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Nd–O bond lengths are 2.61 Å. Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. All Mn–O bond lengths are 2.00 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. O2- is bonded in a 3-coordinate geometry to one Nd3+, two equivalent Mn+4.50+, and one Cu1+ atom.},

  doi          = {10.17188/1652672},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1652672

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on NdTi3Fe(CuO4)3 by Materials Project

Dataset The Materials Project

NdTi3Fe(CuO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve O2- atoms to form NdO12 cuboctahedra that share faces with two equivalent FeO6 octahedra and faces with six equivalent TiO6 octahedra. All Nd–O bond lengths are 2.61 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four equivalent TiO6 octahedra, and faces with two equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Ti–O bond distances ranging from 1.96–2.00 Å. Fe3+ is bonded tomore »« less
Materials Data on CaTi4(CuO4)3 by Materials Project

Dataset The Materials Project

CaCu3Ti4O12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to twelve O2- atoms to form CaO12 cuboctahedra that share faces with eight TiO6 octahedra. There are six shorter (2.61 Å) and six longer (2.62 Å) Ca–O bond lengths. In the second Ca2+ site, Ca2+ is bonded to twelve O2- atoms to form CaO12 cuboctahedra that share faces with eight TiO6 octahedra. There are six shorter (2.61 Å) and six longer (2.62 Å) Ca–O bond lengths. There are two inequivalent Ti4+ sites. In themore »« less
Materials Data on Ba3Sc4(CuO4)3 by Materials Project

Dataset The Materials Project

Ba3Cu3Sc4O12 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 2-coordinate geometry to one Cu2+ and twelve O2- atoms. The Ba–Cu bond length is 2.95 Å. There are a spread of Ba–O bond distances ranging from 2.70–3.37 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share faces with two equivalent BaO12 cuboctahedra and faces with eight equivalent ScO6 octahedra. There are eight shorter (3.03 Å) and four longer (3.16 Å) Ba–O bondmore »« less
Materials Data on Ba2Sr2Co(CuO4)3 by Materials Project

Dataset The Materials Project

Ba2Sr2Co(CuO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded to twelve O atoms to form BaO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, corners with eight BaO12 cuboctahedra, faces with two equivalent BaO12 cuboctahedra, faces with four SrO12 cuboctahedra, faces with two equivalent CoO6 octahedra, and faces with six CuO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.80–2.90 Å. In the second Ba site, Ba is bonded to twelve O atoms tomore »« less
Materials Data on Ba3SrCo(CuO4)3 by Materials Project

Dataset The Materials Project

Ba3SrCo(CuO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to twelve O atoms to form BaO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, corners with eight BaO12 cuboctahedra, faces with two equivalent SrO12 cuboctahedra, faces with four BaO12 cuboctahedra, faces with two equivalent CoO6 octahedra, and faces with six CuO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.80–2.88 Å. In the second Ba site, Ba is bonded to twelve O atoms tomore »« less

Similar Records