Materials Data on NdPO4 by Materials Project

doi:10.17188/1190199

Title: Materials Data on NdPO4 by Materials Project

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Abstract

NdPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent O2- atoms to form distorted NdO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent NdO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.43 Å) and four longer (2.56 Å) Nd–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent NdO8 hexagonal bipyramids and edges with two equivalent NdO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-14190

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; NdPO4; Nd-O-P

OSTI Identifier:: 1190199

DOI:: https://doi.org/10.17188/1190199

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                    The Materials Project. Materials Data on NdPO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190199.

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                    The Materials Project. Materials Data on NdPO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190199

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                    The Materials Project. 2020.  
"Materials Data on NdPO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190199.  https://www.osti.gov/servlets/purl/1190199. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1190199,

  title        = {Materials Data on NdPO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent O2- atoms to form distorted NdO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent NdO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.43 Å) and four longer (2.56 Å) Nd–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent NdO8 hexagonal bipyramids and edges with two equivalent NdO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one P5+ atom.},

  doi          = {10.17188/1190199},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1190199

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