Materials Data on NdPOs2C by Materials Project

doi:10.17188/1680186

Title: Materials Data on NdPOs2C by Materials Project

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Abstract

NdOs2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Nd–C bond lengths are 2.70 Å. Os2- is bonded in a distorted single-bond geometry to one C4- and three equivalent P5+ atoms. The Os–C bond length is 1.89 Å. There are one shorter (2.44 Å) and two longer (2.52 Å) Os–P bond lengths. C4- is bonded to four equivalent Nd3+ and two equivalent Os2- atoms to form a mixture of corner and edge-sharing CNd4Os2 octahedra. The corner-sharing octahedral tilt angles are 22°. P5+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1206657

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; NdPOs2C; C-Nd-Os-P

OSTI Identifier:: 1680186

DOI:: https://doi.org/10.17188/1680186

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                    The Materials Project. Materials Data on NdPOs2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680186.

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                    The Materials Project. Materials Data on NdPOs2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1680186

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                    The Materials Project. 2020.  
"Materials Data on NdPOs2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1680186.  https://www.osti.gov/servlets/purl/1680186. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680186,

  title        = {Materials Data on NdPOs2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdOs2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Nd–C bond lengths are 2.70 Å. Os2- is bonded in a distorted single-bond geometry to one C4- and three equivalent P5+ atoms. The Os–C bond length is 1.89 Å. There are one shorter (2.44 Å) and two longer (2.52 Å) Os–P bond lengths. C4- is bonded to four equivalent Nd3+ and two equivalent Os2- atoms to form a mixture of corner and edge-sharing CNd4Os2 octahedra. The corner-sharing octahedral tilt angles are 22°. P5+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms.},

  doi          = {10.17188/1680186},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680186

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