Materials Data on Cr2P by Materials Project

doi:10.17188/1203471

Title: Materials Data on Cr2P by Materials Project

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Abstract

Cr2P crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are six inequivalent Cr sites. In the first Cr site, Cr is bonded to four P atoms to form distorted CrP4 tetrahedra that share corners with two equivalent CrP5 square pyramids, corners with ten CrP4 tetrahedra, edges with two equivalent CrP5 square pyramids, and edges with two equivalent CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.24–2.29 Å. In the second Cr site, Cr is bonded to four P atoms to form distorted CrP4 tetrahedra that share corners with two equivalent CrP5 square pyramids, corners with ten CrP4 tetrahedra, edges with two equivalent CrP5 square pyramids, and edges with two CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.29–2.42 Å. In the third Cr site, Cr is bonded to five P atoms to form distorted CrP5 square pyramids that share corners with five equivalent CrP5 square pyramids, corners with six CrP4 tetrahedra, and edges with six CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.37–2.51 Å. In the fourth Cr site, Cr is bonded in a 3-coordinate geometry to five P atoms. There are amore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-29184

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; Cr2P; Cr-P

OSTI Identifier:: 1203471

DOI:: https://doi.org/10.17188/1203471

Citation Formats


                    The Materials Project. Materials Data on Cr2P by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203471.

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                    The Materials Project. Materials Data on Cr2P by Materials Project.  United States.  doi:https://doi.org/10.17188/1203471

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                    The Materials Project. 2020.  
"Materials Data on Cr2P by Materials Project".  United States.  doi:https://doi.org/10.17188/1203471.  https://www.osti.gov/servlets/purl/1203471. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1203471,

  title        = {Materials Data on Cr2P by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr2P crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are six inequivalent Cr sites. In the first Cr site, Cr is bonded to four P atoms to form distorted CrP4 tetrahedra that share corners with two equivalent CrP5 square pyramids, corners with ten CrP4 tetrahedra, edges with two equivalent CrP5 square pyramids, and edges with two equivalent CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.24–2.29 Å. In the second Cr site, Cr is bonded to four P atoms to form distorted CrP4 tetrahedra that share corners with two equivalent CrP5 square pyramids, corners with ten CrP4 tetrahedra, edges with two equivalent CrP5 square pyramids, and edges with two CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.29–2.42 Å. In the third Cr site, Cr is bonded to five P atoms to form distorted CrP5 square pyramids that share corners with five equivalent CrP5 square pyramids, corners with six CrP4 tetrahedra, and edges with six CrP4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.37–2.51 Å. In the fourth Cr site, Cr is bonded in a 3-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.36–2.73 Å. In the fifth Cr site, Cr is bonded in a distorted square co-planar geometry to four equivalent P atoms. All Cr–P bond lengths are 2.47 Å. In the sixth Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.20 Å) and four longer (2.39 Å) Cr–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Cr atoms. In the second P site, P is bonded in a 8-coordinate geometry to eight Cr atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Cr atoms.},

  doi          = {10.17188/1203471},

  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/10.17188/1203471

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