Materials Data on MgP(CO4)2 by Materials Project

doi:10.17188/1710078

Title: Materials Data on MgP(CO4)2 by Materials Project

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Abstract

MgP(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two MgP(CO4)2 ribbons oriented in the (0, 0, 1) direction. Mg is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.95–2.62 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted linear geometry to one P and one O atom. The C–P bond length is 2.00 Å. The C–O bond length is 1.14 Å. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. P is bonded in a distorted trigonal planar geometry to one C and three O atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mg and one C atom. In the second O site, O is bonded in a single-bond geometry to one C atom. In the third O site, O is bonded in a single-bond geometry tomore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1200361

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; MgP(CO4)2; C-Mg-O-P

OSTI Identifier:: 1710078

DOI:: https://doi.org/10.17188/1710078

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                    The Materials Project. Materials Data on MgP(CO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1710078.

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                    The Materials Project. Materials Data on MgP(CO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1710078

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                    The Materials Project. 2020.  
"Materials Data on MgP(CO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1710078.  https://www.osti.gov/servlets/purl/1710078. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1710078,

  title        = {Materials Data on MgP(CO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgP(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two MgP(CO4)2 ribbons oriented in the (0, 0, 1) direction. Mg is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.95–2.62 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted linear geometry to one P and one O atom. The C–P bond length is 2.00 Å. The C–O bond length is 1.14 Å. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. P is bonded in a distorted trigonal planar geometry to one C and three O atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mg and one C atom. In the second O site, O is bonded in a single-bond geometry to one C atom. In the third O site, O is bonded in a single-bond geometry to one Mg atom. In the fourth O site, O is bonded in a single-bond geometry to one Mg atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Mg and one P atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Mg and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one C atom.},

  doi          = {10.17188/1710078},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1710078

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