Materials Data on Mg(IO3)2 by Materials Project

doi:10.17188/1300044

Title: Materials Data on Mg(IO3)2 by Materials Project

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Abstract

Mg(IO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Mg2+ is bonded to seven O2- atoms to form distorted corner-sharing MgO7 pentagonal bipyramids. There are a spread of Mg–O bond distances ranging from 2.12–2.46 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and three I5+ atoms. There are a spread of O–I bond distances ranging from 1.88–2.70 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and two I5+ atoms. There are one shorter (1.85 Å) and one longer (2.62 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.64 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one I5+ atom. The O–I bond length is 1.85 Å. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Mg2+ and two I5+ atoms. There are one shorter (1.86 Å) and onemore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-770718

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; Mg(IO3)2; I-Mg-O

OSTI Identifier:: 1300044

DOI:: https://doi.org/10.17188/1300044

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                    The Materials Project. Materials Data on Mg(IO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300044.

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                    The Materials Project. Materials Data on Mg(IO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300044

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                    The Materials Project. 2020.  
"Materials Data on Mg(IO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300044.  https://www.osti.gov/servlets/purl/1300044. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1300044,

  title        = {Materials Data on Mg(IO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg(IO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Mg2+ is bonded to seven O2- atoms to form distorted corner-sharing MgO7 pentagonal bipyramids. There are a spread of Mg–O bond distances ranging from 2.12–2.46 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and three I5+ atoms. There are a spread of O–I bond distances ranging from 1.88–2.70 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and two I5+ atoms. There are one shorter (1.85 Å) and one longer (2.62 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.64 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one I5+ atom. The O–I bond length is 1.85 Å. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Mg2+ and two I5+ atoms. There are one shorter (1.86 Å) and one longer (2.51 Å) O–I bond lengths. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and two equivalent I5+ atoms. There are one shorter (1.88 Å) and one longer (2.46 Å) O–I bond lengths. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms.},

  doi          = {10.17188/1300044},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1300044

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Materials Data on Mg(IO3)2 by Materials Project

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Mg(IO3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.15 Å. In the second Mg2+ site, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.14 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and onemore »« less
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Mg(IO3)2 crystallizes in the trigonal P3 space group. The structure is two-dimensional and consists of one Mg(IO3)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.09 Å) and three longer (2.15 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one I5+ atom. The O–I bond length is 1.84 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry tomore »« less

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