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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg(BrO3)2 by Materials Project

Mg(O3Br)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mg(O3Br)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. All Mg–O bond lengths are 2.14 Å. 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 Br5+ atom. The O–Br bond length is 1.69 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.69 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(BrO3)2 by Materials Project

Mg(O3Br)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Mg(O3Br)2 ribbons oriented in the (0, 0, 1) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (1.99 Å) and four longer (2.18 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mg2+ and one O2- atom. The O–O bond length is 1.29 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.76 Å. Br5+ is bonded in a single-bond geometry to one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(BrO3)2 by Materials Project

Mg(O3Br)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mg(O3Br)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.05 Å) and four longer (2.15 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.68 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Br5+ atom. The O–Br bond length is 1.67 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgH12(BrO6)2 by Materials Project

Mg(H2O)6(BrO3)2 is alpha bismuth trifluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight hypobromous acid;dihydrate molecules and four magnesium;hexahydrate molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(BrO6)2 by Materials Project

MgO6(BrO3)2 is Fluorite structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight hypobromous acid;dihydrate molecules and four magnesium;dihydroxide;tetrahydrate molecules.

36 MATERIALS SCIENCE↗