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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn(BW)2 by Materials Project

Mn(WB)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. W2+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. There are two shorter (2.34 Å) and four longer (2.35 Å) W–B bond lengths. Mn2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Mn–B bond lengths are 2.34 Å. B3- is bonded in a 9-coordinate geometry to six equivalent W2+, two equivalent Mn2+, and one B3- atom. The B–B bond length is 1.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2B4W by Materials Project

WMn2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. W2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing WB12 cuboctahedra. There are eight shorter (2.36 Å) and four longer (2.45 Å) W–B bond lengths. Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are three shorter (2.13 Å) and four longer (2.22 Å) Mn–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent W2+, five equivalent Mn2+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.80 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent W2+, two equivalent Mn2+, and three B+1.50- atoms. The B–B bond length is 1.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3B4W by Materials Project

WMn3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. W6+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.28–2.32 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.19–2.29 Å. In the second Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.16–2.37 Å. In the third Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.22–2.38 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to one W6+, six Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnB4W3 by Materials Project

W3MnB4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent W+3.33+ sites. In the first W+3.33+ site, W+3.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.32–2.55 Å. In the second W+3.33+ site, W+3.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.29–2.34 Å. In the third W+3.33+ site, W+3.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.33–2.54 Å. Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.17–2.46 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six W+3.33+, one Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.85 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to five W+3.33+, two equivalent Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to three W+3.33+, four equivalent Mn2+, and two equivalent B3- atoms. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to seven W+3.33+ and two equivalent B3- atoms.

36 MATERIALS SCIENCE↗