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MnB4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mn is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing MnB12 cuboctahedra. There are four shorter (2.06 Å) and eight longer (2.19 Å) Mn–B bond lengths. B is bonded in a 7-coordinate geometry to three equivalent Mn and four equivalent B atoms. There are a spread of B–B bond distances ranging from 1.71–1.88 Å.
Mn3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.19 Å. In the second Mn2+ site, Mn2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MnB12 cuboctahedra. There are eight shorter (2.27 Å) and four longer (2.35 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 seven Mn2+ and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to six Mn2+ and three B+1.50- atoms. The B–B bond length is 1.72 Å.
Mn2B is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Mn is bonded in a 4-coordinate geometry to four equivalent B atoms. All Mn–B bond lengths are 2.17 Å. B is bonded in a 10-coordinate geometry to eight equivalent Mn and two equivalent B atoms. Both B–B bond lengths are 2.05 Å.
MnB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mn is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing MnB12 cuboctahedra. All Mn–B bond lengths are 2.27 Å. B is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent B atoms. All B–B bond lengths are 1.73 Å.
MnB crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Mn3+ is bonded to five equivalent B3- atoms to form a mixture of distorted corner and edge-sharing MnB5 trigonal bipyramids. There are a spread of Mn–B bond distances ranging from 2.03–2.11 Å. B3- is bonded in a 6-coordinate geometry to five equivalent Mn3+ and one B3- atom. The B–B bond length is 1.70 Å.
MnB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of Mn–B bond distances ranging from 2.16–2.23 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent Mn3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å.
MnB4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Mn–B bond distances ranging from 2.00–2.31 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to three equivalent Mn and four B atoms. There are a spread of B–B bond distances ranging from 1.69–1.85 Å. In the second B site, B is bonded in a 7-coordinate geometry to three equivalent Mn and four B atoms. There are a spread of B–B bond distances ranging from 1.73–1.89 Å. In the third B site, B is bonded in a 8-coordinate geometry to three equivalent Mn and five B atoms. The B–B bond length is 2.08 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to three equivalent Mn and five B atoms.