Materials Data on BPS4 by Materials Project
BPS4 is Silicon Disuphide-derived structured and crystallizes in the orthorhombic I222 space group. The structure is one-dimensional and consists of two BPS4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded to four equivalent S2- atoms to form BS4 tetrahedra that share edges with two equivalent PS4 tetrahedra. All B–S bond lengths are 1.94 Å. P5+ is bonded to four equivalent S2- atoms to form distorted PS4 tetrahedra that share edges with two equivalent BS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in an L-shaped geometry to one B3+ and one P5+ atom.
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