Materials Data on Yb9Mn4Bi9 by Materials Project

Yb9Mn4Bi9 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to two equivalent Mn and six Bi atoms. Both Yb–Mn bond lengths are 3.57 Å. There are two shorter (3.31 Å) and four longer (3.39 Å) Yb–Bi bond lengths. In the second Yb site, Yb is bonded in a 5-coordinate geometry to four Mn and six Bi atoms. There are two shorter (3.30 Å) and two longer (3.59 Å) Yb–Mn bond lengths. There are a spread of Yb–Bi bond distances ranging from 3.23–3.75 Å. In the third Yb site, Yb is bonded in a 8-coordinate geometry to two equivalent Mn and six Bi atoms. Both Yb–Mn bond lengths are 3.24 Å. There are a spread of Yb–Bi bond distances ranging from 3.22–3.66 Å. In the fourth Yb site, Yb is bonded to six Bi atoms to form a mixture of distorted edge and corner-sharing YbBi6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Yb–Bi bond distances ranging from 3.24–3.42 Å. In the fifth Yb site, Yb is bonded in a 7-coordinate geometry to one Mn and six Bi atoms. The Yb–Mn bond length is 3.28 Å. There are a spread of Yb–Bi bond distances ranging from 3.23–3.48 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to six Yb and four Bi atoms. There are a spread of Mn–Bi bond distances ranging from 2.80–2.96 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent Yb and four Bi atoms. There are a spread of Mn–Bi bond distances ranging from 2.81–2.95 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to six Yb and two equivalent Mn atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to six Yb and one Mn atom. In the third Bi site, Bi is bonded in a 8-coordinate geometry to six Yb and two Mn atoms. In the fourth Bi site, Bi is bonded in a body-centered cubic geometry to six Yb and two equivalent Mn atoms. In the fifth Bi site, Bi is bonded in a 7-coordinate geometry to six Yb and two equivalent Mn atoms.