Materials Data on LaBPt4 by Materials Project
LaPt4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a hexagonal planar geometry to six equivalent Pt atoms. All La–Pt bond lengths are 3.20 Å. In the second La3+ site, La3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt and six equivalent B3- atoms. All La–Pt bond lengths are 3.17 Å. All La–B bond lengths are 3.20 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to three equivalent La3+ and nine Pt atoms. There are six shorter (2.83 Å) and three longer (3.20 Å) Pt–Pt bond lengths. In the second Pt site, Pt is bonded in a distorted L-shaped geometry to two equivalent La3+, two equivalent Pt, and two equivalent B3- atoms. Both Pt–B bond lengths are 2.22 Å. B3- is bonded in a 6-coordinate geometry to three equivalent La3+ and six equivalent Pt atoms.