LiPt3B crystallizes in the hexagonal P-62m space group. Li(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Pt(2), and eight equivalent Pt(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 2-coordinate geometry to four equivalent Li(1) and two equivalent B(2) atoms. In the second Pt site, Pt(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to six equivalent Pt(2) atoms to form distorted face-sharing BPt6 pentagonal pyramids. In the second B site, B(2) is bonded to six equivalent Pt(1) atoms to form distorted face-sharing BPt6 pentagonal pyramids.
LiPt3B crystallizes in the hexagonal P-62m space group. Li(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Pt(2), and eight equivalent Pt(1) atoms. Both Li(1)-Li(1) bond lengths are 2.78 Å. Both Li(1)-Pt(2) bond lengths are 2.92 Å. There are four shorter (2.91 Å) and four longer (2.94 Å) Li(1)-Pt(1) bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 2-coordinate geometry to four equivalent Li(1) and two equivalent B(2) atoms. Both Pt(1)-B(2) bond lengths are 2.14 Å. In the second Pt site, Pt(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent B(1) atoms. Both Pt(2)-B(1) bond lengths are 2.15 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded to six equivalent Pt(2) atoms to form distorted face-sharing BPt6 pentagonal pyramids. In the second B site, B(2) is bonded to six equivalent Pt(1) atoms to form distorted face-sharing BPt6 pentagonal pyramids.