Mg23La6P crystallizes in the cubic Fm-3m space group. There are four inequivalent Mg sites. In the first Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(4), three equivalent Mg(1), three equivalent Mg(3), and three equivalent La(1) atoms. In the second Mg site, Mg(3) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent La(1) atoms to form MgLa4Mg8 cuboctahedra that share corners with four equivalent Mg(3)La4Mg8 cuboctahedra, edges with two equivalent P(1)La6 octahedra, and faces with eight equivalent Mg(3)La4Mg8 cuboctahedra. In the third Mg site, Mg(4) is bonded in a body-centered cubic geometry to eight equivalent Mg(2) atoms. In the fourth Mg site, Mg(1) is bonded in a distorted q6 geometry to three equivalent Mg(1), three equivalent Mg(2), three equivalent Mg(3), and three equivalent La(1) atoms. La(1) is bonded in a single-bond geometry to four equivalent Mg(1), four equivalent Mg(2), four equivalent Mg(3), and one P(1) atom. P(1) is bonded to six equivalent La(1) atoms to form PLa6 octahedra that share edges with twelve equivalent Mg(3)La4Mg8 cuboctahedra.
Mg23La6P crystallizes in the cubic Fm-3m space group. There are four inequivalent Mg sites. In the first Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(4), three equivalent Mg(1), three equivalent Mg(3), and three equivalent La(1) atoms. The Mg(2)-Mg(4) bond length is 3.06 Å. All Mg(2)-Mg(1) bond lengths are 3.20 Å. All Mg(2)-Mg(3) bond lengths are 3.20 Å. All Mg(2)-La(1) bond lengths are 3.59 Å. In the second Mg site, Mg(3) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent La(1) atoms to form MgLa4Mg8 cuboctahedra that share corners with four equivalent Mg(3)La4Mg8 cuboctahedra, edges with two equivalent P(1)La6 octahedra, and faces with eight equivalent Mg(3)La4Mg8 cuboctahedra. All Mg(3)-Mg(1) bond lengths are 2.99 Å. All Mg(3)-La(1) bond lengths are 3.72 Å. In the third Mg site, Mg(4) is bonded in a body-centered cubic geometry to eight equivalent Mg(2) atoms. In the fourth Mg site, Mg(1) is bonded in a distorted q6 geometry to three equivalent Mg(1), three equivalent Mg(2), three equivalent Mg(3), and three equivalent La(1) atoms. All Mg(1)-Mg(1) bond lengths are 3.18 Å. All Mg(1)-La(1) bond lengths are 3.60 Å. La(1) is bonded in a single-bond geometry to four equivalent Mg(1), four equivalent Mg(2), four equivalent Mg(3), and one P(1) atom. The La(1)-P(1) bond length is 2.96 Å. P(1) is bonded to six equivalent La(1) atoms to form PLa6 octahedra that share edges with twelve equivalent Mg(3)La4Mg8 cuboctahedra.