Materials Data on CaNp by Materials Project
CaNp is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded to six equivalent Ca and six equivalent Np atoms to form CaCa6Np6 cuboctahedra that share corners with twelve CaCa6Np6 cuboctahedra, edges with twelve CaCa6Np6 cuboctahedra, edges with twelve equivalent NpCa6Np6 cuboctahedra, faces with six equivalent CaCa6Np6 cuboctahedra, and faces with twelve equivalent NpCa6Np6 cuboctahedra. All Ca–Ca bond lengths are 3.39 Å. All Ca–Np bond lengths are 3.69 Å. In the second Ca site, Ca is bonded to six equivalent Ca and six Np atoms to form CaCa6Np6 cuboctahedra that share corners with five equivalent NpCa6Np10 cuboctahedra, corners with twelve CaCa6Np6 cuboctahedra, edges with ten NpCa6Np6 cuboctahedra, edges with twelve CaCa6Np6 cuboctahedra, faces with six equivalent CaCa6Np6 cuboctahedra, and faces with fifteen NpCa6Np6 cuboctahedra. All Ca–Ca bond lengths are 3.39 Å. All Ca–Np bond lengths are 3.69 Å. In the third Ca site, Ca is bonded to six equivalent Ca and six Np atoms to form CaCa6Np6 cuboctahedra that share corners with five equivalent NpCa6Np10 cuboctahedra, corners with twelve CaCa6Np6 cuboctahedra, edges with ten NpCa6Np6 cuboctahedra, edges with twelve CaCa6Np6 cuboctahedra, faces with six equivalent CaCa6Np6 cuboctahedra, and faces with fifteen NpCa6Np6 cuboctahedra. All Ca–Ca bond lengths are 3.39 Å. All Ca–Np bond lengths are 3.69 Å. There are two inequivalent Np sites. In the first Np site, Np is bonded to six Ca and six equivalent Np atoms to form NpCa6Np6 cuboctahedra that share corners with twelve NpCa6Np6 cuboctahedra, edges with twelve CaCa6Np6 cuboctahedra, edges with twelve NpCa6Np6 cuboctahedra, faces with six equivalent NpCa6Np6 cuboctahedra, and faces with twelve CaCa6Np6 cuboctahedra. All Np–Np bond lengths are 3.39 Å. In the second Np site, Np is bonded to six Ca and ten equivalent Np atoms to form NpCa6Np10 cuboctahedra that share corners with ten CaCa6Np6 cuboctahedra, corners with twelve NpCa6Np6 cuboctahedra, edges with eight CaCa6Np6 cuboctahedra, edges with sixteen NpCa6Np6 cuboctahedra, faces with sixteen equivalent NpCa6Np10 cuboctahedra, and faces with eighteen CaCa6Np6 cuboctahedra. There are a spread of Np–Np bond distances ranging from 3.39–6.78 Å.