Ca is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to six equivalent Ca(1) and six equivalent Ca(2) atoms to form a mixture of face, corner, and edge-sharing CaCa12 cuboctahedra. In the second Ca site, Ca(2) is bonded to six equivalent Ca(1) and six equivalent Ca(2) atoms to form a mixture of face, corner, and edge-sharing CaCa12 cuboctahedra.
Ca is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to six equivalent Ca(1) and six equivalent Ca(2) atoms to form a mixture of face, corner, and edge-sharing CaCa12 cuboctahedra. All Ca(1)-Ca(1) bond lengths are 3.96 Å. All Ca(1)-Ca(2) bond lengths are 3.95 Å. In the second Ca site, Ca(2) is bonded to six equivalent Ca(1) and six equivalent Ca(2) atoms to form a mixture of face, corner, and edge-sharing CaCa12 cuboctahedra. All Ca(2)-Ca(2) bond lengths are 3.96 Å.