CaP is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one P(2) atom. In the second P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one P(1) atom.
CaP is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. Both Ca(1)-P(2) bond lengths are 2.95 Å. All Ca(1)-P(1) bond lengths are 3.00 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. Both Ca(2)-P(2) bond lengths are 2.93 Å. All Ca(2)-P(1) bond lengths are 2.89 Å. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one P(2) atom. The P(2)-P(2) bond length is 2.23 Å. In the second P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one P(1) atom. The P(1)-P(1) bond length is 2.29 Å.