CaPtP crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to two equivalent Pt(1), four equivalent Pt(2), two equivalent P(2), and four equivalent P(1) atoms. In the second Ca site, Ca(2) is bonded in a 10-coordinate geometry to two equivalent Pt(2), four equivalent Pt(1), and four equivalent P(2) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one Pt(2), one P(1), and two equivalent P(2) atoms. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one Pt(1), one P(2), and two equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent Ca(1), one Pt(1), and two equivalent Pt(2) atoms to form a mixture of distorted face, corner, and edge-sharing PCa4Pt3 pentagonal bipyramids. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one Pt(2), and two equivalent Pt(1) atoms.
CaPtP crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to two equivalent Pt(1), four equivalent Pt(2), two equivalent P(2), and four equivalent P(1) atoms. Both Ca(1)-Pt(1) bond lengths are 3.26 Å. There are two shorter (3.27 Å) and two longer (3.40 Å) Ca(1)-Pt(2) bond lengths. Both Ca(1)-P(2) bond lengths are 3.15 Å. There are two shorter (2.99 Å) and two longer (3.03 Å) Ca(1)-P(1) bond lengths. In the second Ca site, Ca(2) is bonded in a 10-coordinate geometry to two equivalent Pt(2), four equivalent Pt(1), and four equivalent P(2) atoms. Both Ca(2)-Pt(2) bond lengths are 3.02 Å. There are two shorter (3.05 Å) and two longer (3.23 Å) Ca(2)-Pt(1) bond lengths. There are two shorter (3.01 Å) and two longer (3.02 Å) Ca(2)-P(2) bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one Pt(2), one P(1), and two equivalent P(2) atoms. The Pt(1)-Pt(2) bond length is 2.88 Å. The Pt(1)-P(1) bond length is 2.28 Å. There is one shorter (2.43 Å) and one longer (2.44 Å) Pt(1)-P(2) bond length. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one Pt(1), one P(2), and two equivalent P(1) atoms. The Pt(2)-P(2) bond length is 2.43 Å. There is one shorter (2.28 Å) and one longer (2.29 Å) Pt(2)-P(1) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent Ca(1), one Pt(1), and two equivalent Pt(2) atoms to form a mixture of distorted face, corner, and edge-sharing PCa4Pt3 pentagonal bipyramids. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one Pt(2), and two equivalent Pt(1) atoms.