Ca2Pt7AlP3 crystallizes in the tetragonal I-4m2 space group. Ca(1) is bonded in a 15-coordinate geometry to two equivalent Pt(1), two equivalent Pt(2), five equivalent Pt(3), two equivalent P(2), and four equivalent P(1) atoms. There are four inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Pt(4), four equivalent Pt(2), two equivalent Al(1), and two equivalent P(1) atoms. In the second Pt site, Pt(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Pt(4), four equivalent Pt(1), two equivalent Al(1), and two equivalent P(1) atoms. In the third Pt site, Pt(3) is bonded in a 7-coordinate geometry to five equivalent Ca(1), one P(1), and two equivalent P(2) atoms. In the fourth Pt site, Pt(4) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Al(1) atoms to form distorted PtAl4Pt8 cuboctahedra that share corners with four equivalent Pt(4)Al4Pt8 cuboctahedra, faces with four equivalent Pt(4)Al4Pt8 cuboctahedra, and faces with four equivalent Al(1)Pt12 cuboctahedra. Al(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(4) atoms to form AlPt12 cuboctahedra that share corners with four equivalent Al(1)Pt12 cuboctahedra, faces with four equivalent Pt(4)Al4Pt8 cuboctahedra, and faces with four equivalent Al(1)Pt12 cuboctahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the second P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the third P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Pt(3) atoms. In the fourth P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms.
Ca2Pt7AlP3 crystallizes in the tetragonal I-4m2 space group. Ca(1) is bonded in a 15-coordinate geometry to two equivalent Pt(1), two equivalent Pt(2), five equivalent Pt(3), two equivalent P(2), and four equivalent P(1) atoms. Both Ca(1)-Pt(1) bond lengths are 3.26 Å. Both Ca(1)-Pt(2) bond lengths are 3.22 Å. There are four shorter (3.04 Å) and one longer (3.45 Å) Ca(1)-Pt(3) bond length. Both Ca(1)-P(2) bond lengths are 3.03 Å. All Ca(1)-P(1) bond lengths are 3.08 Å. There are four inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Pt(4), four equivalent Pt(2), two equivalent Al(1), and two equivalent P(1) atoms. Both Pt(1)-Pt(4) bond lengths are 2.78 Å. All Pt(1)-Pt(2) bond lengths are 2.84 Å. Both Pt(1)-Al(1) bond lengths are 2.78 Å. Both Pt(1)-P(1) bond lengths are 2.43 Å. In the second Pt site, Pt(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Pt(4), four equivalent Pt(1), two equivalent Al(1), and two equivalent P(1) atoms. Both Pt(2)-Pt(4) bond lengths are 2.81 Å. Both Pt(2)-Al(1) bond lengths are 2.81 Å. Both Pt(2)-P(1) bond lengths are 2.40 Å. In the third Pt site, Pt(3) is bonded in a 7-coordinate geometry to five equivalent Ca(1), one P(1), and two equivalent P(2) atoms. The Pt(3)-P(1) bond length is 2.28 Å. Both Pt(3)-P(2) bond lengths are 2.33 Å. In the fourth Pt site, Pt(4) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Al(1) atoms to form distorted PtAl4Pt8 cuboctahedra that share corners with four equivalent Pt(4)Al4Pt8 cuboctahedra, faces with four equivalent Pt(4)Al4Pt8 cuboctahedra, and faces with four equivalent Al(1)Pt12 cuboctahedra. All Pt(4)-Al(1) bond lengths are 2.83 Å. Al(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(4) atoms to form AlPt12 cuboctahedra that share corners with four equivalent Al(1)Pt12 cuboctahedra, faces with four equivalent Pt(4)Al4Pt8 cuboctahedra, and faces with four equivalent Al(1)Pt12 cuboctahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. All P(1)-Ca(1) bond lengths are 3.08 Å. In the second P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. The P(1)-Pt(3) bond length is 2.28 Å. Both P(1)-Pt(1) bond lengths are 2.43 Å. Both P(1)-Pt(2) bond lengths are 2.40 Å. In the third P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Pt(3) atoms. In the fourth P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. All P(1)-Ca(1) bond lengths are 3.08 Å. The P(1)-Pt(3) bond length is 2.28 Å. Both P(1)-Pt(1) bond lengths are 2.43 Å. Both P(1)-Pt(2) bond lengths are 2.40 Å.