PtSi3P2 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to one Si(2), one Si(3), one Si(4), one Si(6), one P(1), and one P(3) atom to form PtSi4P2 octahedra that share  a cornercorner with one Si(1)P3Pt tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with two equivalent Si(5)P3Pt tetrahedra, corners with two equivalent Si(6)P3Pt tetrahedra, corners with two equivalent Si(3)Si2Pt2 tetrahedra, corners with two equivalent P(1)Si3Pt tetrahedra, corners with two equivalent P(2)Si3Pt tetrahedra, and  an edgeedge with one Pt(2)Si4P2 octahedra. In the second Pt site, Pt(2) is bonded to one Si(1), one Si(2), one Si(3), one Si(5), one P(2), and one P(4) atom to form PtSi4P2 octahedra that share  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one P(1)Si3Pt tetrahedra, corners with two equivalent Si(1)P3Pt tetrahedra, corners with two equivalent Si(2)SiPPt2 tetrahedra, corners with two equivalent P(2)Si3Pt tetrahedra, corners with two equivalent P(3)Si3Pt tetrahedra, corners with two equivalent P(4)Si3Pt tetrahedra, and  an edgeedge with one Pt(1)Si4P2 octahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one Pt(2), one P(2), one P(3), and one P(4) atom to form SiP3Pt tetrahedra that share  a cornercorner with one Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with two equivalent Si(6)P3Pt tetrahedra, corners with two equivalent Si(2)SiPPt2 tetrahedra, and corners with three equivalent Si(5)P3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. In the second Si site, Si(2) is bonded to one Pt(1), one Pt(2), one Si(3), and one P(2) atom to form distorted SiSiPPt2 tetrahedra that share  a cornercorner with one Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one P(1)Si3Pt tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with two equivalent Si(1)P3Pt tetrahedra, and  an edgeedge with one Si(3)Si2Pt2 tetrahedra. The corner-sharing octahedral tilt angles range from 49-68°. In the third Si site, Si(3) is bonded to one Pt(1), one Pt(2), one Si(2), and one Si(4) atom to form distorted SiSi2Pt2 tetrahedra that share  a cornercorner with one Pt(2)Si4P2 octahedra, corners with two equivalent Pt(1)Si4P2 octahedra,  a cornercorner with one Si(1)P3Pt tetrahedra,  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with two equivalent P(1)Si3Pt tetrahedra, corners with three equivalent P(2)Si3Pt tetrahedra, and  an edgeedge with one Si(2)SiPPt2 tetrahedra. The corner-sharing octahedral tilt angles range from 48-68°. In the fourth Si site, Si(4) is bonded in a 4-coordinate geometry to one Pt(1), one Si(3), one P(1), and one P(2) atom. In the fifth Si site, Si(5) is bonded to one Pt(2), one P(1), one P(3), and one P(4) atom to form SiP3Pt tetrahedra that share  a cornercorner with one Pt(2)Si4P2 octahedra, corners with two equivalent Pt(1)Si4P2 octahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with three equivalent Si(1)P3Pt tetrahedra, and corners with three equivalent Si(6)P3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 55-75°. In the sixth Si site, Si(6) is bonded to one Pt(1), one P(1), one P(3), and one P(4) atom to form SiP3Pt tetrahedra that share  a cornercorner with one Pt(2)Si4P2 octahedra, corners with two equivalent Pt(1)Si4P2 octahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(1)Si3Pt tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra, corners with two equivalent Si(1)P3Pt tetrahedra, and corners with three equivalent Si(5)P3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 56-74°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Pt(1), one Si(4), one Si(5), and one Si(6) atom to form distorted PSi3Pt tetrahedra that share  a cornercorner with one Pt(2)Si4P2 octahedra, corners with two equivalent Pt(1)Si4P2 octahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra, corners with two equivalent Si(3)Si2Pt2 tetrahedra, corners with two equivalent P(4)Si3Pt tetrahedra, and corners with three equivalent P(3)Si3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 53-70°. In the second P site, P(2) is bonded to one Pt(2), one Si(1), one Si(2), and one Si(4) atom to form distorted PSi3Pt tetrahedra that share corners with two equivalent Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(1)P3Pt tetrahedra,  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(1)Si3Pt tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra, corners with two equivalent P(4)Si3Pt tetrahedra, and corners with three equivalent Si(3)Si2Pt2 tetrahedra. The corner-sharing octahedral tilt angles range from 60-66°. In the third P site, P(3) is bonded to one Pt(1), one Si(1), one Si(5), and one Si(6) atom to form distorted PSi3Pt tetrahedra that share  a cornercorner with one Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra, corners with three equivalent P(1)Si3Pt tetrahedra, and corners with three equivalent P(4)Si3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 56-74°. In the fourth P site, P(4) is bonded to one Pt(2), one Si(1), one Si(5), and one Si(6) atom to form PSi3Pt tetrahedra that share  a cornercorner with one Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(1)P3Pt tetrahedra,  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra, corners with two equivalent P(1)Si3Pt tetrahedra, corners with two equivalent P(2)Si3Pt tetrahedra, and corners with three equivalent P(3)Si3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 56-72°.
PtSi3P2 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to one Si(2), one Si(3), one Si(4), one Si(6), one P(1), and one P(3) atom to form PtSi4P2 octahedra that share  a cornercorner with one Si(1)P3Pt tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with two equivalent Si(5)P3Pt tetrahedra, corners with two equivalent Si(6)P3Pt tetrahedra, corners with two equivalent Si(3)Si2Pt2 tetrahedra, corners with two equivalent P(1)Si3Pt tetrahedra, corners with two equivalent P(2)Si3Pt tetrahedra, and  an edgeedge with one Pt(2)Si4P2 octahedra. The Pt(1)-Si(2) bond length is 2.43 Å. The Pt(1)-Si(3) bond length is 2.45 Å. The Pt(1)-Si(4) bond length is 2.39 Å. The Pt(1)-Si(6) bond length is 2.40 Å. The Pt(1)-P(1) bond length is 2.45 Å. The Pt(1)-P(3) bond length is 2.51 Å. In the second Pt site, Pt(2) is bonded to one Si(1), one Si(2), one Si(3), one Si(5), one P(2), and one P(4) atom to form PtSi4P2 octahedra that share  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one P(1)Si3Pt tetrahedra, corners with two equivalent Si(1)P3Pt tetrahedra, corners with two equivalent Si(2)SiPPt2 tetrahedra, corners with two equivalent P(2)Si3Pt tetrahedra, corners with two equivalent P(3)Si3Pt tetrahedra, corners with two equivalent P(4)Si3Pt tetrahedra, and  an edgeedge with one Pt(1)Si4P2 octahedra. The Pt(2)-Si(1) bond length is 2.37 Å. The Pt(2)-Si(2) bond length is 2.42 Å. The Pt(2)-Si(3) bond length is 2.46 Å. The Pt(2)-Si(5) bond length is 2.44 Å. The Pt(2)-P(2) bond length is 2.46 Å. The Pt(2)-P(4) bond length is 2.44 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one Pt(2), one P(2), one P(3), and one P(4) atom to form SiP3Pt tetrahedra that share  a cornercorner with one Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with two equivalent Si(6)P3Pt tetrahedra, corners with two equivalent Si(2)SiPPt2 tetrahedra, and corners with three equivalent Si(5)P3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. The Si(1)-P(2) bond length is 2.28 Å. The Si(1)-P(3) bond length is 2.29 Å. The Si(1)-P(4) bond length is 2.25 Å. In the second Si site, Si(2) is bonded to one Pt(1), one Pt(2), one Si(3), and one P(2) atom to form distorted SiSiPPt2 tetrahedra that share  a cornercorner with one Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one P(1)Si3Pt tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with two equivalent Si(1)P3Pt tetrahedra, and  an edgeedge with one Si(3)Si2Pt2 tetrahedra. The corner-sharing octahedral tilt angles range from 49-68°. The Si(2)-Si(3) bond length is 2.36 Å. The Si(2)-P(2) bond length is 2.31 Å. In the third Si site, Si(3) is bonded to one Pt(1), one Pt(2), one Si(2), and one Si(4) atom to form distorted SiSi2Pt2 tetrahedra that share  a cornercorner with one Pt(2)Si4P2 octahedra, corners with two equivalent Pt(1)Si4P2 octahedra,  a cornercorner with one Si(1)P3Pt tetrahedra,  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with two equivalent P(1)Si3Pt tetrahedra, corners with three equivalent P(2)Si3Pt tetrahedra, and  an edgeedge with one Si(2)SiPPt2 tetrahedra. The corner-sharing octahedral tilt angles range from 48-68°. The Si(3)-Si(4) bond length is 2.35 Å. In the fourth Si site, Si(4) is bonded in a 4-coordinate geometry to one Pt(1), one Si(3), one P(1), and one P(2) atom. The Si(4)-P(1) bond length is 2.29 Å. The Si(4)-P(2) bond length is 2.32 Å. In the fifth Si site, Si(5) is bonded to one Pt(2), one P(1), one P(3), and one P(4) atom to form SiP3Pt tetrahedra that share  a cornercorner with one Pt(2)Si4P2 octahedra, corners with two equivalent Pt(1)Si4P2 octahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra,  a cornercorner with one P(4)Si3Pt tetrahedra, corners with three equivalent Si(1)P3Pt tetrahedra, and corners with three equivalent Si(6)P3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 55-75°. The Si(5)-P(1) bond length is 2.29 Å. The Si(5)-P(3) bond length is 2.25 Å. The Si(5)-P(4) bond length is 2.27 Å. In the sixth Si site, Si(6) is bonded to one Pt(1), one P(1), one P(3), and one P(4) atom to form SiP3Pt tetrahedra that share  a cornercorner with one Pt(2)Si4P2 octahedra, corners with two equivalent Pt(1)Si4P2 octahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(1)Si3Pt tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra, corners with two equivalent Si(1)P3Pt tetrahedra, and corners with three equivalent Si(5)P3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 56-74°. The Si(6)-P(1) bond length is 2.24 Å. The Si(6)-P(3) bond length is 2.27 Å. The Si(6)-P(4) bond length is 2.24 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Pt(1), one Si(4), one Si(5), and one Si(6) atom to form distorted PSi3Pt tetrahedra that share  a cornercorner with one Pt(2)Si4P2 octahedra, corners with two equivalent Pt(1)Si4P2 octahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra, corners with two equivalent Si(3)Si2Pt2 tetrahedra, corners with two equivalent P(4)Si3Pt tetrahedra, and corners with three equivalent P(3)Si3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 53-70°. In the second P site, P(2) is bonded to one Pt(2), one Si(1), one Si(2), and one Si(4) atom to form distorted PSi3Pt tetrahedra that share corners with two equivalent Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(1)P3Pt tetrahedra,  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(1)Si3Pt tetrahedra,  a cornercorner with one P(3)Si3Pt tetrahedra, corners with two equivalent P(4)Si3Pt tetrahedra, and corners with three equivalent Si(3)Si2Pt2 tetrahedra. The corner-sharing octahedral tilt angles range from 60-66°. In the third P site, P(3) is bonded to one Pt(1), one Si(1), one Si(5), and one Si(6) atom to form distorted PSi3Pt tetrahedra that share  a cornercorner with one Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(6)P3Pt tetrahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra,  a cornercorner with one P(2)Si3Pt tetrahedra, corners with three equivalent P(1)Si3Pt tetrahedra, and corners with three equivalent P(4)Si3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 56-74°. In the fourth P site, P(4) is bonded to one Pt(2), one Si(1), one Si(5), and one Si(6) atom to form PSi3Pt tetrahedra that share  a cornercorner with one Pt(1)Si4P2 octahedra, corners with two equivalent Pt(2)Si4P2 octahedra,  a cornercorner with one Si(1)P3Pt tetrahedra,  a cornercorner with one Si(5)P3Pt tetrahedra,  a cornercorner with one Si(3)Si2Pt2 tetrahedra,  a cornercorner with one Si(2)SiPPt2 tetrahedra, corners with two equivalent P(1)Si3Pt tetrahedra, corners with two equivalent P(2)Si3Pt tetrahedra, and corners with three equivalent P(3)Si3Pt tetrahedra. The corner-sharing octahedral tilt angles range from 56-72°.