Ca4Fe3PtAs8 is Parent of FeAs superconductors-like structured and crystallizes in the tetragonal P-4m2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Pt(1), two equivalent As(1), two equivalent As(2), and four equivalent As(4) atoms. In the second Ca site, Ca(2) is bonded to two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted CaAs8 cuboctahedra that share corners with four equivalent Ca(2)As8 cuboctahedra; corners with eight equivalent Fe(1,3)As4 tetrahedra; edges with four equivalent Fe(1,3)As4 tetrahedra; and faces with four equivalent Ca(2)As8 cuboctahedra. In the third Ca site, Ca(2) is bonded to two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted CaAs8 cuboctahedra that share corners with four equivalent Ca(2)As8 cuboctahedra; corners with eight equivalent Fe(1,3)As4 tetrahedra; edges with four equivalent Fe(1,3)As4 tetrahedra; and faces with four equivalent Ca(2)As8 cuboctahedra. In the fourth Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Pt(1), two equivalent As(1), two equivalent As(2), and four equivalent As(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1,3) is bonded to four equivalent As(3) atoms to form FeAs4 tetrahedra that share corners with eight Ca(2,2)As8 cuboctahedra; corners with four equivalent Fe(1,3)As4 tetrahedra; edges with four Ca(2,2)As8 cuboctahedra; and edges with four equivalent Fe(1,3)As4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to four Ca(1,1); four equivalent Pt(1); and four equivalent As(4) atoms. Pt(1) is bonded to four Ca(1,1); four equivalent Fe(2); and four equivalent As(4) atoms to form a mixture of distorted corner and face-sharing PtCa4Fe4As4 cuboctahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent As(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent As(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Fe(1,3) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to four equivalent Ca(1), two equivalent Fe(2), and two equivalent Pt(1) atoms.
Ca4Fe3PtAs8 is Parent of FeAs superconductors-like structured and crystallizes in the tetragonal P-4m2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Pt(1), two equivalent As(1), two equivalent As(2), and four equivalent As(4) atoms. Both Ca(1)-Fe(2) bond lengths are 3.38 Å. Both Ca(1)-Pt(1) bond lengths are 3.38 Å. Both Ca(1)-As(1) bond lengths are 3.05 Å. Both Ca(1)-As(2) bond lengths are 3.07 Å. All Ca(1)-As(4) bond lengths are 3.07 Å. In the second Ca site, Ca(2) is bonded to two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted CaAs8 cuboctahedra that share corners with four equivalent Ca(2)As8 cuboctahedra; corners with eight equivalent Fe(1,3)As4 tetrahedra; edges with four equivalent Fe(1,3)As4 tetrahedra; and faces with four equivalent Ca(2)As8 cuboctahedra. Both Ca(2)-As(1) bond lengths are 3.10 Å. Both Ca(2)-As(2) bond lengths are 3.08 Å. All Ca(2)-As(3) bond lengths are 3.12 Å. In the third Ca site, Ca(2) is bonded to two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted CaAs8 cuboctahedra that share corners with four equivalent Ca(2)As8 cuboctahedra; corners with eight equivalent Fe(1,3)As4 tetrahedra; edges with four equivalent Fe(1,3)As4 tetrahedra; and faces with four equivalent Ca(2)As8 cuboctahedra. Both Ca(2)-As(1) bond lengths are 3.10 Å. Both Ca(2)-As(2) bond lengths are 3.08 Å. All Ca(2)-As(3) bond lengths are 3.12 Å. In the fourth Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Pt(1), two equivalent As(1), two equivalent As(2), and four equivalent As(4) atoms. Both Ca(1)-Fe(2) bond lengths are 3.38 Å. Both Ca(1)-Pt(1) bond lengths are 3.38 Å. Both Ca(1)-As(1) bond lengths are 3.05 Å. Both Ca(1)-As(2) bond lengths are 3.07 Å. All Ca(1)-As(4) bond lengths are 3.07 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1,3) is bonded to four equivalent As(3) atoms to form FeAs4 tetrahedra that share corners with eight Ca(2,2)As8 cuboctahedra; corners with four equivalent Fe(1,3)As4 tetrahedra; edges with four Ca(2,2)As8 cuboctahedra; and edges with four equivalent Fe(1,3)As4 tetrahedra. All Fe(1,3)-As(3) bond lengths are 2.34 Å. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to four Ca(1,1); four equivalent Pt(1); and four equivalent As(4) atoms. All Fe(2)-Pt(1) bond lengths are 2.78 Å. All Fe(2)-As(4) bond lengths are 2.46 Å. Pt(1) is bonded to four Ca(1,1); four equivalent Fe(2); and four equivalent As(4) atoms to form a mixture of distorted corner and face-sharing PtCa4Fe4As4 cuboctahedra. All Pt(1)-As(4) bond lengths are 2.46 Å. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent As(2) atoms. All As(1)-As(2) bond lengths are 2.78 Å. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent As(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Fe(1,3) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to four equivalent Ca(1), two equivalent Fe(2), and two equivalent Pt(1) atoms.