VCr(P2O7)2 crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(2), one O(24), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(23), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(18), one O(19), one O(22), one O(25), one O(28), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(17), one O(20), one O(21), one O(26), one O(27), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(19), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the second P site, P(2) is bonded to one O(14), one O(20), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the third P site, P(3) is bonded to one O(15), one O(17), one O(27), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-50°. In the fourth P site, P(4) is bonded to one O(16), one O(18), one O(28), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. In the fifth P site, P(5) is bonded to one O(1), one O(11), one O(13), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-44°. In the sixth P site, P(6) is bonded to one O(12), one O(14), one O(2), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-44°. In the seventh P site, P(7) is bonded to one O(15), one O(21), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-48°. In the eighth P site, P(8) is bonded to one O(10), one O(16), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-48°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(7) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(8) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(3) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(4) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one V(2) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(1) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) atom.
VCr(P2O7)2 crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(2), one O(24), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. The V(1)-O(10) bond length is 1.92 Å. The V(1)-O(12) bond length is 1.91 Å. The V(1)-O(2) bond length is 1.92 Å. The V(1)-O(24) bond length is 1.90 Å. The V(1)-O(4) bond length is 1.86 Å. The V(1)-O(8) bond length is 1.85 Å. In the second V site, V(2) is bonded to one O(1), one O(11), one O(23), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. The V(2)-O(1) bond length is 1.92 Å. The V(2)-O(11) bond length is 1.91 Å. The V(2)-O(23) bond length is 1.90 Å. The V(2)-O(3) bond length is 1.86 Å. The V(2)-O(7) bond length is 1.85 Å. The V(2)-O(9) bond length is 1.92 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(18), one O(19), one O(22), one O(25), one O(28), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Cr(1)-O(18) bond length is 2.01 Å. The Cr(1)-O(19) bond length is 2.00 Å. The Cr(1)-O(22) bond length is 2.01 Å. The Cr(1)-O(25) bond length is 2.00 Å. The Cr(1)-O(28) bond length is 2.02 Å. The Cr(1)-O(5) bond length is 2.00 Å. In the second Cr site, Cr(2) is bonded to one O(17), one O(20), one O(21), one O(26), one O(27), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Cr(2)-O(17) bond length is 2.01 Å. The Cr(2)-O(20) bond length is 2.00 Å. The Cr(2)-O(21) bond length is 2.01 Å. The Cr(2)-O(26) bond length is 2.01 Å. The Cr(2)-O(27) bond length is 2.02 Å. The Cr(2)-O(6) bond length is 2.00 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(19), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. The P(1)-O(13) bond length is 1.62 Å. The P(1)-O(19) bond length is 1.51 Å. The P(1)-O(5) bond length is 1.50 Å. The P(1)-O(7) bond length is 1.58 Å. In the second P site, P(2) is bonded to one O(14), one O(20), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. The P(2)-O(14) bond length is 1.62 Å. The P(2)-O(20) bond length is 1.51 Å. The P(2)-O(6) bond length is 1.50 Å. The P(2)-O(8) bond length is 1.58 Å. In the third P site, P(3) is bonded to one O(15), one O(17), one O(27), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-50°. The P(3)-O(15) bond length is 1.64 Å. The P(3)-O(17) bond length is 1.51 Å. The P(3)-O(27) bond length is 1.51 Å. The P(3)-O(3) bond length is 1.57 Å. In the fourth P site, P(4) is bonded to one O(16), one O(18), one O(28), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-50°. The P(4)-O(16) bond length is 1.64 Å. The P(4)-O(18) bond length is 1.51 Å. The P(4)-O(28) bond length is 1.51 Å. The P(4)-O(4) bond length is 1.57 Å. In the fifth P site, P(5) is bonded to one O(1), one O(11), one O(13), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-44°. The P(5)-O(1) bond length is 1.54 Å. The P(5)-O(11) bond length is 1.56 Å. The P(5)-O(13) bond length is 1.60 Å. The P(5)-O(25) bond length is 1.49 Å. In the sixth P site, P(6) is bonded to one O(12), one O(14), one O(2), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-44°. The P(6)-O(12) bond length is 1.56 Å. The P(6)-O(14) bond length is 1.60 Å. The P(6)-O(2) bond length is 1.54 Å. The P(6)-O(26) bond length is 1.49 Å. In the seventh P site, P(7) is bonded to one O(15), one O(21), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-48°. The P(7)-O(15) bond length is 1.60 Å. The P(7)-O(21) bond length is 1.51 Å. The P(7)-O(23) bond length is 1.54 Å. The P(7)-O(9) bond length is 1.55 Å. In the eighth P site, P(8) is bonded to one O(10), one O(16), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-48°. The P(8)-O(10) bond length is 1.55 Å. The P(8)-O(16) bond length is 1.60 Å. The P(8)-O(22) bond length is 1.51 Å. The P(8)-O(24) bond length is 1.54 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(7) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(8) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(3) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(4) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(2) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one V(2) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(1) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) atom.