Sr4CaHoCu6(PbO4)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one O(8), two equivalent O(1), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(3) atoms. Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. Ho(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(7) atom to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(6) atoms. In the third Cu site, Cu(3) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded in a linear geometry to two equivalent O(8) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one O(8) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(1), and one Pb(2) atom to form distorted OSr4CuPb octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with four equivalent O(1)Sr4CuPb octahedra, edges with four equivalent O(3)Sr4CuPb octahedra,  a faceface with one O(2)Sr2CaHoCu2 octahedra,  a faceface with one O(4)Sr2CaHoCu2 octahedra,  a faceface with one O(5)Sr2CaHoCu2 octahedra, and  a faceface with one O(7)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 21-52°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ho(1), one Cu(1), and one Cu(3) atom to form distorted OSr2CaHoCu2 octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, edges with three equivalent O(5)Sr2CaHoCu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(3)Sr4CuPb octahedra, faces with two equivalent O(4)Sr2CaHoCu2 octahedra, and faces with two equivalent O(7)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(3), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with four equivalent O(3)Sr4CuPb octahedra, edges with four equivalent O(1)Sr4CuPb octahedra,  a faceface with one O(2)Sr2CaHoCu2 octahedra,  a faceface with one O(4)Sr2CaHoCu2 octahedra,  a faceface with one O(5)Sr2CaHoCu2 octahedra, and  a faceface with one O(7)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 21-53°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ho(1), one Cu(1), and one Cu(3) atom to form distorted OSr2CaHoCu2 octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, edges with three equivalent O(7)Sr2CaHoCu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(3)Sr4CuPb octahedra, faces with two equivalent O(2)Sr2CaHoCu2 octahedra, and faces with two equivalent O(5)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ho(1), one Cu(1), and one Cu(3) atom to form distorted OSr2CaHoCu2 octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, edges with three equivalent O(2)Sr2CaHoCu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(3)Sr4CuPb octahedra, faces with two equivalent O(4)Sr2CaHoCu2 octahedra, and faces with two equivalent O(7)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Cu(2), one Pb(1), and one Pb(2) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ho(1), one Cu(1), and one Cu(3) atom to form distorted OSr2CaHoCu2 octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, edges with three equivalent O(4)Sr2CaHoCu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(3)Sr4CuPb octahedra, faces with two equivalent O(2)Sr2CaHoCu2 octahedra, and faces with two equivalent O(5)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(1), one Cu(4), one Pb(1), and one Pb(2) atom.
Sr4CaHoCu6(PbO4)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one O(8), two equivalent O(1), and two equivalent O(3) atoms. The Sr(1)-O(2) bond length is 2.79 Å. The Sr(1)-O(4) bond length is 2.77 Å. The Sr(1)-O(5) bond length is 2.79 Å. The Sr(1)-O(7) bond length is 2.79 Å. The Sr(1)-O(8) bond length is 2.72 Å. There is one shorter (2.76 Å) and one longer (2.77 Å) Sr(1)-O(1) bond length. There is one shorter (2.76 Å) and one longer (2.79 Å) Sr(1)-O(3) bond length. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(3) atoms. The Sr(2)-O(2) bond length is 2.73 Å. The Sr(2)-O(4) bond length is 2.74 Å. The Sr(2)-O(5) bond length is 2.75 Å. The Sr(2)-O(6) bond length is 2.67 Å. The Sr(2)-O(7) bond length is 2.74 Å. There is one shorter (2.75 Å) and one longer (2.80 Å) Sr(2)-O(1) bond length. Both Sr(2)-O(3) bond lengths are 2.76 Å. Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. Both Ca(1)-O(2) bond lengths are 2.47 Å. Both Ca(1)-O(4) bond lengths are 2.48 Å. Both Ca(1)-O(5) bond lengths are 2.48 Å. Both Ca(1)-O(7) bond lengths are 2.47 Å. Ho(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. Both Ho(1)-O(2) bond lengths are 2.42 Å. Both Ho(1)-O(4) bond lengths are 2.41 Å. Both Ho(1)-O(5) bond lengths are 2.40 Å. Both Ho(1)-O(7) bond lengths are 2.41 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(7) atom to form corner-sharing CuO5 square pyramids. The Cu(1)-O(1) bond length is 2.34 Å. The Cu(1)-O(2) bond length is 1.93 Å. The Cu(1)-O(4) bond length is 1.93 Å. The Cu(1)-O(5) bond length is 1.93 Å. The Cu(1)-O(7) bond length is 1.93 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(6) atoms. Both Cu(2)-O(6) bond lengths are 1.86 Å. In the third Cu site, Cu(3) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing CuO5 square pyramids. The Cu(3)-O(2) bond length is 1.93 Å. The Cu(3)-O(3) bond length is 2.33 Å. The Cu(3)-O(4) bond length is 1.93 Å. The Cu(3)-O(5) bond length is 1.93 Å. The Cu(3)-O(7) bond length is 1.93 Å. In the fourth Cu site, Cu(4) is bonded in a linear geometry to two equivalent O(8) atoms. Both Cu(4)-O(8) bond lengths are 1.87 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(3), one O(6), and one O(8) atom. The Pb(1)-O(3) bond length is 2.18 Å. The Pb(1)-O(6) bond length is 2.44 Å. The Pb(1)-O(8) bond length is 2.36 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one O(8) atom. The Pb(2)-O(1) bond length is 2.18 Å. The Pb(2)-O(6) bond length is 2.40 Å. The Pb(2)-O(8) bond length is 2.41 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(1), and one Pb(2) atom to form distorted OSr4CuPb octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with four equivalent O(1)Sr4CuPb octahedra, edges with four equivalent O(3)Sr4CuPb octahedra,  a faceface with one O(2)Sr2CaHoCu2 octahedra,  a faceface with one O(4)Sr2CaHoCu2 octahedra,  a faceface with one O(5)Sr2CaHoCu2 octahedra, and  a faceface with one O(7)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 21-52°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ho(1), one Cu(1), and one Cu(3) atom to form distorted OSr2CaHoCu2 octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, edges with three equivalent O(5)Sr2CaHoCu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(3)Sr4CuPb octahedra, faces with two equivalent O(4)Sr2CaHoCu2 octahedra, and faces with two equivalent O(7)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(3), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with four equivalent O(3)Sr4CuPb octahedra, edges with four equivalent O(1)Sr4CuPb octahedra,  a faceface with one O(2)Sr2CaHoCu2 octahedra,  a faceface with one O(4)Sr2CaHoCu2 octahedra,  a faceface with one O(5)Sr2CaHoCu2 octahedra, and  a faceface with one O(7)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 21-53°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ho(1), one Cu(1), and one Cu(3) atom to form distorted OSr2CaHoCu2 octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, edges with three equivalent O(7)Sr2CaHoCu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(3)Sr4CuPb octahedra, faces with two equivalent O(2)Sr2CaHoCu2 octahedra, and faces with two equivalent O(5)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ho(1), one Cu(1), and one Cu(3) atom to form distorted OSr2CaHoCu2 octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, edges with three equivalent O(2)Sr2CaHoCu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(3)Sr4CuPb octahedra, faces with two equivalent O(4)Sr2CaHoCu2 octahedra, and faces with two equivalent O(7)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Cu(2), one Pb(1), and one Pb(2) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ho(1), one Cu(1), and one Cu(3) atom to form distorted OSr2CaHoCu2 octahedra that share corners with two equivalent O(2)Sr2CaHoCu2 octahedra, corners with two equivalent O(4)Sr2CaHoCu2 octahedra, corners with two equivalent O(5)Sr2CaHoCu2 octahedra, corners with two equivalent O(7)Sr2CaHoCu2 octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, edges with three equivalent O(4)Sr2CaHoCu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(3)Sr4CuPb octahedra, faces with two equivalent O(2)Sr2CaHoCu2 octahedra, and faces with two equivalent O(5)Sr2CaHoCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(1), one Cu(4), one Pb(1), and one Pb(2) atom.