Ca8In3 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one In(2), one In(4), and one In(6) atom. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one In(1), one In(3), one In(4), and one In(6) atom. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(4), and one In(5) atom. In the fourth Ca site, Ca(4) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(4), and one In(6) atom. In the fifth Ca site, Ca(5) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one In(5) atom. In the sixth Ca site, Ca(6) is bonded in a 3-coordinate geometry to one In(3), one In(4), and one In(6) atom. In the seventh Ca site, Ca(7) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(4), and one In(5) atom. In the eighth Ca site, Ca(8) is bonded in a 4-coordinate geometry to one In(1), one In(4), one In(5), and one In(6) atom. In the ninth Ca site, Ca(9) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(5), and one In(6) atom. In the tenth Ca site, Ca(10) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(3), and one In(6) atom. In the eleventh Ca site, Ca(11) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(3), and one In(4) atom. In the twelfth Ca site, Ca(12) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one In(5) atom. In the thirteenth Ca site, Ca(13) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(2), and one In(4) atom. In the fourteenth Ca site, Ca(14) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(2), and one In(6) atom. In the fifteenth Ca site, Ca(15) is bonded in a 4-coordinate geometry to one In(1), one In(4), one In(5), and one In(6) atom. In the sixteenth Ca site, Ca(16) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(5), and one In(6) atom. There are six inequivalent In sites. In the first In site, In(1) is bonded in a distorted q6 geometry to one Ca(10), one Ca(11), one Ca(12), one Ca(13), one Ca(14), one Ca(15), one Ca(2), one Ca(4), one Ca(5), and one Ca(8) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(12), one Ca(13), one Ca(14), one Ca(16), one Ca(3), one Ca(4), one Ca(5), one Ca(7), and one Ca(9) atom. In the third In site, In(3) is bonded in a 10-coordinate geometry to one Ca(10), one Ca(11), one Ca(12), one Ca(16), one Ca(2), one Ca(3), one Ca(5), one Ca(6), one Ca(7), and one Ca(9) atom. In the fourth In site, In(4) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(11), one Ca(13), one Ca(15), one Ca(2), one Ca(3), one Ca(4), one Ca(6), one Ca(7), and one Ca(8) atom. In the fifth In site, In(5) is bonded in a body-centered cubic geometry to one Ca(12), one Ca(15), one Ca(16), one Ca(3), one Ca(5), one Ca(7), one Ca(8), and one Ca(9) atom. In the sixth In site, In(6) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(10), one Ca(14), one Ca(15), one Ca(16), one Ca(2), one Ca(4), one Ca(6), one Ca(8), and one Ca(9) atom.
Ca8In3 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one In(2), one In(4), and one In(6) atom. The Ca(1)-In(2) bond length is 3.70 Å. The Ca(1)-In(4) bond length is 3.40 Å. The Ca(1)-In(6) bond length is 3.37 Å. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one In(1), one In(3), one In(4), and one In(6) atom. The Ca(2)-In(1) bond length is 3.56 Å. The Ca(2)-In(3) bond length is 3.44 Å. The Ca(2)-In(4) bond length is 3.56 Å. The Ca(2)-In(6) bond length is 3.30 Å. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(4), and one In(5) atom. The Ca(3)-In(2) bond length is 3.27 Å. The Ca(3)-In(3) bond length is 3.63 Å. The Ca(3)-In(4) bond length is 3.58 Å. The Ca(3)-In(5) bond length is 3.24 Å. In the fourth Ca site, Ca(4) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(4), and one In(6) atom. The Ca(4)-In(1) bond length is 3.55 Å. The Ca(4)-In(2) bond length is 3.44 Å. The Ca(4)-In(4) bond length is 3.30 Å. The Ca(4)-In(6) bond length is 3.57 Å. In the fifth Ca site, Ca(5) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one In(5) atom. The Ca(5)-In(1) bond length is 3.58 Å. The Ca(5)-In(2) bond length is 3.25 Å. The Ca(5)-In(3) bond length is 3.70 Å. The Ca(5)-In(5) bond length is 3.25 Å. In the sixth Ca site, Ca(6) is bonded in a 3-coordinate geometry to one In(3), one In(4), and one In(6) atom. The Ca(6)-In(3) bond length is 3.70 Å. The Ca(6)-In(4) bond length is 3.37 Å. The Ca(6)-In(6) bond length is 3.40 Å. In the seventh Ca site, Ca(7) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(4), and one In(5) atom. The Ca(7)-In(2) bond length is 3.64 Å. The Ca(7)-In(3) bond length is 3.19 Å. The Ca(7)-In(4) bond length is 3.62 Å. The Ca(7)-In(5) bond length is 3.31 Å. In the eighth Ca site, Ca(8) is bonded in a 4-coordinate geometry to one In(1), one In(4), one In(5), and one In(6) atom. The Ca(8)-In(1) bond length is 3.56 Å. The Ca(8)-In(4) bond length is 3.31 Å. The Ca(8)-In(5) bond length is 3.22 Å. The Ca(8)-In(6) bond length is 3.66 Å. In the ninth Ca site, Ca(9) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(5), and one In(6) atom. The Ca(9)-In(2) bond length is 3.19 Å. The Ca(9)-In(3) bond length is 3.64 Å. The Ca(9)-In(5) bond length is 3.31 Å. The Ca(9)-In(6) bond length is 3.62 Å. In the tenth Ca site, Ca(10) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(3), and one In(6) atom. The Ca(10)-In(1) bond length is 3.45 Å. The Ca(10)-In(3) bond length is 3.29 Å. The Ca(10)-In(6) bond length is 3.31 Å. In the eleventh Ca site, Ca(11) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(3), and one In(4) atom. The Ca(11)-In(1) bond length is 3.42 Å. The Ca(11)-In(3) bond length is 3.31 Å. The Ca(11)-In(4) bond length is 3.32 Å. In the twelfth Ca site, Ca(12) is bonded in a 4-coordinate geometry to one In(1), one In(2), one In(3), and one In(5) atom. The Ca(12)-In(1) bond length is 3.58 Å. The Ca(12)-In(2) bond length is 3.71 Å. The Ca(12)-In(3) bond length is 3.25 Å. The Ca(12)-In(5) bond length is 3.26 Å. In the thirteenth Ca site, Ca(13) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(2), and one In(4) atom. The Ca(13)-In(1) bond length is 3.45 Å. The Ca(13)-In(2) bond length is 3.29 Å. The Ca(13)-In(4) bond length is 3.31 Å. In the fourteenth Ca site, Ca(14) is bonded in a distorted trigonal non-coplanar geometry to one In(1), one In(2), and one In(6) atom. The Ca(14)-In(1) bond length is 3.41 Å. The Ca(14)-In(2) bond length is 3.31 Å. The Ca(14)-In(6) bond length is 3.32 Å. In the fifteenth Ca site, Ca(15) is bonded in a 4-coordinate geometry to one In(1), one In(4), one In(5), and one In(6) atom. The Ca(15)-In(1) bond length is 3.56 Å. The Ca(15)-In(4) bond length is 3.66 Å. The Ca(15)-In(5) bond length is 3.22 Å. The Ca(15)-In(6) bond length is 3.31 Å. In the sixteenth Ca site, Ca(16) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(5), and one In(6) atom. The Ca(16)-In(2) bond length is 3.63 Å. The Ca(16)-In(3) bond length is 3.27 Å. The Ca(16)-In(5) bond length is 3.24 Å. The Ca(16)-In(6) bond length is 3.58 Å. There are six inequivalent In sites. In the first In site, In(1) is bonded in a distorted q6 geometry to one Ca(10), one Ca(11), one Ca(12), one Ca(13), one Ca(14), one Ca(15), one Ca(2), one Ca(4), one Ca(5), and one Ca(8) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(12), one Ca(13), one Ca(14), one Ca(16), one Ca(3), one Ca(4), one Ca(5), one Ca(7), and one Ca(9) atom. In the third In site, In(3) is bonded in a 10-coordinate geometry to one Ca(10), one Ca(11), one Ca(12), one Ca(16), one Ca(2), one Ca(3), one Ca(5), one Ca(6), one Ca(7), and one Ca(9) atom. In the fourth In site, In(4) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(11), one Ca(13), one Ca(15), one Ca(2), one Ca(3), one Ca(4), one Ca(6), one Ca(7), and one Ca(8) atom. In the fifth In site, In(5) is bonded in a body-centered cubic geometry to one Ca(12), one Ca(15), one Ca(16), one Ca(3), one Ca(5), one Ca(7), one Ca(8), and one Ca(9) atom. In the sixth In site, In(6) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(10), one Ca(14), one Ca(15), one Ca(16), one Ca(2), one Ca(4), one Ca(6), one Ca(8), and one Ca(9) atom.