Ca3(InGa2)2 crystallizes in the trigonal P3m1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to three equivalent In(1), three equivalent In(4), three equivalent Ga(4), and three equivalent Ga(6) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to three equivalent In(2), three equivalent Ga(1), three equivalent Ga(5), and three equivalent Ga(7) atoms. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to three equivalent In(3), three equivalent Ga(2), three equivalent Ga(3), and three equivalent Ga(8) atoms. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to three equivalent In(1), three equivalent In(4), three equivalent Ga(3), and three equivalent Ga(8) atoms. In the fifth Ca site, Ca(5) is bonded in a 12-coordinate geometry to three equivalent In(2), three equivalent Ga(1), three equivalent Ga(4), and three equivalent Ga(6) atoms. In the sixth Ca site, Ca(6) is bonded in a 12-coordinate geometry to three equivalent In(3), three equivalent Ga(2), three equivalent Ga(5), and three equivalent Ga(7) atoms. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(4), three equivalent In(4), and one Ga(6) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(5), one Ga(7), and three equivalent Ga(1) atoms. In the third In site, In(3) is bonded in a 10-coordinate geometry to three equivalent Ca(3), three equivalent Ca(6), one Ga(8), and three equivalent Ga(2) atoms. In the fourth In site, In(4) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(4), three equivalent In(1), and one Ga(3) atom. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(5), three equivalent In(2), and one Ga(4) atom. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to three equivalent Ca(3), three equivalent Ca(6), three equivalent In(3), and one Ga(5) atom. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Ca(3), three equivalent Ca(4), one In(4), and three equivalent Ga(8) atoms. In the fourth Ga site, Ga(4) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(5), one Ga(1), and three equivalent Ga(6) atoms. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(6), one Ga(2), and three equivalent Ga(7) atoms. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(5), one In(1), and three equivalent Ga(4) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(6), one In(2), and three equivalent Ga(5) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to three equivalent Ca(3), three equivalent Ca(4), one In(3), and three equivalent Ga(3) atoms.
Ca3(InGa2)2 crystallizes in the trigonal P3m1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to three equivalent In(1), three equivalent In(4), three equivalent Ga(4), and three equivalent Ga(6) atoms. All Ca(1)-In(1) bond lengths are 3.14 Å. All Ca(1)-In(4) bond lengths are 3.63 Å. All Ca(1)-Ga(4) bond lengths are 3.44 Å. All Ca(1)-Ga(6) bond lengths are 3.08 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to three equivalent In(2), three equivalent Ga(1), three equivalent Ga(5), and three equivalent Ga(7) atoms. All Ca(2)-In(2) bond lengths are 3.17 Å. All Ca(2)-Ga(1) bond lengths are 3.62 Å. All Ca(2)-Ga(5) bond lengths are 3.46 Å. All Ca(2)-Ga(7) bond lengths are 3.09 Å. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to three equivalent In(3), three equivalent Ga(2), three equivalent Ga(3), and three equivalent Ga(8) atoms. All Ca(3)-In(3) bond lengths are 3.17 Å. All Ca(3)-Ga(2) bond lengths are 3.61 Å. All Ca(3)-Ga(3) bond lengths are 3.45 Å. All Ca(3)-Ga(8) bond lengths are 3.09 Å. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to three equivalent In(1), three equivalent In(4), three equivalent Ga(3), and three equivalent Ga(8) atoms. All Ca(4)-In(1) bond lengths are 3.63 Å. All Ca(4)-In(4) bond lengths are 3.13 Å. All Ca(4)-Ga(3) bond lengths are 3.08 Å. All Ca(4)-Ga(8) bond lengths are 3.43 Å. In the fifth Ca site, Ca(5) is bonded in a 12-coordinate geometry to three equivalent In(2), three equivalent Ga(1), three equivalent Ga(4), and three equivalent Ga(6) atoms. All Ca(5)-In(2) bond lengths are 3.50 Å. All Ca(5)-Ga(1) bond lengths are 3.08 Å. All Ca(5)-Ga(4) bond lengths are 3.10 Å. All Ca(5)-Ga(6) bond lengths are 3.46 Å. In the sixth Ca site, Ca(6) is bonded in a 12-coordinate geometry to three equivalent In(3), three equivalent Ga(2), three equivalent Ga(5), and three equivalent Ga(7) atoms. All Ca(6)-In(3) bond lengths are 3.49 Å. All Ca(6)-Ga(2) bond lengths are 3.08 Å. All Ca(6)-Ga(5) bond lengths are 3.10 Å. All Ca(6)-Ga(7) bond lengths are 3.48 Å. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(4), three equivalent In(4), and one Ga(6) atom. All In(1)-In(4) bond lengths are 2.82 Å. The In(1)-Ga(6) bond length is 3.08 Å. In the second In site, In(2) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(5), one Ga(7), and three equivalent Ga(1) atoms. The In(2)-Ga(7) bond length is 3.16 Å. All In(2)-Ga(1) bond lengths are 2.80 Å. In the third In site, In(3) is bonded in a 10-coordinate geometry to three equivalent Ca(3), three equivalent Ca(6), one Ga(8), and three equivalent Ga(2) atoms. The In(3)-Ga(8) bond length is 3.15 Å. All In(3)-Ga(2) bond lengths are 2.80 Å. In the fourth In site, In(4) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(4), three equivalent In(1), and one Ga(3) atom. The In(4)-Ga(3) bond length is 3.07 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(5), three equivalent In(2), and one Ga(4) atom. The Ga(1)-Ga(4) bond length is 3.00 Å. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to three equivalent Ca(3), three equivalent Ca(6), three equivalent In(3), and one Ga(5) atom. The Ga(2)-Ga(5) bond length is 3.00 Å. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Ca(3), three equivalent Ca(4), one In(4), and three equivalent Ga(8) atoms. All Ga(3)-Ga(8) bond lengths are 2.78 Å. In the fourth Ga site, Ga(4) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(5), one Ga(1), and three equivalent Ga(6) atoms. All Ga(4)-Ga(6) bond lengths are 2.78 Å. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(6), one Ga(2), and three equivalent Ga(7) atoms. All Ga(5)-Ga(7) bond lengths are 2.78 Å. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(5), one In(1), and three equivalent Ga(4) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(6), one In(2), and three equivalent Ga(5) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to three equivalent Ca(3), three equivalent Ca(4), one In(3), and three equivalent Ga(3) atoms.