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CaGa2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve equivalent Ga atoms. There are six shorter (3.02 Å) and six longer (3.38 Å) Ca–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Ga atoms. There are three shorter (2.68 Å) and one longer (3.07 Å) Ga–Ga bond lengths.
Ca3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to twelve Ga atoms to form a mixture of face and edge-sharing CaGa12 cuboctahedra. There are four shorter (3.27 Å) and eight longer (3.31 Å) Ca–Ga bond lengths. In the second Ca site, Ca is bonded in a 10-coordinate geometry to fourteen Ga atoms. There are a spread of Ca–Ga bond distances ranging from 3.28–3.48 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ca and eight Ga atoms to form a mixture of distorted face and corner-sharing GaCa4Ga8 cuboctahedra. There are four shorter (2.65 Å) and four longer (3.06 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ca and three Ga atoms. There are two shorter (2.47 Å) and one longer (2.49 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six Ca and three Ga atoms. The Ga–Ga bond length is 2.49 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ca and five Ga atoms.
CaGa4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ca–Ga bond distances ranging from 3.27–3.54 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ca and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.49–2.66 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ca and five Ga atoms. The Ga–Ga bond length is 2.91 Å.
Ca3Ga5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ca–Ga bond distances ranging from 3.17–3.29 Å. In the second Ca site, Ca is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Ca–Ga bond distances ranging from 3.13–3.42 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ca and four Ga atoms. There are two shorter (2.64 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ca and four Ga atoms. The Ga–Ga bond length is 2.70 Å.
Ca11Ga7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted octahedral geometry to six equivalent Ga atoms. All Ca–Ga bond lengths are 3.53 Å. In the second Ca site, Ca is bonded in a cuboctahedral geometry to twelve equivalent Ca atoms. All Ca–Ca bond lengths are 3.82 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.21 Å) and three longer (3.29 Å) Ca–Ga bond lengths. In the fourth Ca site, Ca is bonded in a distorted square co-planar geometry to one Ca and four Ga atoms. There are two shorter (3.12 Å) and two longer (3.26 Å) Ca–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Ca atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ca and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.
CaGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Ca–Ga bond distances ranging from 3.15–3.30 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Ca and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.72 Å.
CaGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Ga atoms to form a mixture of face and edge-sharing CaGa12 cuboctahedra. All Ca–Ga bond lengths are 3.31 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.48 Å.
Ca5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a square co-planar geometry to four equivalent Ga atoms. All Ca–Ga bond lengths are 3.22 Å. In the second Ca site, Ca is bonded to five Ga atoms to form a mixture of distorted corner, edge, and face-sharing CaGa5 trigonal bipyramids. There are a spread of Ca–Ga bond distances ranging from 3.18–3.33 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Ca atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Ca and one Ga atom. The Ga–Ga bond length is 2.50 Å.