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AgGa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ag–Ga bond lengths are 2.87 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.
AgGa(PSe3)2 is Germanium disuphide-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AgGa(PSe3)2 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.63–2.96 Å. Ga3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ga–Se bond distances ranging from 2.44–2.50 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.18 Å) and two longer (2.25 Å) P–Se bond lengths. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.19–2.27 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+, one Ga3+, and one P4+ atom. In the second Se2- site, Se2- is bonded in an L-shaped geometry to one Ag1+ and one P4+ atom. In the third Se2- site, Se2- is bonded in an L-shaped geometry to one Ga3+ and one P4+ atom. In the fourth Se2- site, Se2- is bonded in an L-shaped geometry to one Ga3+ and one P4+ atom. In the fifth Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one P4+ atom. In the sixth Se2- site, Se2- is bonded in a water-like geometry to one Ga3+ and one P4+ atom.
AgGa(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgGa(PSe3)2 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent GaSe6 octahedra. All Ag–Se bond lengths are 2.90 Å. Ga3+ is bonded to six equivalent Se2- atoms to form GaSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Ga–Se bond lengths are 2.65 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.23 Å. Se2- is bonded in a 3-coordinate geometry to one Ag1+, one Ga3+, and one P4+ atom.
AgGaGe2Se6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.67–2.97 Å. Ga3+ is bonded to four Se2- atoms to form GaSe4 tetrahedra that share corners with four GeSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.43–2.46 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GaSe4 tetrahedra and corners with two equivalent GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.39–2.44 Å. In the second Ge4+ site, Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GaSe4 tetrahedra and corners with two equivalent GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.37–2.45 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Ag1+, one Ga3+, and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Ag1+, one Ga3+, and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two Ge4+ atoms. In the fourth Se2- site, Se2- is bonded in a water-like geometry to two Ge4+ atoms. In the fifth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+, one Ga3+, and one Ge4+ atom. In the sixth Se2- site, Se2- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom.