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CdSiP2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional and consists of four cadmium molecules and one SiP2 framework. In the SiP2 framework, Si4- is bonded to four equivalent P1+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.27 Å. P1+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms.
Sb2SnZn is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with four equivalent ZnSb4 tetrahedra and corners with eight equivalent SnSb4 tetrahedra. All Zn–Sb bond lengths are 2.68 Å. Sn4+ is bonded to four equivalent Sb3- atoms to form SnSb4 tetrahedra that share corners with four equivalent SnSb4 tetrahedra and corners with eight equivalent ZnSb4 tetrahedra. All Sn–Sb bond lengths are 2.87 Å. Sb3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing SbZn2Sn2 tetrahedra.
CuGaSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent GaSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Ga–Se bond lengths are 2.47 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing SeGa2Cu2 tetrahedra.
AgGaTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra and corners with eight equivalent GaTe4 tetrahedra. All Ag–Te bond lengths are 2.81 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight equivalent AgTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing TeGa2Ag2 tetrahedra.
CdGeAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. All Cd–As bond lengths are 2.68 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent CdAs4 tetrahedra. All Ge–As bond lengths are 2.49 Å. As3- is bonded to two equivalent Cd2+ and two equivalent Ge4+ atoms to form corner-sharing AsCd2Ge2 tetrahedra.
CuAlS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent AlS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent AlS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded to two equivalent Cu1+ and two equivalent Al3+ atoms to form corner-sharing SAl2Cu2 tetrahedra.
LiGaTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Te2- atoms to form LiTe4 tetrahedra that share corners with four equivalent LiTe4 tetrahedra and corners with eight equivalent GaTe4 tetrahedra. All Li–Te bond lengths are 2.77 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight equivalent LiTe4 tetrahedra. All Ga–Te bond lengths are 2.66 Å. Te2- is bonded to two equivalent Li1+ and two equivalent Ga3+ atoms to form corner-sharing TeLi2Ga2 tetrahedra.
AgFeS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All Fe–S bond lengths are 2.21 Å. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and corners with eight equivalent FeS4 tetrahedra. All Ag–S bond lengths are 2.55 Å. S2- is bonded to two equivalent Fe3+ and two equivalent Ag1+ atoms to form corner-sharing SFe2Ag2 tetrahedra.
CdSnP2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent P3- atoms to form CdP4 tetrahedra that share corners with four equivalent CdP4 tetrahedra and corners with eight equivalent SnP4 tetrahedra. All Cd–P bond lengths are 2.60 Å. Sn4+ is bonded to four equivalent P3- atoms to form SnP4 tetrahedra that share corners with four equivalent SnP4 tetrahedra and corners with eight equivalent CdP4 tetrahedra. All Sn–P bond lengths are 2.55 Å. P3- is bonded to two equivalent Cd2+ and two equivalent Sn4+ atoms to form corner-sharing PCd2Sn2 tetrahedra.
CuGaS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent GaS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. S2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Cu2 tetrahedra.
AgGaS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and corners with eight equivalent GaS4 tetrahedra. All Ag–S bond lengths are 2.57 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. S2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Ag2 tetrahedra.
BeZnO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight equivalent ZnO4 tetrahedra. All Be–O bond lengths are 1.67 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra and corners with eight equivalent BeO4 tetrahedra. All Zn–O bond lengths are 2.00 Å. O2- is bonded to two equivalent Be2+ and two equivalent Zn2+ atoms to form distorted corner-sharing OBe2Zn2 tetrahedra.
AgGaSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with eight equivalent GaSe4 tetrahedra. All Ag–Se bond lengths are 2.67 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing SeGa2Ag2 tetrahedra.
AgGaS2 is Chalcopyrite structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and corners with eight equivalent GaS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.52–2.62 Å. Ga3+ is bonded to four S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. There are one shorter (2.31 Å) and three longer (2.32 Å) Ga–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Ag2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Ag2 tetrahedra.
AgAlS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and corners with eight equivalent AlS4 tetrahedra. All Ag–S bond lengths are 2.58 Å. Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent AlS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded to two equivalent Ag1+ and two equivalent Al3+ atoms to form corner-sharing SAl2Ag2 tetrahedra.
CuFeS2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.25 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent FeS4 tetrahedra. All Cu–S bond lengths are 2.28 Å. S2- is bonded to two equivalent Fe3+ and two equivalent Cu1+ atoms to form corner-sharing SFe2Cu2 tetrahedra.
In2AsSe is Chalcopyrite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent In+2.50+ sites. In the first In+2.50+ site, In+2.50+ is bonded to two As3- and two Se2- atoms to form corner-sharing InAs2Se2 tetrahedra. Both In–As bond lengths are 2.73 Å. Both In–Se bond lengths are 2.82 Å. In the second In+2.50+ site, In+2.50+ is bonded to two As3- and two Se2- atoms to form corner-sharing InAs2Se2 tetrahedra. There are one shorter (2.72 Å) and one longer (2.73 Å) In–As bond lengths. Both In–Se bond lengths are 2.82 Å. In the third In+2.50+ site, In+2.50+ is bonded to two As3- and two Se2- atoms to form corner-sharing InAs2Se2 tetrahedra. Both In–As bond lengths are 2.72 Å. Both In–Se bond lengths are 2.81 Å. In the fourth In+2.50+ site, In+2.50+ is bonded to two As3- and two Se2- atoms to form corner-sharing InAs2Se2 tetrahedra. Both In–As bond lengths are 2.73 Å. There are one shorter (2.81 Å) and one longer (2.82 Å) In–Se bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four In+2.50+ atoms to form AsIn4 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight SeIn4 tetrahedra. In the second As3- site, As3- is bonded to four In+2.50+ atoms to form AsIn4 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight SeIn4 tetrahedra. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four In+2.50+ atoms to form SeIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight AsIn4 tetrahedra. In the second Se2- site, Se2- is bonded to four In+2.50+ atoms to form SeIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight AsIn4 tetrahedra.
In4As3Se is Chalcopyrite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. In+2.75+ is bonded to three As3- and one Se2- atom to form corner-sharing InAs3Se tetrahedra. All In–As bond lengths are 2.71 Å. The In–Se bond length is 2.79 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight equivalent AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight AsIn4 tetrahedra. Se2- is bonded to four equivalent In+2.75+ atoms to form SeIn4 tetrahedra that share corners with twelve AsIn4 tetrahedra.