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DOE OSTI2020

Materials Data on FeAgSe2 by Materials Project

FeAgSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Fe–Se bond lengths are 2.35 Å. 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 FeSe4 tetrahedra. All Ag–Se bond lengths are 2.65 Å. Se2- is bonded to two equivalent Fe3+ and two equivalent Ag1+ atoms to form corner-sharing SeFe2Ag2 tetrahedra.

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Materials Data on CuPN2 by Materials Project

CuPN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent N3- atoms to form distorted CuN4 tetrahedra that share corners with four equivalent CuN4 tetrahedra and corners with eight equivalent PN4 tetrahedra. All Cu–N bond lengths are 2.11 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN4 tetrahedra and corners with eight equivalent CuN4 tetrahedra. All P–N bond lengths are 1.66 Å. N3- is bonded to two equivalent Cu1+ and two equivalent P5+ atoms to form distorted corner-sharing NCu2P2 tetrahedra.

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Materials Data on Cd2TeSe by Materials Project

Cd2TeSe is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cd2+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form corner-sharing CdTe2Se2 tetrahedra. Both Cd–Te bond lengths are 2.84 Å. Both Cd–Se bond lengths are 2.72 Å. Te2- is bonded to four equivalent Cd2+ atoms to form TeCd4 tetrahedra that share corners with four equivalent TeCd4 tetrahedra and corners with eight equivalent SeCd4 tetrahedra. Se2- is bonded to four equivalent Cd2+ atoms to form SeCd4 tetrahedra that share corners with four equivalent SeCd4 tetrahedra and corners with eight equivalent TeCd4 tetrahedra.

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Materials Data on AlGaP2 by Materials Project

(AlP)(GaP) is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent P3- atoms to form GaP4 tetrahedra that share corners with four equivalent GaP4 tetrahedra and corners with eight equivalent AlP4 tetrahedra. All Ga–P bond lengths are 2.39 Å. Al3+ is bonded to four equivalent P3- atoms to form AlP4 tetrahedra that share corners with four equivalent AlP4 tetrahedra and corners with eight equivalent GaP4 tetrahedra. All Al–P bond lengths are 2.38 Å. P3- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form corner-sharing PAl2Ga2 tetrahedra.

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Materials Data on ZnGeAs2 by Materials Project

ZnGeAs2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. All Zn–As bond lengths are 2.46 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 ZnAs4 tetrahedra. All Ge–As bond lengths are 2.51 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form corner-sharing AsZn2Ge2 tetrahedra.

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Materials Data on MgMnTe2 by Materials Project

MgMnTe2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Te2- atoms to form MgTe4 tetrahedra that share corners with four equivalent MgTe4 tetrahedra and corners with eight equivalent MnTe4 tetrahedra. All Mg–Te bond lengths are 2.82 Å. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight equivalent MgTe4 tetrahedra. All Mn–Te bond lengths are 2.75 Å. Te2- is bonded to two equivalent Mg2+ and two equivalent Mn2+ atoms to form corner-sharing TeMg2Mn2 tetrahedra.

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Materials Data on ZnSnAs2 by Materials Project

ZnSnAs2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra and corners with eight equivalent SnAs4 tetrahedra. All Zn–As bond lengths are 2.49 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight equivalent ZnAs4 tetrahedra. All Sn–As bond lengths are 2.66 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing AsZn2Sn2 tetrahedra.

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Materials Data on MnSiAs2 by Materials Project

MnSiAs2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with four equivalent MnAs4 tetrahedra and corners with eight equivalent SiAs4 tetrahedra. All Mn–As bond lengths are 2.55 Å. Si4+ is bonded to four equivalent As3- atoms to form SiAs4 tetrahedra that share corners with four equivalent SiAs4 tetrahedra and corners with eight equivalent MnAs4 tetrahedra. All Si–As bond lengths are 2.40 Å. As3- is bonded to two equivalent Mn2+ and two equivalent Si4+ atoms to form corner-sharing AsMn2Si2 tetrahedra.

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Materials Data on InGaSb2 by Materials Project

InGaSb2 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. In3+ is bonded to four Sb3- atoms to form InSb4 tetrahedra that share corners with six equivalent InSb4 tetrahedra and corners with six equivalent GaSb4 tetrahedra. There are three shorter (2.83 Å) and one longer (2.87 Å) In–Sb bond lengths. Ga3+ is bonded to four Sb3- atoms to form GaSb4 tetrahedra that share corners with six equivalent InSb4 tetrahedra and corners with six equivalent GaSb4 tetrahedra. There are one shorter (2.69 Å) and three longer (2.76 Å) Ga–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing SbIn3Ga tetrahedra. In the second Sb3- site, Sb3- is bonded to one In3+ and three equivalent Ga3+ atoms to form corner-sharing SbInGa3 tetrahedra.

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Materials Data on MnZnSe2 by Materials Project

ZnMnSe2 is Chalcopyrite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Mn2+ is bonded to four Se2- atoms to form MnSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent ZnSe4 tetrahedra. There are three shorter (2.54 Å) and one longer (2.55 Å) Mn–Se bond lengths. Zn2+ is bonded to four Se2- atoms to form ZnSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent ZnSe4 tetrahedra. There are one shorter (2.49 Å) and three longer (2.52 Å) Zn–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to one Mn2+ and three equivalent Zn2+ atoms to form corner-sharing SeMnZn3 tetrahedra. In the second Se2- site, Se2- is bonded to three equivalent Mn2+ and one Zn2+ atom to form corner-sharing SeMn3Zn tetrahedra.

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Materials Data on ZnSnN2 by Materials Project

ZnSnN2 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with four equivalent ZnN4 tetrahedra and corners with eight equivalent SnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.07–2.09 Å. Sn4+ is bonded to four N3- atoms to form SnN4 tetrahedra that share corners with four equivalent SnN4 tetrahedra and corners with eight equivalent ZnN4 tetrahedra. There are a spread of Sn–N bond distances ranging from 2.08–2.10 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing NZn2Sn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing NZn2Sn2 tetrahedra.

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Materials Data on LiCrN2 by Materials Project

LiCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent CrN4 tetrahedra. All Li–N bond lengths are 2.13 Å. Cr5+ is bonded to four equivalent N3- atoms to form CrN4 tetrahedra that share corners with four equivalent CrN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All Cr–N bond lengths are 1.79 Å. N3- is bonded to two equivalent Li1+ and two equivalent Cr5+ atoms to form corner-sharing NLi2Cr2 tetrahedra.

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Materials Data on MnZn4S5 by Materials Project

MnZn4S5 is Chalcopyrite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four S2- atoms to form MnS4 tetrahedra that share corners with four MnS4 tetrahedra and corners with eight ZnS4 tetrahedra. All Mn–S bond lengths are 2.40 Å. In the second Mn2+ site, Mn2+ is bonded to four S2- atoms to form MnS4 tetrahedra that share corners with four MnS4 tetrahedra and corners with eight ZnS4 tetrahedra. All Mn–S bond lengths are 2.40 Å. There are eight inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with two equivalent MnS4 tetrahedra and corners with ten ZnS4 tetrahedra. All Zn–S bond lengths are 2.37 Å. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with six MnS4 tetrahedra and corners with six ZnS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.34–2.37 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with eight ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Zn–S bond lengths. In the fourth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.38 Å. In the fifth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.38 Å) Zn–S bond lengths. In the sixth Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with two equivalent MnS4 tetrahedra and corners with ten ZnS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.36–2.38 Å. In the seventh Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with two equivalent MnS4 tetrahedra and corners with ten ZnS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.35–2.38 Å. In the eighth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are three shorter (2.37 Å) and one longer (2.38 Å) Zn–S bond lengths. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded to one Mn2+ and three Zn2+ atoms to form corner-sharing SMnZn3 tetrahedra. In the second S2- site, S2- is bonded to three Mn2+ and one Zn2+ atom to form corner-sharing SMn3Zn tetrahedra. In the third S2- site, S2- is bonded to two equivalent Mn2+ and two Zn2+ atoms to form corner-sharing SMn2Zn2 tetrahedra. In the fourth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the fifth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the sixth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the seventh S2- site, S2- is bonded to one Mn2+ and three Zn2+ atoms to form corner-sharing SMnZn3 tetrahedra. In the eighth S2- site, S2- is bonded to one Mn2+ and three Zn2+ atoms to form corner-sharing SMnZn3 tetrahedra. In the ninth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the tenth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra.

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Materials Data on MnZn4O5 by Materials Project

MnZn4O5 is Chalcopyrite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent MnO4 tetrahedra and corners with six ZnO4 tetrahedra. There are three shorter (2.06 Å) and one longer (2.09 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent MnO4 tetrahedra and corners with six ZnO4 tetrahedra. There are three shorter (2.05 Å) and one longer (2.07 Å) Mn–O bond lengths. There are eight inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. All Zn–O bond lengths are 2.02 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. All Zn–O bond lengths are 2.03 Å. In the third Zn2+ site, Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There are one shorter (2.01 Å) and three longer (2.02 Å) Zn–O bond lengths. In the fourth Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with six MnO4 tetrahedra and corners with six equivalent ZnO4 tetrahedra. There is one shorter (1.98 Å) and three longer (2.01 Å) Zn–O bond length. In the fifth Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with three equivalent MnO4 tetrahedra and corners with nine ZnO4 tetrahedra. There are one shorter (2.00 Å) and three longer (2.02 Å) Zn–O bond lengths. In the sixth Zn2+ site, Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There are two shorter (2.02 Å) and two longer (2.03 Å) Zn–O bond lengths. In the seventh Zn2+ site, Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There are two shorter (2.02 Å) and two longer (2.03 Å) Zn–O bond lengths. In the eighth Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with three equivalent MnO4 tetrahedra and corners with nine ZnO4 tetrahedra. There are one shorter (2.00 Å) and three longer (2.02 Å) Zn–O bond lengths. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mn2+ and three equivalent Zn2+ atoms to form corner-sharing OMnZn3 tetrahedra. In the second O2- site, O2- is bonded to one Mn2+ and three equivalent Zn2+ atoms to form corner-sharing OMnZn3 tetrahedra. In the third O2- site, O2- is bonded to four Zn2+ atoms to form corner-sharing OZn4 tetrahedra. In the fourth O2- site, O2- is bonded to four Zn2+ atoms to form corner-sharing OZn4 tetrahedra. In the fifth O2- site, O2- is bonded to four Zn2+ atoms to form corner-sharing OZn4 tetrahedra. In the sixth O2- site, O2- is bonded to three equivalent Mn2+ and one Zn2+ atom to form corner-sharing OMn3Zn tetrahedra. In the seventh O2- site, O2- is bonded to three equivalent Mn2+ and one Zn2+ atom to form corner-sharing OMn3Zn tetrahedra. In the eighth O2- site, O2- is bonded to four Zn2+ atoms to form corner-sharing OZn4 tetrahedra. In the ninth O2- site, O2- is bonded to four Zn2+ atoms to form corner-sharing OZn4 tetrahedra. In the tenth O2- site, O2- is bonded to four Zn2+ atoms to form corner-sharing OZn4 tetrahedra.

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Materials Data on MnCdTe2 by Materials Project

MnCdTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight equivalent CdTe4 tetrahedra. All Mn–Te bond lengths are 2.49 Å. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with eight equivalent MnTe4 tetrahedra. All Cd–Te bond lengths are 2.91 Å. Te2- is bonded to two equivalent Mn2+ and two equivalent Cd2+ atoms to form corner-sharing TeMn2Cd2 tetrahedra.

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Materials Data on Zn4FeSe5 by Materials Project

FeZn4Se5 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Fe2+ is bonded to four Se2- atoms to form FeSe4 tetrahedra that share corners with six equivalent FeSe4 tetrahedra and corners with six ZnSe4 tetrahedra. There are one shorter (2.45 Å) and three longer (2.48 Å) Fe–Se bond lengths. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Se2- atoms to form ZnSe4 tetrahedra that share corners with three equivalent FeSe4 tetrahedra and corners with nine ZnSe4 tetrahedra. There are one shorter (2.48 Å) and three longer (2.49 Å) Zn–Se bond lengths. In the second Zn2+ site, Zn2+ is bonded to four Se2- atoms to form corner-sharing ZnSe4 tetrahedra. All Zn–Se bond lengths are 2.48 Å. In the third Zn2+ site, Zn2+ is bonded to four Se2- atoms to form ZnSe4 tetrahedra that share corners with three equivalent FeSe4 tetrahedra and corners with nine ZnSe4 tetrahedra. There are three shorter (2.48 Å) and one longer (2.49 Å) Zn–Se bond lengths. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to one Fe2+ and three equivalent Zn2+ atoms to form corner-sharing SeZn3Fe tetrahedra. In the second Se2- site, Se2- is bonded to four Zn2+ atoms to form corner-sharing SeZn4 tetrahedra. In the third Se2- site, Se2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SeZn4 tetrahedra. In the fourth Se2- site, Se2- is bonded to four Zn2+ atoms to form corner-sharing SeZn4 tetrahedra. The Se–Zn bond length is 2.48 Å. In the fifth Se2- site, Se2- is bonded to three equivalent Fe2+ and one Zn2+ atom to form corner-sharing SeZnFe3 tetrahedra.

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Materials Data on MgMn3Te4 by Materials Project

MgMn3Te4 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Te2- atoms to form MgTe4 tetrahedra that share corners with four equivalent MgTe4 tetrahedra and corners with eight equivalent MnTe4 tetrahedra. All Mg–Te bond lengths are 2.81 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent MgTe4 tetrahedra and corners with eight MnTe4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.77 Å) Mn–Te bond lengths. In the second Mn2+ site, Mn2+ is bonded to four equivalent Te2- atoms to form corner-sharing MnTe4 tetrahedra. All Mn–Te bond lengths are 2.78 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Mn2+ atoms to form corner-sharing TeMn4 tetrahedra. In the second Te2- site, Te2- is bonded to two equivalent Mg2+ and two equivalent Mn2+ atoms to form corner-sharing TeMg2Mn2 tetrahedra.

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Materials Data on InGa4Sb5 by Materials Project

InGa4Sb5 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. In3+ is bonded to four Sb3- atoms to form InSb4 tetrahedra that share corners with six equivalent InSb4 tetrahedra and corners with six GaSb4 tetrahedra. There are three shorter (2.80 Å) and one longer (2.84 Å) In–Sb bond lengths. There are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Sb3- atoms to form GaSb4 tetrahedra that share corners with three equivalent InSb4 tetrahedra and corners with nine GaSb4 tetrahedra. There are one shorter (2.70 Å) and three longer (2.72 Å) Ga–Sb bond lengths. In the second Ga3+ site, Ga3+ is bonded to four Sb3- atoms to form corner-sharing GaSb4 tetrahedra. There are one shorter (2.72 Å) and three longer (2.73 Å) Ga–Sb bond lengths. In the third Ga3+ site, Ga3+ is bonded to four Sb3- atoms to form corner-sharing GaSb4 tetrahedra. There are one shorter (2.70 Å) and three longer (2.74 Å) Ga–Sb bond lengths. In the fourth Ga3+ site, Ga3+ is bonded to four Sb3- atoms to form GaSb4 tetrahedra that share corners with three equivalent InSb4 tetrahedra and corners with nine GaSb4 tetrahedra. There are one shorter (2.67 Å) and three longer (2.73 Å) Ga–Sb bond lengths. There are five inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four Ga3+ atoms to form corner-sharing SbGa4 tetrahedra. In the second Sb3- site, Sb3- is bonded to four Ga3+ atoms to form corner-sharing SbGa4 tetrahedra. In the third Sb3- site, Sb3- is bonded to four Ga3+ atoms to form corner-sharing SbGa4 tetrahedra. In the fourth Sb3- site, Sb3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing SbIn3Ga tetrahedra. In the fifth Sb3- site, Sb3- is bonded to one In3+ and three equivalent Ga3+ atoms to form corner-sharing SbInGa3 tetrahedra.

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