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Materials Data on CsGdTe4 by Materials Project

CsGdTe4 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent Te1- atoms. All Cs–Te bond lengths are 3.96 Å. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Te1- atoms. All Gd–Te bond lengths are 3.24 Å. Te1- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two equivalent Gd3+, and one Te1- atom. The Te–Te bond length is 2.82 Å.

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Materials Data on Gd2USe5 by Materials Project

UGd2Se5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven Se2- atoms to form distorted edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.76–2.96 Å. Gd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.96–3.10 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent U4+ and two equivalent Gd3+ atoms. In the second Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing SeGd4U trigonal bipyramids. In the third Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids. In the fourth Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids.

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Materials Data on Gd2MgIrO6 by Materials Project

MgGd2IrO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are a spread of Mg–O bond distances ranging from 2.06–2.10 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.75 Å. Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are two shorter (2.03 Å) and four longer (2.05 Å) Ir–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Gd3+, and one Ir4+ atom. In the second O2- site, O2- is bonded to one Mg2+, two equivalent Gd3+, and one Ir4+ atom to form distorted corner-sharing OGd2MgIr trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Gd3+, and one Ir4+ atom.

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Materials Data on KLiGd2(MoO4)4 by Materials Project

KLiGd2(MoO4)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.18 Å. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.04–2.61 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.53 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.86 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.87 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Li1+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Li1+, and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Gd3+, and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Gd3+, and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Li1+, and one Mo6+ atom.

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Materials Data on Sr2GdCu2RuO8 by Materials Project

RuSr2GdCu2O8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with eight equivalent SrO12 cuboctahedra, faces with five equivalent SrO12 cuboctahedra, faces with four equivalent RuO6 octahedra, and faces with four equivalent CuO5 square pyramids. There are a spread of Sr–O bond distances ranging from 2.74–2.99 Å. Gd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Gd–O bond lengths are 2.44 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent RuO6 octahedra, corners with two equivalent CuO5 square pyramids, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.93 Å) and two longer (2.04 Å) Ru–O bond length. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one RuO6 octahedra, corners with four equivalent CuO5 square pyramids, and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and one longer (2.20 Å) Cu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to four equivalent Sr2+ and two equivalent Ru5+ atoms. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Ru5+, and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OSr4CuRu octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Cu2+ atoms.

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Materials Data on SmGdS3 by Materials Project

GdSmS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd3+ is bonded to seven S2- atoms to form distorted edge-sharing GdS7 pentagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.76–2.93 Å. Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.80–3.11 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to one Gd3+ and four equivalent Sm3+ atoms to form distorted SSm4Gd square pyramids that share corners with four equivalent SSm4Gd square pyramids, corners with nine SSm2Gd3 trigonal bipyramids, edges with four equivalent SSm4Gd square pyramids, edges with five SSm2Gd3 trigonal bipyramids, and a faceface with one SSm2Gd3 trigonal bipyramid. In the second S2- site, S2- is bonded to three equivalent Gd3+ and two equivalent Sm3+ atoms to form distorted SSm2Gd3 trigonal bipyramids that share corners with three equivalent SSm4Gd square pyramids, corners with eleven SSm2Gd3 trigonal bipyramids, edges with four equivalent SSm4Gd square pyramids, and edges with five SSm2Gd3 trigonal bipyramids. In the third S2- site, S2- is bonded to three equivalent Gd3+ and two equivalent Sm3+ atoms to form distorted SSm2Gd3 trigonal bipyramids that share corners with six equivalent SSm4Gd square pyramids, corners with seven equivalent SSm2Gd3 trigonal bipyramids, an edgeedge with one SSm4Gd square pyramid, edges with seven SSm2Gd3 trigonal bipyramids, and a faceface with one SSm4Gd square pyramid.

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Materials Data on BaGdCuBO5 by Materials Project

BaGdCuBO5 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.24 Å. Gd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Gd–O bond lengths are 2.46 Å. Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.93–2.52 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, two equivalent Gd3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+, one Cu2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Gd3+, and two equivalent Cu2+ atoms.

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Materials Data on GdCoSi by Materials Project

GdCoSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd3+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are four shorter (2.95 Å) and one longer (3.40 Å) Gd–Si bond lengths. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.34 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Gd3+ and four equivalent Co1+ atoms.

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Materials Data on Ba5Gd2ZrAl2O13 by Materials Project

Ba5Gd2ZrAl2O13 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.94 Å) and six longer (3.04 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.78 Å) and six longer (3.09 Å) Ba–O bond lengths. In the third Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.94 Å. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with three equivalent ZrO6 octahedra and corners with three equivalent AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (2.28 Å) and three longer (2.30 Å) Gd–O bond lengths. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Zr–O bond lengths are 2.12 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent GdO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. There is one shorter (1.73 Å) and three longer (1.78 Å) Al–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Gd3+, and one Zr4+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+, one Gd3+, and one Al3+ atom.

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Materials Data on SmGdB12 by Materials Project

GdSmB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a 1-coordinate geometry to twenty-four equivalent B+0.50- atoms. All Gd–B bond lengths are 3.03 Å. Sm3+ is bonded in a 8-coordinate geometry to twenty-four equivalent B+0.50- atoms. All Sm–B bond lengths are 3.03 Å. B+0.50- is bonded in a 1-coordinate geometry to two equivalent Gd3+, two equivalent Sm3+, and five equivalent B+0.50- atoms. There is one shorter (1.64 Å) and four longer (1.75 Å) B–B bond length.

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Materials Data on GdAlGe2O7 by Materials Project

GdAlGe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.79 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with five GeO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.80–1.95 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent AlO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.73–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent AlO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.83 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Gd3+, one Al3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Gd3+, one Al3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+, one Al3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+, one Al3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Gd3+, one Al3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and two Ge4+ atoms.

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Materials Data on LaGdC4 by Materials Project

GdLaC4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Gd3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.57 Å) and eight longer (2.80 Å) Gd–C bond lengths. La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.58 Å) and eight longer (2.80 Å) La–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to three equivalent Gd3+, two equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent Gd3+, three equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.

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Materials Data on CeGdN2 by Materials Project

GdCeN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to six N3- atoms to form GdN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with four equivalent GdN6 octahedra, and edges with eight equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.51 Å) Gd–N bond lengths. Ce3+ is bonded to six N3- atoms to form CeN6 octahedra that share corners with six equivalent CeN6 octahedra, edges with four equivalent CeN6 octahedra, and edges with eight equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.51 Å) Ce–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Gd3+ and four equivalent Ce3+ atoms to form a mixture of corner and edge-sharing NCe4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent Gd3+ and two equivalent Ce3+ atoms to form NCe2Gd4 octahedra that share corners with six equivalent NCe2Gd4 octahedra and edges with twelve NCe4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Tb2GdGa5O12 by Materials Project

Tb2GdGa5O12 crystallizes in the tetragonal I4_122 space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.47 Å) Tb–O bond lengths. In the second Tb3+ site, Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.47 Å) Tb–O bond lengths. In the third Tb3+ site, Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.47 Å) Tb–O bond lengths. Gd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.48 Å) Gd–O bond lengths. There are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. There are five shorter (2.02 Å) and one longer (2.03 Å) Ga–O bond lengths. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. In the third Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. In the fourth Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Tb3+, one Gd3+, and two Ga3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Gd3+ and two Ga3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Tb3+, one Gd3+, and two Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Tb3+ and two Ga3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two Ga3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Tb3+ and two Ga3+ atoms.

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Materials Data on SrGdCoO4 by Materials Project

GdSrCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–2.70 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.32–2.69 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Co–O bond distances ranging from 1.90–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent Gd3+, and one Co3+ atom to form a mixture of distorted edge and corner-sharing OSrGd4Co octahedra. The corner-sharing octahedra tilt angles range from 0–11°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Gd3+, and one Co3+ atom to form a mixture of distorted edge and corner-sharing OSr4GdCo octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Co3+ atoms.

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Materials Data on RbGd(MoO4)2 by Materials Project

RbGd(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.42 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.73 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–2.44 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, two equivalent Gd3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Gd3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Gd3+, and one Mo6+ atom.

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Materials Data on GdCu5Te4 by Materials Project

GdCu5Te4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd3+ is bonded to six Te2- atoms to form GdTe6 octahedra that share corners with twelve CuTe4 tetrahedra, edges with two equivalent GdTe6 octahedra, edges with four equivalent CuTe6 octahedra, and edges with six CuTe4 tetrahedra. There are four shorter (3.06 Å) and two longer (3.09 Å) Gd–Te bond lengths. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six Te2- atoms to form CuTe6 octahedra that share corners with twelve CuTe4 tetrahedra, edges with two equivalent CuTe6 octahedra, edges with four equivalent GdTe6 octahedra, and edges with six CuTe4 tetrahedra. There are four shorter (2.94 Å) and two longer (3.00 Å) Cu–Te bond lengths. In the second Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share a cornercorner with one GdTe6 octahedra, corners with five equivalent CuTe6 octahedra, corners with six CuTe4 tetrahedra, an edgeedge with one CuTe6 octahedra, edges with two equivalent GdTe6 octahedra, and edges with three CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–56°. There are a spread of Cu–Te bond distances ranging from 2.68–2.75 Å. In the third Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share a cornercorner with one CuTe6 octahedra, corners with five equivalent GdTe6 octahedra, corners with six CuTe4 tetrahedra, an edgeedge with one GdTe6 octahedra, edges with two equivalent CuTe6 octahedra, and edges with three CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 8–57°. There are a spread of Cu–Te bond distances ranging from 2.59–2.63 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Gd3+ and five Cu1+ atoms to form a mixture of distorted corner and edge-sharing TeGd2Cu5 pentagonal bipyramids. In the second Te2- site, Te2- is bonded to one Gd3+ and six Cu1+ atoms to form distorted TeGdCu6 pentagonal bipyramids that share corners with three equivalent TeGdCu6 pentagonal bipyramids and edges with twelve TeGd2Cu5 pentagonal bipyramids.

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Materials Data on Gd2MgSi2 by Materials Project

MgGd2Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Mg–Si bond lengths are 2.90 Å. Gd3+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (2.98 Å) and four longer (3.05 Å) Gd–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to two equivalent Mg2+, six equivalent Gd3+, and one Si4- atom. The Si–Si bond length is 2.39 Å.

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