cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1665375
title: Materials Data on LuCuSn by Materials Project

description: LuCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of edge and face-sharing LuCu6Sn6 cuboctahedra. All Lu–Cu bond lengths are 3.15 Å. All Lu–Sn bond lengths are 3.15 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.59 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Cu atoms.
DOI: 10.17188/1665376
title: Materials Data on SrCaZn2 by Materials Project

description: SrCaZn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two SrCaZn2 ribbons oriented in the (0, 1, 0) direction. Sr is bonded in a linear geometry to two equivalent Zn atoms. Both Sr–Zn bond lengths are 3.50 Å. Ca is bonded in a linear geometry to two equivalent Zn atoms. Both Ca–Zn bond lengths are 3.37 Å. Zn is bonded in a linear geometry to one Sr and one Ca atom.
DOI: 10.17188/1665377
title: Materials Data on La2CuS2O by Materials Project

description: La2CuS2O crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one La2CuS2O ribbon oriented in the (0, 0, 1) direction. La+2.50+ is bonded in a linear geometry to one S2- and one O2- atom. The La–S bond length is 2.57 Å. The La–O bond length is 2.13 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.09 Å. S2- is bonded in a linear geometry to one La+2.50+ and one Cu1+ atom. O2- is bonded in a linear geometry to two equivalent La+2.50+ atoms.
DOI: 10.17188/1665378
title: Materials Data on Li3Cr(CoO3)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1665379
title: Materials Data on Rb3ScF6 by Materials Project

description: Rb3ScF6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are four shorter (2.93 Å) and four longer (3.28 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedra tilt angles range from 0–31°. There are two shorter (2.69 Å) and four longer (2.75 Å) Rb–F bond lengths. Sc3+ is bonded to six F1- atoms to form ScF6 octahedra that share corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 0–31°. All Sc–F bond lengths are 2.04 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three Rb1+ and one Sc3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to five Rb1+ and one Sc3+ atom.
DOI: 10.17188/1665381
title: Materials Data on Na2Fe4O7 by Materials Project

description: Na2Fe4O7 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.76 Å) and three longer (3.03 Å) Na–O bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with six equivalent FeO6 octahedra and a cornercorner with one FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. There is one shorter (1.83 Å) and three longer (1.92 Å) Fe–O bond length. In the second Fe3+ site, Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with three equivalent FeO6 octahedra. All Fe–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and three Fe3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to six equivalent Na1+ and two equivalent Fe3+ atoms.
DOI: 10.17188/1665382
title: Materials Data on Sr2LaTaO6 by Materials Project

description: Sr2LaTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent LaO6 octahedra, and faces with four equivalent TaO6 octahedra. All Sr–O bond lengths are 3.06 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.33 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one La3+, and one Ta5+ atom.
DOI: 10.17188/1665384
title: Materials Data on CaNdCoO4 by Materials Project

description: NdCaCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.70 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.28–2.69 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Co–O bond distances ranging from 1.89–2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, four equivalent Nd3+, and one Co3+ atom to form distorted OCaNd4Co octahedra that share corners with seventeen OCa2Nd2Co2 octahedra, edges with eight OCaNd4Co octahedra, and faces with four equivalent OCa2Nd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to four equivalent Ca2+, one Nd3+, and one Co3+ atom to form distorted OCa4NdCo octahedra that share corners with seventeen OCa2Nd2Co2 octahedra, edges with eight OCaNd4Co octahedra, and faces with four equivalent OCa2Nd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to two equivalent Ca2+, two equivalent Nd3+, and two equivalent Co3+ atoms to form a mixture of distorted edge, face, and corner-sharing OCa2Nd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 6–53°.
DOI: 10.17188/1665385
title: Materials Data on MnCrO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1665386
title: Materials Data on EuAu2 by Materials Project

description: EuAu2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Eu2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. There are a spread of Eu–Au bond distances ranging from 3.32–3.49 Å. Au1- is bonded in a 10-coordinate geometry to six equivalent Eu2+ and four equivalent Au1- atoms. There are a spread of Au–Au bond distances ranging from 2.82–3.00 Å.
DOI: 10.17188/1665387
title: Materials Data on Ca3NbO6 by Materials Project

description: Ca3NbO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.34–3.06 Å. In the second Ca site, Ca is bonded to six O atoms to form CaO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–42°. There are a spread of Ca–O bond distances ranging from 2.30–2.35 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 35–42°. There are a spread of Nb–O bond distances ranging from 2.01–2.04 Å. There are three inequivalent O sites. In the first O site, O is bonded to three Ca and one Nb atom to form distorted corner-sharing OCa3Nb tetrahedra. In the second O site, O is bonded in a 4-coordinate geometry to four Ca and one Nb atom. In the third O site, O is bonded in a 5-coordinate geometry to four Ca and one Nb atom.
DOI: 10.17188/1665388
title: Materials Data on Y3ScN4 by Materials Project

description: Y3ScN4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six N3- atoms to form YN6 octahedra that share corners with three equivalent YN6 octahedra, corners with three equivalent ScN6 octahedra, edges with three equivalent ScN6 octahedra, and edges with nine YN6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (2.43 Å) and three longer (2.44 Å) Y–N bond lengths. In the second Y3+ site, Y3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing YN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–N bond lengths are 2.44 Å. Sc3+ is bonded to six equivalent N3- atoms to form ScN6 octahedra that share corners with six equivalent YN6 octahedra, edges with six equivalent YN6 octahedra, and edges with six equivalent ScN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sc–N bond lengths are 2.35 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Y3+ and three equivalent Sc3+ atoms to form a mixture of edge and corner-sharing NY3Sc3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to six Y3+ atoms to form a mixture of edge and corner-sharing NY6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1665390
title: Materials Data on SrAl3(PO7)2 by Materials Project

description: SrAl3(PO7)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with six equivalent PO4 tetrahedra and faces with six equivalent AlO6 octahedra. There are six shorter (2.74 Å) and six longer (2.76 Å) Sr–O bond lengths. Al is bonded to six O atoms to form AlO6 octahedra that share corners with four equivalent AlO6 octahedra, corners with two equivalent PO4 tetrahedra, and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 38°. There is four shorter (1.85 Å) and two longer (1.99 Å) Al–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent SrO12 cuboctahedra and corners with three equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There is one shorter (1.54 Å) and three longer (1.56 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a 2-coordinate geometry to one Sr, one Al, and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and two equivalent Al atoms.
DOI: 10.17188/1665391
title: Materials Data on RhF6 by Materials Project

description: RhF4F2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four fluorine molecules and four tetrafluororhodium molecules.
DOI: 10.17188/1665393
title: Materials Data on Li2ZnCu by Materials Project

description: Li2CuZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2CuZn ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to one Cu and one Zn atom. The Li–Cu bond length is 2.46 Å. The Li–Zn bond length is 2.76 Å. Cu is bonded in a linear geometry to two equivalent Li atoms. Zn is bonded in a linear geometry to two equivalent Li atoms.
DOI: 10.17188/1665394
title: Materials Data on LaMoO5 by Materials Project

description: LaMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.37–2.65 Å. Mo is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.85 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent La and one O atom. The O–O bond length is 1.51 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one Mo atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Mo atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Mo atom.
DOI: 10.17188/1665395
title: Materials Data on Li2FeSiO5 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1665396
title: Materials Data on Li2V5CoO12 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1665397
title: Materials Data on Tb(CuS)3 by Materials Project

description: TbCu3S3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent TbS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Tb–S bond lengths are 2.75 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent TbS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent TbS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are a spread of Cu–S bond distances ranging from 2.32–2.41 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Tb3+ and four equivalent Cu1+ atoms.
DOI: 10.17188/1665398
title: Materials Data on Li17Fe6(Si2O7)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1665399
title: Materials Data on NiIr by Materials Project

description: IrNi crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ir and six equivalent Ni atoms to form distorted IrNi6Ir6 cuboctahedra that share corners with twelve IrNi6Ir6 cuboctahedra, edges with twelve IrNi6Ir6 cuboctahedra, edges with twelve equivalent NiNi6Ir6 cuboctahedra, faces with six equivalent IrNi6Ir6 cuboctahedra, and faces with twelve equivalent NiNi6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.68 Å. All Ir–Ni bond lengths are 2.60 Å. In the second Ir site, Ir is bonded to six equivalent Ir and six Ni atoms to form distorted IrNi6Ir6 cuboctahedra that share corners with five equivalent NiNi10Ir6 cuboctahedra, corners with twelve IrNi6Ir6 cuboctahedra, edges with ten NiNi6Ir6 cuboctahedra, edges with twelve IrNi6Ir6 cuboctahedra, faces with six equivalent IrNi6Ir6 cuboctahedra, and faces with fifteen NiNi6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.68 Å. All Ir–Ni bond lengths are 2.60 Å. In the third Ir site, Ir is bonded to six equivalent Ir and six Ni atoms to form distorted IrNi6Ir6 cuboctahedra that share corners with five equivalent NiNi10Ir6 cuboctahedra, corners with twelve IrNi6Ir6 cuboctahedra, edges with ten NiNi6Ir6 cuboctahedra, edges with twelve IrNi6Ir6 cuboctahedra, faces with six equivalent IrNi6Ir6 cuboctahedra, and faces with fifteen NiNi6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.68 Å. All Ir–Ni bond lengths are 2.60 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six Ir and six equivalent Ni atoms to form distorted NiNi6Ir6 cuboctahedra that share corners with twelve NiNi6Ir6 cuboctahedra, edges with twelve IrNi6Ir6 cuboctahedra, edges with twelve NiNi6Ir6 cuboctahedra, faces with six equivalent NiNi6Ir6 cuboctahedra, and faces with twelve IrNi6Ir6 cuboctahedra. All Ni–Ni bond lengths are 2.68 Å. In the second Ni site, Ni is bonded to six Ir and ten equivalent Ni atoms to form distorted NiNi10Ir6 cuboctahedra that share corners with ten IrNi6Ir6 cuboctahedra, corners with twelve NiNi6Ir6 cuboctahedra, edges with eight IrNi6Ir6 cuboctahedra, edges with sixteen NiNi6Ir6 cuboctahedra, faces with sixteen equivalent NiNi10Ir6 cuboctahedra, and faces with eighteen IrNi6Ir6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.68–5.35 Å.
DOI: 10.17188/1665400
title: Materials Data on Tl(BiSe2)3 by Materials Project

description: Tl(BiSe2)2Bi(Se)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two bismuth molecules; four selenium molecules; and one Tl(BiSe2)2 sheet oriented in the (0, 0, 1) direction. In the Tl(BiSe2)2 sheet, there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. All Tl–Se bond lengths are 3.28 Å. In the second Tl3+ site, Tl3+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Tl–Se bond lengths are 3.28 Å. Bi3+ is bonded in a linear geometry to two Se2- atoms. Both Bi–Se bond lengths are 2.79 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to one Tl3+, one Bi3+, and one Se2- atom. The Se–Se bond length is 2.37 Å. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one Tl3+, one Bi3+, and one Se2- atom. The Se–Se bond length is 2.37 Å.
DOI: 10.17188/1665401
title: Materials Data on U8NiSe17 by Materials Project

description: U8NiSe17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.86–3.03 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.85–2.92 Å. In the third U4+ site, U4+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.81–3.05 Å. Ni2+ is bonded in an octahedral geometry to six Se2- atoms. There are two shorter (2.36 Å) and four longer (2.55 Å) Ni–Se bond lengths. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four U4+ atoms to form distorted SeU4 trigonal pyramids that share corners with two equivalent SeU6 octahedra, corners with six equivalent SeU3Ni tetrahedra, edges with two equivalent SeU3Ni tetrahedra, and an edgeedge with one SeU4 trigonal pyramid. The corner-sharing octahedral tilt angles are 39°. In the second Se2- site, Se2- is bonded to six U4+ atoms to form SeU6 octahedra that share corners with four equivalent SeU3Ni tetrahedra and corners with four equivalent SeU4 trigonal pyramids. In the third Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the fourth Se2- site, Se2- is bonded to three U4+ and one Ni2+ atom to form distorted SeU3Ni tetrahedra that share a cornercorner with one SeU6 octahedra, corners with five equivalent SeU3Ni tetrahedra, corners with three equivalent SeU4 trigonal pyramids, edges with two equivalent SeU3Ni tetrahedra, and an edgeedge with one SeU4 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the fifth Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the sixth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three U4+ and one Ni2+ atom. In the seventh Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U4+ atoms.
DOI: 10.17188/1665402
title: Materials Data on EuDy2O4 by Materials Project

description: Dy2EuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 51–65°. There are a spread of Dy–O bond distances ranging from 2.22–2.38 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 51–65°. There are a spread of Dy–O bond distances ranging from 2.27–2.36 Å. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.61–2.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Eu2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Eu2+ atoms. In the third O2- site, O2- is bonded to three equivalent Dy3+ and two equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OEu2Dy3 square pyramids. In the fourth O2- site, O2- is bonded to three equivalent Dy3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing OEu2Dy3 trigonal bipyramids.
DOI: 10.17188/1665403
title: Materials Data on Mg2InPd by Materials Project

description: Mg2PdIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2PdIn ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to one Pd and one In atom. The Mg–Pd bond length is 2.47 Å. The Mg–In bond length is 3.11 Å. Pd is bonded in a linear geometry to two equivalent Mg atoms. In is bonded in a linear geometry to two equivalent Mg atoms.