cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1678987
title: Materials Data on TlCr(SO4)2 by Materials Project

description: CrTl(SO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form distorted CrO6 octahedra that share corners with six equivalent SO4 tetrahedra and faces with two equivalent TlO12 cuboctahedra. All Cr–O bond lengths are 2.03 Å. Tl1+ is bonded to twelve O2- atoms to form distorted TlO12 cuboctahedra that share edges with six equivalent TlO12 cuboctahedra, edges with six equivalent SO4 tetrahedra, and faces with two equivalent CrO6 octahedra. There are six shorter (3.06 Å) and six longer (3.45 Å) Tl–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent CrO6 octahedra and edges with three equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 34°. There is one shorter (1.46 Å) and three longer (1.49 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr3+, one Tl1+, and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Tl1+ and one S6+ atom.
DOI: 10.17188/1678988
title: Materials Data on CaPrCoO4 by Materials Project

description: CaPrCoO4 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 2.33–2.71 Å. Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.30–2.71 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Co–O bond distances ranging from 1.90–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, four equivalent Pr3+, and one Co3+ atom to form distorted OCaPr4Co octahedra that share corners with seventeen OCa2Pr2Co2 octahedra, edges with eight OCaPr4Co octahedra, and faces with four equivalent OCa2Pr2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to four equivalent Ca2+, one Pr3+, and one Co3+ atom to form distorted OCa4PrCo octahedra that share corners with seventeen OCa2Pr2Co2 octahedra, edges with eight OCaPr4Co octahedra, and faces with four equivalent OCa2Pr2Co2 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 Pr3+, and two equivalent Co3+ atoms to form a mixture of distorted face, edge, and corner-sharing OCa2Pr2Co2 octahedra. The corner-sharing octahedra tilt angles range from 5–53°.
DOI: 10.17188/1678989
title: Materials Data on Sm4Fe3Co(AsO)4 by Materials Project

description: Sm4Fe3Co(AsO)4 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four O2- atoms. There are two shorter (3.33 Å) and two longer (3.38 Å) Sm–As bond lengths. All Sm–O bond lengths are 2.31 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to four equivalent As3- atoms to form FeAs4 tetrahedra that share corners with four equivalent CoAs4 tetrahedra and edges with four equivalent FeAs4 tetrahedra. All Fe–As bond lengths are 2.59 Å. In the second Fe2+ site, Fe2+ is bonded to four equivalent As3- atoms to form FeAs4 tetrahedra that share corners with four equivalent FeAs4 tetrahedra, edges with two equivalent FeAs4 tetrahedra, and edges with two equivalent CoAs4 tetrahedra. All Fe–As bond lengths are 2.56 Å. Co2+ is bonded to four equivalent As3- atoms to form CoAs4 tetrahedra that share corners with four equivalent FeAs4 tetrahedra and edges with four equivalent FeAs4 tetrahedra. All Co–As bond lengths are 2.53 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+, three Fe2+, and one Co2+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O2- site, O2- is bonded to four equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.
DOI: 10.17188/1678990
title: Materials Data on LiGa2 by Materials Project

description: LiGa2 is Calaverite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li is bonded to six equivalent Ga atoms to form edge-sharing LiGa6 octahedra. All Li–Ga bond lengths are 2.71 Å. Ga is bonded in a 3-coordinate geometry to three equivalent Li atoms.
DOI: 10.17188/1678991
title: Materials Data on Cr(CuO3)2 by Materials Project

description: Cr(CuO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with seven CuO6 octahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are a spread of Cr–O bond distances ranging from 1.61–1.78 Å. There are three inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent CrO4 tetrahedra and edges with four CuO6 octahedra. There are four shorter (1.90 Å) and two longer (2.43 Å) Cu–O bond lengths. In the second Cu3+ site, Cu3+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent CrO4 tetrahedra and edges with four CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.94–2.31 Å. In the third Cu3+ site, Cu3+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with two equivalent CuO6 octahedra, corners with three equivalent CrO4 tetrahedra, and edges with two CuO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Cu–O bond distances ranging from 1.82–2.39 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cu3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cr6+ and two Cu3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and one Cu3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr6+ and two Cu3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and two Cu3+ atoms. In the sixth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Cu3+ atoms.
DOI: 10.17188/1678992
title: Materials Data on Sr2FeCoO6 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: 10.17188/1678993
title: Materials Data on SrF3 by Materials Project

description: SrF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve F atoms to form a mixture of corner, edge, and face-sharing SrF12 cuboctahedra. There are eight shorter (2.61 Å) and four longer (2.85 Å) Sr–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded to four equivalent Sr atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra. In the second F site, F is bonded in a square co-planar geometry to four equivalent Sr atoms.
DOI: 10.17188/1678994
title: Materials Data on BiOs3(CO)9 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: 10.17188/1678995
title: Materials Data on Sn(PbN)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: 10.17188/1678996
title: Materials Data on LiFeOF2 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: 10.17188/1678997
title: Materials Data on Li3OsN2 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: 10.17188/1678998
title: Materials Data on Ce3ZrO8 by Materials Project

description: Ce3ZrO8 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.43 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.30 Å) and four longer (2.40 Å) Ce–O bond lengths. Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.22 Å) and four longer (2.36 Å) Zr–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OCe2Zr2 tetrahedra. In the second O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OCe2Zr2 tetrahedra. In the fourth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1678999
title: Materials Data on MgB2H13N3 by Materials Project

description: MgB2N3H13 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one MgB2N3H13 sheet oriented in the (1, 0, 0) direction. Mg2+ is bonded to three N3- and three H1+ atoms to form distorted MgH3N3 octahedra that share corners with three BH3N tetrahedra and an edgeedge with one BH3N tetrahedra. There are a spread of Mg–N bond distances ranging from 2.10–2.15 Å. There are a spread of Mg–H bond distances ranging from 1.99–2.18 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded to one N3- and three H1+ atoms to form BH3N tetrahedra that share a cornercorner with one MgH3N3 octahedra and an edgeedge with one MgH3N3 octahedra. The corner-sharing octahedral tilt angles are 63°. The B–N bond length is 1.56 Å. There are a spread of B–H bond distances ranging from 1.23–1.25 Å. In the second B3- site, B3- is bonded to one N3- and three H1+ atoms to form BH3N tetrahedra that share corners with two equivalent MgH3N3 octahedra. The corner-sharing octahedra tilt angles range from 26–67°. The B–N bond length is 1.57 Å. There is two shorter (1.23 Å) and one longer (1.25 Å) B–H bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to one Mg2+, one B3-, and two H1+ atoms to form distorted corner-sharing NMgBH2 tetrahedra. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N3- site, N3- is bonded to one Mg2+, one B3-, and two H1+ atoms to form distorted corner-sharing NMgBH2 tetrahedra. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the third N3- site, N3- is bonded to one Mg2+ and three H1+ atoms to form distorted corner-sharing NMgH3 tetrahedra. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are thirteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the third H1+ site, H1+ is bonded in a bent 150 degrees geometry to one Mg2+ and one B3- atom. In the fourth H1+ site, H1+ is bonded in a water-like geometry to one Mg2+ and one B3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the ninth H1+ site, H1+ is bonded in a distorted L-shaped geometry to one Mg2+ and one B3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1679000
title: Materials Data on Na5(WO3)14 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: 10.17188/1679001
title: Materials Data on Nb3S5 by Materials Project

description: Nb3S5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Nb+3.33+ sites. In the first Nb+3.33+ site, Nb+3.33+ is bonded to six S2- atoms to form a mixture of edge, corner, and face-sharing NbS6 octahedra. There are a spread of Nb–S bond distances ranging from 2.38–2.59 Å. In the second Nb+3.33+ site, Nb+3.33+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing NbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Nb–S bond distances ranging from 2.47–2.54 Å. In the third Nb+3.33+ site, Nb+3.33+ is bonded to six S2- atoms to form a mixture of distorted edge, corner, and face-sharing NbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 9°. There are a spread of Nb–S bond distances ranging from 2.45–2.54 Å. In the fourth Nb+3.33+ site, Nb+3.33+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing NbS6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 12–47°. There are a spread of Nb–S bond distances ranging from 2.44–2.51 Å. In the fifth Nb+3.33+ site, Nb+3.33+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing NbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Nb–S bond distances ranging from 2.48–2.55 Å. In the sixth Nb+3.33+ site, Nb+3.33+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing NbS6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 10–45°. There are a spread of Nb–S bond distances ranging from 2.42–2.54 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Nb+3.33+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Nb+3.33+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three Nb+3.33+ atoms. In the fourth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Nb+3.33+ atoms. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Nb+3.33+ atoms. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Nb+3.33+ atoms. In the seventh S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Nb+3.33+ atoms. In the eighth S2- site, S2- is bonded in a 3-coordinate geometry to three Nb+3.33+ atoms. In the ninth S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to four Nb+3.33+ atoms. In the tenth S2- site, S2- is bonded in a 3-coordinate geometry to three Nb+3.33+ atoms.
DOI: 10.17188/1679002
title: Materials Data on SbAsRh by Materials Project

description: RhSbAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to three equivalent Sb1- and three equivalent As3- atoms to form RhSb3As3 octahedra that share corners with eight equivalent RhSb3As3 octahedra, corners with three equivalent SbAsRh3 tetrahedra, corners with three equivalent AsSbRh3 tetrahedra, and edges with two equivalent RhSb3As3 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are one shorter (2.66 Å) and two longer (2.69 Å) Rh–Sb bond lengths. There are a spread of Rh–As bond distances ranging from 2.47–2.49 Å. Sb1- is bonded to three equivalent Rh4+ and one As3- atom to form SbAsRh3 tetrahedra that share corners with three equivalent RhSb3As3 octahedra, corners with four equivalent SbAsRh3 tetrahedra, corners with nine equivalent AsSbRh3 tetrahedra, and an edgeedge with one SbAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 70–74°. The Sb–As bond length is 2.69 Å. As3- is bonded to three equivalent Rh4+ and one Sb1- atom to form distorted AsSbRh3 tetrahedra that share corners with three equivalent RhSb3As3 octahedra, corners with four equivalent AsSbRh3 tetrahedra, corners with nine equivalent SbAsRh3 tetrahedra, and an edgeedge with one AsSbRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–76°.
DOI: 10.17188/1679003
title: Materials Data on La2Ru2I by Materials Project

description: La2Ru2I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to six equivalent Ru and three equivalent I atoms. There are three shorter (3.08 Å) and three longer (3.20 Å) La–Ru bond lengths. All La–I bond lengths are 3.59 Å. Ru is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ru atoms. All Ru–Ru bond lengths are 2.52 Å. I is bonded in a 6-coordinate geometry to six equivalent La atoms.
DOI: 10.17188/1679005
title: Materials Data on ZrO2 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: 10.17188/1679006
title: Materials Data on CrPt by Materials Project

description: PtCr is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cr2+ is bonded in a 8-coordinate geometry to eight equivalent Pt2- atoms. All Cr–Pt bond lengths are 2.70 Å. Pt2- is bonded to eight equivalent Cr2+ and four equivalent Pt2- atoms to form a mixture of distorted corner, edge, and face-sharing PtCr8Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.67 Å.
DOI: 10.17188/1679007
title: Materials Data on YLu3Cr4O16 by Materials Project

description: Lu3YCr4O16 is Zircon-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.26 Å) and four longer (2.41 Å) Lu–O bond lengths. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.27–2.41 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.44 Å) Y–O bond lengths. There are three inequivalent Cr5+ sites. In the first Cr5+ site, Cr5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.72 Å. In the second Cr5+ site, Cr5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.73 Å. In the third Cr5+ site, Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. All Cr–O bond lengths are 1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Lu3+, one Y3+, and one Cr5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Lu3+ and one Cr5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Lu3+, one Y3+, and one Cr5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Lu3+ and one Cr5+ atom.
DOI: 10.17188/1679008
title: Materials Data on Fe10O11 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: 10.17188/1679009
title: Materials Data on Li3MnPCO7 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: 10.17188/1679011
title: Materials Data on TeI4 by Materials Project

description: TeI4 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two TeI4 ribbons oriented in the (0, 1, 0) direction. Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are two shorter (2.88 Å) and four longer (3.07 Å) Te–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Te4+ atoms.
DOI: 10.17188/1679012
title: Materials Data on Li4V3P8O29 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: 10.17188/1679013
title: Materials Data on Na8AsO3 by Materials Project

description: Na8AsO3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to one As2- and three equivalent O2- atoms to form a mixture of distorted corner and edge-sharing NaAsO3 tetrahedra. The Na–As bond length is 2.76 Å. All Na–O bond lengths are 2.55 Å. As2- is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms.
DOI: 10.17188/1679014
title: Materials Data on In2PdRh by Materials Project

description: RhPdIn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two RhPdIn2 ribbons oriented in the (1, 0, 0) direction. Rh is bonded in a linear geometry to two equivalent In atoms. Both Rh–In bond lengths are 2.58 Å. Pd is bonded in a linear geometry to two equivalent In atoms. Both Pd–In bond lengths are 2.59 Å. In is bonded in a linear geometry to one Rh and one Pd atom.