cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1706756
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 is Magnesium tetraboride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.10 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and ten Si atoms. There are one shorter (3.07 Å) and one longer (3.14 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.75–3.19 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.16 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to three Mg and nine Si atoms. The Mg–Mg bond length is 3.18 Å. There are a spread of Mg–Si bond distances ranging from 2.77–3.17 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.39–2.56 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to four Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.39–2.62 Å. In the third Si site, Si is bonded in a 1-coordinate geometry to six Mg and three Si atoms. There are one shorter (2.40 Å) and one longer (2.88 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.41–2.57 Å. In the fifth Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. The Si–Si bond length is 2.43 Å. In the sixth Si site, Si is bonded in a 1-coordinate geometry to three Mg and four Si atoms. The Si–Si bond length is 2.46 Å. In the seventh Si site, Si is bonded in a 1-coordinate geometry to four Mg and four Si atoms. The Si–Si bond length is 2.53 Å. In the eighth Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms.
DOI: 10.17188/1706757
title: Materials Data on Mg16TiAl12 by Materials Project

description: Mg16TiAl12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Ti, and six equivalent Al atoms. All Mg–Mg bond lengths are 3.04 Å. The Mg–Ti bond length is 3.11 Å. All Mg–Al bond lengths are 3.06 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.10 Å) and four longer (3.14 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.90–3.16 Å. Ti is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Ti–Al bond lengths are 3.16 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Ti, and three equivalent Al atoms. There are one shorter (2.65 Å) and two longer (2.73 Å) Al–Al bond lengths.
DOI: 10.17188/1706758
title: Materials Data on Ta2FeRu by Materials Project

description: Ta2RuFe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2RuFe ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Ru and one Fe atom. The Ta–Ru bond length is 2.24 Å. The Ta–Fe bond length is 2.10 Å. Ru is bonded in a linear geometry to two equivalent Ta atoms. Fe is bonded in a linear geometry to two equivalent Ta atoms.
DOI: 10.17188/1706759
title: Materials Data on NaBiTe2 by Materials Project

description: NaBiTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Te2- atoms to form NaTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Te bond lengths are 3.29 Å. Bi3+ is bonded to six equivalent Te2- atoms to form BiTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Bi–Te bond lengths are 3.17 Å. Te2- is bonded to three equivalent Na1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeNa3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1706760
title: Materials Data on La2GaNiO6 by Materials Project

description: La2NiGaO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.77 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Ni–O bond lengths are 1.99 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Ga–O bond lengths are 1.98 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ni3+, and one Ga3+ atom.
DOI: 10.17188/1706761
title: Materials Data on U8CoS17 by Materials Project

description: U8CoS17 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 S2- atoms. There are a spread of U–S bond distances ranging from 2.70–2.88 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.71–2.79 Å. In the third U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.68–2.96 Å. Co2+ is bonded in an octahedral geometry to six S2- atoms. There are two shorter (2.24 Å) and four longer (2.39 Å) Co–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded to four U4+ atoms to form distorted SU4 trigonal pyramids that share corners with two equivalent SU6 octahedra, corners with six equivalent SU3Co tetrahedra, edges with two equivalent SU3Co tetrahedra, and an edgeedge with one SU4 trigonal pyramid. The corner-sharing octahedral tilt angles are 38°. In the second S2- site, S2- is bonded to six U4+ atoms to form SU6 octahedra that share corners with four equivalent SU3Co tetrahedra and corners with four equivalent SU4 trigonal pyramids. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the fourth S2- site, S2- is bonded to three U4+ and one Co2+ atom to form distorted SU3Co tetrahedra that share a cornercorner with one SU6 octahedra, corners with five equivalent SU3Co tetrahedra, corners with three equivalent SU4 trigonal pyramids, edges with two equivalent SU3Co tetrahedra, and an edgeedge with one SU4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three U4+ and one Co2+ atom. In the sixth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four U4+ atoms.
DOI: 10.17188/1706762
title: Materials Data on BaCaTl2 by Materials Project

description: BaCaTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BaCaTl2 ribbons oriented in the (1, 0, 0) direction. Ba is bonded in a linear geometry to two equivalent Tl atoms. Both Ba–Tl bond lengths are 3.13 Å. Ca is bonded in a linear geometry to two equivalent Tl atoms. Both Ca–Tl bond lengths are 2.97 Å. Tl is bonded in a linear geometry to one Ba and one Ca atom.
DOI: 10.17188/1706763
title: Materials Data on SrSnN2 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: 10.17188/1706764
title: Materials Data on Ta2O5 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: 10.17188/1706765
title: Materials Data on Li3Fe(PO4)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: 10.17188/1706766
title: Materials Data on MgCd2 by Materials Project

description: MgCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight Cd atoms to form distorted MgMg4Cd8 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with eighteen CdMg6Cd6 cuboctahedra, faces with ten equivalent MgMg4Cd8 cuboctahedra, and faces with ten CdMg6Cd6 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are two shorter (3.10 Å) and six longer (3.13 Å) Mg–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Mg and six Cd atoms to form distorted CdMg6Cd6 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven equivalent MgMg4Cd8 cuboctahedra, edges with eleven CdMg6Cd6 cuboctahedra, faces with six equivalent MgMg4Cd8 cuboctahedra, and faces with fourteen CdMg6Cd6 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.14–3.22 Å. In the second Cd site, Cd is bonded to two equivalent Mg and ten Cd atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven CdMg6Cd6 cuboctahedra, edges with eleven equivalent MgMg4Cd8 cuboctahedra, faces with four equivalent MgMg4Cd8 cuboctahedra, and faces with sixteen CdMg6Cd6 cuboctahedra. There are four shorter (3.16 Å) and two longer (3.22 Å) Cd–Cd bond lengths.
DOI: 10.17188/1706768
title: Materials Data on V7O4 by Materials Project

description: V7O4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one V7O4 sheet oriented in the (0, 0, 1) direction. there are four inequivalent V sites. In the first V site, V is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (2.23 Å) and one longer (2.24 Å) V–O bond lengths. In the second V site, V is bonded in a single-bond geometry to one O atom. The V–O bond length is 2.11 Å. In the third V site, V is bonded to five O atoms to form VO5 square pyramids that share corners with two equivalent VO6 octahedra, edges with three equivalent VO6 octahedra, and edges with four equivalent VO5 square pyramids. The corner-sharing octahedral tilt angles are 2°. There are a spread of V–O bond distances ranging from 2.21–2.27 Å. In the fourth V site, V is bonded to six O atoms to form VO6 octahedra that share corners with four equivalent VO5 square pyramids, edges with two equivalent VO6 octahedra, and edges with six equivalent VO5 square pyramids. There are two shorter (2.16 Å) and four longer (2.21 Å) V–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to six V atoms to form a mixture of edge and corner-sharing OV6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O site, O is bonded to six V atoms to form a mixture of edge and corner-sharing OV6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.
DOI: 10.17188/1706769
title: Materials Data on UTaC2 by Materials Project

description: UTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U3+ is bonded to six equivalent C4- atoms to form UC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 5°. All U–C bond lengths are 2.43 Å. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent UC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Ta–C bond lengths are 2.27 Å. C4- is bonded to three equivalent U3+ and three equivalent Ta5+ atoms to form a mixture of edge and corner-sharing CU3Ta3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1706770
title: Materials Data on MnPt2 by Materials Project

description: MnPt2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one MnPt2 sheet oriented in the (0, 0, 1) direction. Mn4+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt2- atoms. All Mn–Pt bond lengths are 2.64 Å. Pt2- is bonded in a 12-coordinate geometry to three equivalent Mn4+ atoms.
DOI: 10.17188/1706772
title: Materials Data on Cs3AlTe3 by Materials Project

description: Cs3AlTe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.83–4.41 Å. In the second Cs1+ site, Cs1+ is bonded to seven Te2- atoms to form distorted CsTe7 pentagonal bipyramids that share corners with four equivalent CsTe7 pentagonal bipyramids, corners with four equivalent AlTe4 tetrahedra, edges with three equivalent CsTe7 pentagonal bipyramids, an edgeedge with one AlTe4 tetrahedra, and a faceface with one AlTe4 tetrahedra. There are a spread of Cs–Te bond distances ranging from 3.80–4.44 Å. In the third Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.73–4.10 Å. Al3+ is bonded to four Te2- atoms to form AlTe4 tetrahedra that share corners with four equivalent CsTe7 pentagonal bipyramids, an edgeedge with one CsTe7 pentagonal bipyramid, an edgeedge with one AlTe4 tetrahedra, and a faceface with one CsTe7 pentagonal bipyramid. There are a spread of Al–Te bond distances ranging from 2.63–2.73 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 2-coordinate geometry to four Cs1+ and two equivalent Al3+ atoms. In the second Te2- site, Te2- is bonded in a 1-coordinate geometry to seven Cs1+ and one Al3+ atom. In the third Te2- site, Te2- is bonded in a 1-coordinate geometry to seven Cs1+ and one Al3+ atom.
DOI: 10.17188/1706773
title: Materials Data on Li6V3P8O29 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: 10.17188/1706774
title: Materials Data on BaYbAl2SiN5O2 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: 10.17188/1706775
title: Materials Data on TiS5(ClO3)2 by Materials Project

description: TiS4O5Cl2SO is alpha carbon monoxide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sulfur monoxide molecules and two TiS4O5Cl2 clusters. In each TiS4O5Cl2 cluster, Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ti–O bond distances ranging from 1.65–2.07 Å. There are four inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a single-bond geometry to one O2- atom. The S–O bond length is 1.52 Å. In the second S2+ site, S2+ is bonded in a distorted single-bond geometry to one O2- and one Cl1- atom. The S–O bond length is 1.53 Å. The S–Cl bond length is 2.78 Å. In the third S2+ site, S2+ is bonded in a water-like geometry to one O2- and one Cl1- atom. The S–O bond length is 1.53 Å. The S–Cl bond length is 2.08 Å. In the fourth S2+ site, S2+ is bonded in a single-bond geometry to one O2- atom. The S–O bond length is 1.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one S2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one S2+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Ti4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one S2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom.
DOI: 10.17188/1706776
title: Materials Data on Li2MnVP2(O4F)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: 10.17188/1706777
title: Materials Data on TeBr4 by Materials Project

description: TeBr4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four TeBr4 clusters. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six Br1- atoms to form edge-sharing TeBr6 octahedra. There are a spread of Te–Br bond distances ranging from 2.54–3.11 Å. In the second Te4+ site, Te4+ is bonded to six Br1- atoms to form edge-sharing TeBr6 octahedra. There are a spread of Te–Br bond distances ranging from 2.55–3.09 Å. There are eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the eighth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Te4+ atoms.
DOI: 10.17188/1706778
title: Materials Data on SiMoO3 by Materials Project

description: MoSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mo2+ is bonded to twelve equivalent O2- atoms to form MoO12 cuboctahedra that share corners with twelve equivalent MoO12 cuboctahedra, faces with six equivalent MoO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Mo–O bond lengths are 2.58 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent MoO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.82 Å. O2- is bonded in a distorted linear geometry to four equivalent Mo2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1706779
title: Materials Data on Ca4CoN4 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: 10.17188/1706780
title: Materials Data on LiV6O7F5 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: 10.17188/1706781
title: Materials Data on Li2CoCuO4 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: 10.17188/1706782
title: Materials Data on Li3TiV2O6 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: 10.17188/1706783
title: Materials Data on Mg5Pb by Materials Project

description: Mg5Pb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with fourteen MgMg12 cuboctahedra, edges with eight equivalent PbMg10 cuboctahedra, faces with two equivalent PbMg10 cuboctahedra, and faces with four equivalent MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.34 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Pb atoms. All Mg–Pb bond lengths are 3.25 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Mg and two equivalent Pb atoms. Both Mg–Pb bond lengths are 3.23 Å. In the fourth Mg site, Mg is bonded to four equivalent Mg and two equivalent Pb atoms to form distorted MgMg4Pb2 cuboctahedra that share corners with twelve MgMg12 cuboctahedra, edges with two equivalent MgMg4Pb2 cuboctahedra, and faces with two equivalent MgMg4Pb2 cuboctahedra. Both Mg–Pb bond lengths are 3.30 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Pb atoms. Both Mg–Pb bond lengths are 3.25 Å. Pb is bonded to ten Mg atoms to form distorted PbMg10 cuboctahedra that share corners with four equivalent PbMg10 cuboctahedra, edges with eight equivalent MgMg12 cuboctahedra, faces with two equivalent MgMg12 cuboctahedra, and faces with four equivalent PbMg10 cuboctahedra.
DOI: 10.17188/1706784
title: Materials Data on AgSnPd2 by Materials Project

description: Pd2AgSn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2AgSn ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to one Ag and one Sn atom. The Pd–Ag bond length is 2.67 Å. The Pd–Sn bond length is 2.42 Å. Ag is bonded in a linear geometry to two equivalent Pd atoms. Sn is bonded in a linear geometry to two equivalent Pd atoms.