cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1749701
title: Materials Data on HoAlCu4 by Materials Project

description: HoCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (2.98 Å) and twelve longer (3.27 Å) Ho–Cu bond lengths. All Ho–Al bond lengths are 2.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Ho, six equivalent Cu, and three equivalent Al atoms to form CuHo3Al3Cu6 cuboctahedra that share corners with nine equivalent AlHo3Cu9 cuboctahedra, corners with twelve equivalent CuHo4Al2Cu6 cuboctahedra, edges with six equivalent CuHo3Al3Cu6 cuboctahedra, faces with three equivalent AlHo3Cu9 cuboctahedra, and faces with twenty CuHo3Al3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.49 Å. All Cu–Al bond lengths are 2.98 Å. In the second Cu site, Cu is bonded to four equivalent Ho, six Cu, and two equivalent Al atoms to form distorted CuHo4Al2Cu6 cuboctahedra that share corners with four equivalent AlHo3Cu9 cuboctahedra, corners with twenty CuHo3Al3Cu6 cuboctahedra, edges with ten equivalent CuHo4Al2Cu6 cuboctahedra, faces with six equivalent AlHo3Cu9 cuboctahedra, and faces with sixteen CuHo3Al3Cu6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.60 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.50 Å. Al is bonded to three equivalent Ho and nine Cu atoms to form distorted AlHo3Cu9 cuboctahedra that share corners with twenty-one CuHo3Al3Cu6 cuboctahedra, edges with six equivalent AlHo3Cu9 cuboctahedra, faces with two equivalent AlHo3Cu9 cuboctahedra, and faces with twenty-one CuHo3Al3Cu6 cuboctahedra.
DOI: 10.17188/1749702
title: Materials Data on Nb6SnSe8 by Materials Project

description: Nb6SnSe8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Nb2+ is bonded to six Se2- atoms to form a mixture of distorted edge, corner, and face-sharing NbSe6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of Nb–Se bond distances ranging from 2.61–2.82 Å. Sn4+ is bonded in a distorted hexagonal planar geometry to six equivalent Se2- atoms. All Sn–Se bond lengths are 3.27 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent Nb2+ atoms to form distorted face-sharing SeNb6 pentagonal pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Nb2+ and one Sn4+ atom.
DOI: 10.17188/1749703
title: Materials Data on Ag(BiTe2)3 by Materials Project

description: Ag(BiTe2)2Bi(Te)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two bismuth molecules; four tellurium molecules; and one Ag(BiTe2)2 sheet oriented in the (0, 0, 1) direction. In the Ag(BiTe2)2 sheet, Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Te2- atoms. All Ag–Te bond lengths are 2.82 Å. Bi+3.67+ is bonded in a linear geometry to two equivalent Te2- atoms. Both Bi–Te bond lengths are 2.88 Å. Te2- is bonded in a 3-coordinate geometry to one Ag1+, one Bi+3.67+, and one Te2- atom. The Te–Te bond length is 2.92 Å.
DOI: 10.17188/1749704
title: Materials Data on VCr2Ni3(PO4)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: 10.17188/1749705
title: Materials Data on Nb2CN by Materials Project

description: Nb2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nb+3.50+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing NbC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.19 Å. All Nb–N bond lengths are 2.31 Å. C4- is bonded to six equivalent Nb+3.50+ atoms to form CNb6 octahedra that share corners with six equivalent NNb6 octahedra, edges with six equivalent CNb6 octahedra, and edges with six equivalent NNb6 octahedra. The corner-sharing octahedral tilt angles are 4°. N3- is bonded to six equivalent Nb+3.50+ atoms to form NNb6 octahedra that share corners with six equivalent CNb6 octahedra, edges with six equivalent CNb6 octahedra, and edges with six equivalent NNb6 octahedra. The corner-sharing octahedral tilt angles are 4°.
DOI: 10.17188/1749706
title: Materials Data on K2Mn3H10S4O21 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: 10.17188/1749707
title: Materials Data on Li2InCuCl6 by Materials Project

description: (Li)2CuInCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one CuInCl6 framework. In the CuInCl6 framework, Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.46 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.55 Å. Cl1- is bonded in a linear geometry to one Cu1+ and one In3+ atom.
DOI: 10.17188/1749708
title: Materials Data on FeHO2 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: 10.17188/1749709
title: Materials Data on K2CoH12(SeO7)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: 10.17188/1749710
title: Materials Data on Cs2Cr4O13 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: 10.17188/1749711
title: Materials Data on Li4MnFe3(BO3)4 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: 10.17188/1749712
title: Materials Data on LuCrO3 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: 10.17188/1749714
title: Materials Data on LiTl6Si2O7 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: 10.17188/1749715
title: Materials Data on Rb3FeF6 by Materials Project

description: Rb3FeF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to eight F1- atoms to form distorted RbF8 hexagonal bipyramids that share corners with four equivalent RbF8 hexagonal bipyramids, edges with six equivalent RbF8 hexagonal bipyramids, and edges with four equivalent FeF6 octahedra. There are four shorter (2.73 Å) and four longer (3.30 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.72 Å. Fe3+ is bonded to six F1- atoms to form FeF6 octahedra that share edges with eight equivalent RbF8 hexagonal bipyramids. There is four shorter (1.94 Å) and two longer (2.04 Å) Fe–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Fe3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to five Rb1+ and one Fe3+ atom.
DOI: 10.17188/1749716
title: Materials Data on LiZnInF6 by Materials Project

description: LiZnInF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with two equivalent InF6 octahedra, corners with six equivalent ZnF6 octahedra, and edges with two equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Li–F bond distances ranging from 2.03–2.19 Å. Zn2+ is bonded to six F1- atoms to form ZnF6 octahedra that share corners with four equivalent InF6 octahedra, corners with six equivalent LiF6 octahedra, and an edgeedge with one InF6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Zn–F bond distances ranging from 2.05–2.12 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent LiF6 octahedra and edges with three equivalent ZnF6 octahedra. The corner-sharing octahedral tilt angles are 57°. All In–F bond lengths are 2.11 Å. In the second In3+ site, In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent ZnF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. All In–F bond lengths are 2.11 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Zn2+, and one In3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Zn2+, and one In3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Zn2+, and one In3+ atom.
DOI: 10.17188/1749717
title: Materials Data on K2Co2(SO4)3 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: 10.17188/1749718
title: Materials Data on DyTmIn2 by Materials Project

description: TmDyIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Tm–In bond lengths are 3.24 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Dy–In bond lengths are 3.24 Å. In is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Dy atoms.
DOI: 10.17188/1749719
title: Materials Data on NbVO5 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: 10.17188/1749720
title: Materials Data on MgVO3 by Materials Project

description: MgVO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (1.96 Å) and four longer (2.07 Å) Mg–O bond lengths. V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent V4+ atoms to form a mixture of distorted edge and corner-sharing OMg2V2 trigonal pyramids. In the second O2- site, O2- is bonded in a linear geometry to one Mg2+ and one V4+ atom.
DOI: 10.17188/1749721
title: Materials Data on DyFeGe2 by Materials Project

description: DyFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Fe and ten Ge atoms. All Dy–Fe bond lengths are 3.26 Å. There are a spread of Dy–Ge bond distances ranging from 3.10–3.22 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.29–2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Dy, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Fe atoms.
DOI: 10.17188/1749724
title: Materials Data on Cd43Pd8 by Materials Project

description: Pd8Cd43 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.90–3.10 Å. In the second Pd site, Pd is bonded in a 11-coordinate geometry to eleven Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.88–3.12 Å. In the third Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.87–3.10 Å. In the fourth Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.89–3.14 Å. There are thirteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to three equivalent Pd and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.04 Å. In the second Cd site, Cd is bonded in a 3-coordinate geometry to three Pd and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.04 Å. In the third Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Pd and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.87–3.53 Å. In the fourth Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Pd and eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.89–3.57 Å. In the fifth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.95–3.37 Å. In the sixth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.00–3.39 Å. In the seventh Cd site, Cd is bonded in a 11-coordinate geometry to three Pd and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.92–3.04 Å. In the eighth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Pd and four Cd atoms. In the ninth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Pd and five Cd atoms. In the tenth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Pd and five Cd atoms. In the eleventh Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and five Cd atoms. In the twelfth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and five Cd atoms. In the thirteenth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and five Cd atoms.
DOI: 10.17188/1749725
title: Materials Data on ZrSn by Materials Project

description: ZrSn crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to six Zr and six Sn atoms. There are a spread of Zr–Zr bond distances ranging from 3.15–3.38 Å. There are a spread of Zr–Sn bond distances ranging from 3.12–3.41 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to four equivalent Zr and six Sn atoms. There are four shorter (3.11 Å) and two longer (3.27 Å) Zr–Sn bond lengths. In the third Zr site, Zr is bonded in a 6-coordinate geometry to four equivalent Zr and six Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.08–3.27 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six Zr atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Zr atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to six Zr atoms.
DOI: 10.17188/1749726
title: Materials Data on LiRuN2 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: 10.17188/1749727
title: Materials Data on MgMnSiO4 by Materials Project

description: MgMnSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent MnO6 octahedra, corners with two equivalent SiO4 tetrahedra, edges with two equivalent MgO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–63°. There are a spread of Mg–O bond distances ranging from 2.09–2.16 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with four equivalent MnO6 octahedra, corners with four equivalent SiO4 tetrahedra, edges with two equivalent MgO6 octahedra, and an edgeedge with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–63°. There are a spread of Mn–O bond distances ranging from 2.17–2.34 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent MnO6 octahedra, an edgeedge with one MnO6 octahedra, and edges with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 53–64°. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg2+, one Mn2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Mn2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+, two equivalent Mn2+, and one Si4+ atom.
DOI: 10.17188/1749728
title: Materials Data on Y10Cd3Ni by Materials Project

description: Y10NiCd3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Cd atoms. All Y–Cd bond lengths are 3.12 Å. In the second Y site, Y is bonded in a 2-coordinate geometry to two equivalent Cd atoms. Both Y–Cd bond lengths are 3.15 Å. In the third Y site, Y is bonded in a distorted single-bond geometry to one Ni and three equivalent Cd atoms. The Y–Ni bond length is 2.75 Å. There are one shorter (3.44 Å) and two longer (3.55 Å) Y–Cd bond lengths. Ni is bonded in a 6-coordinate geometry to six equivalent Y atoms. Cd is bonded in a 12-coordinate geometry to ten Y and two equivalent Cd atoms. Both Cd–Cd bond lengths are 3.36 Å.
DOI: 10.17188/1749729
title: Materials Data on Be2CoPd by Materials Project

description: Be2CoPd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Be2CoPd ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to one Co and one Pd atom. The Be–Co bond length is 2.12 Å. The Be–Pd bond length is 2.11 Å. Co is bonded in a linear geometry to two equivalent Be atoms. Pd is bonded in a linear geometry to two equivalent Be atoms.
DOI: 10.17188/1749731
title: Materials Data on K2NiH12(SeO7)2 by Materials Project

description: K2NiH12(SeO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.36 Å. Ni2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ni–O bond distances ranging from 2.03–2.11 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one H1+, and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ni2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one H1+, and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one K1+, one H1+, and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Ni2+, and two H1+ atoms. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Ni2+, and two H1+ atoms.
DOI: 10.17188/1749732
title: Materials Data on Li2V(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: 10.17188/1749733
title: Materials Data on NaCd2Pd by Materials Project

description: NaPdCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaPdCd2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Cd atoms. Both Na–Cd bond lengths are 3.06 Å. Pd is bonded in a linear geometry to two equivalent Cd atoms. Both Pd–Cd bond lengths are 2.62 Å. Cd is bonded in a linear geometry to one Na and one Pd atom.