cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1741800
title: Materials Data on Na4P2NO16 by Materials Project

description: Na4P2NO14O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Na4P2NO14 framework. In the Na4P2NO14 framework, there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Na–O bond distances ranging from 2.26–2.58 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to one N and six O atoms. The Na–N bond length is 2.58 Å. There are a spread of Na–O bond distances ranging from 2.37–2.99 Å. P is bonded to one N and three O atoms to form corner-sharing PNO3 tetrahedra. The P–N bond length is 1.70 Å. There are a spread of P–O bond distances ranging from 1.50–1.57 Å. N is bonded in a 2-coordinate geometry to two equivalent Na and two equivalent P atoms. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Na and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Na and one P atom. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Na and one O atom. The O–O bond length is 1.26 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Na and one O atom. In the seventh O site, O is bonded to three Na and one P atom to form distorted edge-sharing ONa3P tetrahedra.
DOI: 10.17188/1741801
title: Materials Data on Co2PHO5 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: 10.17188/1741802
title: Materials Data on SnNF3 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: 10.17188/1741803
title: Materials Data on Fe2C2O7 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: 10.17188/1741804
title: Materials Data on CePm3 by Materials Project

description: Pm3Ce is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Ce atoms to form PmCe4Pm8 cuboctahedra that share corners with twelve equivalent PmCe4Pm8 cuboctahedra, edges with eight equivalent CePm12 cuboctahedra, edges with sixteen PmCe4Pm8 cuboctahedra, faces with four equivalent CePm12 cuboctahedra, and faces with fourteen PmCe4Pm8 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.66 Å) Pm–Pm bond lengths. All Pm–Ce bond lengths are 3.66 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Ce atoms to form PmCe4Pm8 cuboctahedra that share corners with four equivalent PmCe4Pm8 cuboctahedra, corners with eight equivalent CePm12 cuboctahedra, edges with twenty-four PmCe4Pm8 cuboctahedra, faces with six equivalent CePm12 cuboctahedra, and faces with twelve PmCe4Pm8 cuboctahedra. All Pm–Ce bond lengths are 3.64 Å. Ce is bonded to twelve Pm atoms to form CePm12 cuboctahedra that share corners with four equivalent CePm12 cuboctahedra, corners with eight equivalent PmCe4Pm8 cuboctahedra, edges with eight equivalent CePm12 cuboctahedra, edges with sixteen equivalent PmCe4Pm8 cuboctahedra, faces with four equivalent CePm12 cuboctahedra, and faces with fourteen PmCe4Pm8 cuboctahedra.
DOI: 10.17188/1741805
title: Materials Data on LiVAsO5 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: 10.17188/1741806
title: Materials Data on Er4BClO7 by Materials Project

description: Er4BO7Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Er–O bond distances ranging from 2.21–2.34 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Er–O bond distances ranging from 2.25–2.36 Å. The Er–Cl bond length is 2.94 Å. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.72 Å. In the fourth Er3+ site, Er3+ is bonded in a 6-coordinate geometry to five O2- and one Cl1- atom. There are a spread of Er–O bond distances ranging from 2.19–2.34 Å. The Er–Cl bond length is 2.86 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Er3+ atoms to form a mixture of distorted corner and edge-sharing OEr4 tetrahedra. In the second O2- site, O2- is bonded to four Er3+ atoms to form a mixture of corner and edge-sharing OEr4 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the sixth O2- site, O2- is bonded to four Er3+ atoms to form a mixture of corner and edge-sharing OEr4 tetrahedra. In the seventh O2- site, O2- is bonded to four Er3+ atoms to form a mixture of distorted corner and edge-sharing OEr4 tetrahedra. Cl1- is bonded in a 2-coordinate geometry to two Er3+ atoms.
DOI: 10.17188/1741807
title: Materials Data on Mn3CrO8 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: 10.17188/1741808
title: Materials Data on Rb2CeAuCl6 by Materials Project

description: Rb2CeAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent CeCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Rb–Cl bond lengths are 3.88 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.74 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent CeCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.75 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Ce3+, and one Au1+ atom.
DOI: 10.17188/1741809
title: Materials Data on TcRh by Materials Project

description: TcRh crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tc3- is bonded to six equivalent Tc3- and six equivalent Rh3+ atoms to form a mixture of distorted corner, edge, and face-sharing TcTc6Rh6 cuboctahedra. All Tc–Tc bond lengths are 2.74 Å. All Tc–Rh bond lengths are 2.70 Å. Rh3+ is bonded in a 6-coordinate geometry to six equivalent Tc3- atoms.
DOI: 10.17188/1741810
title: Materials Data on Yb2B6Ru by Materials Project

description: Yb2RuB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 12-coordinate geometry to fourteen B1- atoms. There are a spread of Yb–B bond distances ranging from 2.72–2.88 Å. In the second Yb2+ site, Yb2+ is bonded to twelve B1- atoms to form a mixture of edge and face-sharing YbB12 cuboctahedra. There are a spread of Yb–B bond distances ranging from 2.57–2.61 Å. Ru2+ is bonded in a 10-coordinate geometry to ten B1- atoms. There are a spread of Ru–B bond distances ranging from 2.37–2.40 Å. There are six inequivalent B1- sites. In the first B1- site, B1- is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Ru2+, and three B1- atoms. There are a spread of B–B bond distances ranging from 1.76–1.81 Å. In the second B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.80 Å) and one longer (1.83 Å) B–B bond length. In the third B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.71 Å) and one longer (1.80 Å) B–B bond length. In the fourth B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.79 Å) and one longer (1.84 Å) B–B bond length. In the fifth B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. In the sixth B1- site, B1- is bonded in a 9-coordinate geometry to six Yb2+ and three B1- atoms. The B–B bond length is 1.83 Å.
DOI: 10.17188/1741811
title: Materials Data on Li4Mn3CoO8 by Materials Project

description: Li4Mn3CoO8 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three equivalent MnO6 octahedra, corners with three equivalent CoO6 octahedra, an edgeedge with one CoO6 octahedra, edges with five MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Li–O bond distances ranging from 2.06–2.40 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–9°. There are a spread of Li–O bond distances ranging from 2.05–2.37 Å. There are two inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–9°. There are a spread of Mn–O bond distances ranging from 1.99–2.18 Å. In the second Mn+2.67+ site, Mn+2.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There is two shorter (1.95 Å) and four longer (1.97 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six LiO6 octahedra, and edges with six MnO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two shorter (2.08 Å) and four longer (2.14 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and three Mn+2.67+ atoms to form a mixture of edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second O2- site, O2- is bonded to three Li1+, two Mn+2.67+, and one Co4+ atom to form OLi3Mn2Co octahedra that share corners with six equivalent OLi3Mn2Co octahedra and edges with twelve OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the third O2- site, O2- is bonded to three Li1+, two equivalent Mn+2.67+, and one Co4+ atom to form a mixture of edge and corner-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 0–4°.
DOI: 10.17188/1741813
title: Materials Data on FeOF 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: 10.17188/1741814
title: Materials Data on Pr2InAg by Materials Project

description: Pr2AgIn is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent In atoms. All Pr–Ag bond lengths are 3.30 Å. All Pr–In bond lengths are 3.37 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1741815
title: Materials Data on Li2VFeS4 by Materials Project

description: Li2VFeS4 is Caswellsilverite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with six equivalent VS6 octahedra, corners with six equivalent FeS6 octahedra, edges with six equivalent LiS6 octahedra, a faceface with one VS6 octahedra, and a faceface with one FeS6 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. All Li–S bond lengths are 2.59 Å. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent VS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedral tilt angles are 46°. All V–S bond lengths are 2.40 Å. Fe3+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent FeS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Fe–S bond lengths are 2.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Fe3+ atoms. In the second S2- site, S2- is bonded to three equivalent Li1+ and three equivalent V3+ atoms to form a mixture of distorted edge and corner-sharing SLi3V3 pentagonal pyramids.
DOI: 10.17188/1741816
title: Materials Data on ZrFe(PO4)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: 10.17188/1741817
title: Materials Data on Tb2ZnSn3 by Materials Project

description: (TbSn)2ZnSn crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one 7440-31-5 molecule, two TbSn clusters, and one zinc molecule. In each TbSn cluster, Tb is bonded in a single-bond geometry to one Sn atom. The Tb–Sn bond length is 2.94 Å. Sn is bonded in a single-bond geometry to one Tb atom.
DOI: 10.17188/1741818
title: Materials Data on ThCl by Materials Project

description: ThCl crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Cl atoms. There are one shorter (2.89 Å) and three longer (3.00 Å) Th–Cl bond lengths. Cl is bonded in a 4-coordinate geometry to four equivalent Th atoms.
DOI: 10.17188/1741819
title: Materials Data on La2CdNi2 by Materials Project

description: La2Ni2Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are four shorter (2.96 Å) and two longer (3.06 Å) La–Ni bond lengths. All La–Cd bond lengths are 3.47 Å. Ni is bonded in a 9-coordinate geometry to six equivalent La, two equivalent Ni, and one Cd atom. Both Ni–Ni bond lengths are 2.47 Å. The Ni–Cd bond length is 3.01 Å. Cd is bonded in a distorted q6 geometry to eight equivalent La and two equivalent Ni atoms.
DOI: 10.17188/1741822
title: Materials Data on Ba2InBiO6 by Materials Project

description: Ba2BiInO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent InO6 octahedra, and faces with four equivalent BiO6 octahedra. All Ba–O bond lengths are 3.04 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–O bond lengths are 2.17 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent InO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.13 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one In3+, and one Bi5+ atom.
DOI: 10.17188/1741823
title: Materials Data on Ni16GeP5 by Materials Project

description: Ni16GeP5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and two P atoms. The Ni–Ge bond length is 2.43 Å. Both Ni–P bond lengths are 2.21 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.18–2.56 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.71 Å. There are a spread of Ni–P bond distances ranging from 2.30–2.56 Å. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.52 Å. There are two shorter (2.22 Å) and one longer (2.54 Å) Ni–P bond lengths. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.20–2.51 Å. In the sixth Ni site, Ni is bonded in a 3-coordinate geometry to one Ge and two P atoms. The Ni–Ge bond length is 2.40 Å. There are one shorter (2.20 Å) and one longer (2.27 Å) Ni–P bond lengths. In the seventh Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.51 Å. There are a spread of Ni–P bond distances ranging from 2.22–2.55 Å. In the eighth Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.47 Å. There are a spread of Ni–P bond distances ranging from 2.25–2.60 Å. Ge is bonded in a cuboctahedral geometry to twelve Ni atoms. There are three inequivalent P sites. In the first P site, P is bonded in a 10-coordinate geometry to ten Ni atoms. In the second P site, P is bonded in a 10-coordinate geometry to ten Ni atoms. In the third P site, P is bonded in a body-centered cubic geometry to eight Ni atoms.
DOI: 10.17188/1741824
title: Materials Data on Dy3Zr by Materials Project

description: Dy3Zr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Zr atoms to form DyDy8Zr4 cuboctahedra that share corners with twelve equivalent DyDy8Zr4 cuboctahedra, edges with eight equivalent ZrDy12 cuboctahedra, edges with sixteen DyDy8Zr4 cuboctahedra, faces with four equivalent ZrDy12 cuboctahedra, and faces with fourteen DyDy8Zr4 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.45 Å) Dy–Dy bond lengths. All Dy–Zr bond lengths are 3.44 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Zr atoms to form DyDy8Zr4 cuboctahedra that share corners with four equivalent DyDy8Zr4 cuboctahedra, corners with eight equivalent ZrDy12 cuboctahedra, edges with twenty-four DyDy8Zr4 cuboctahedra, faces with six equivalent ZrDy12 cuboctahedra, and faces with twelve DyDy8Zr4 cuboctahedra. All Dy–Zr bond lengths are 3.45 Å. Zr is bonded to twelve Dy atoms to form ZrDy12 cuboctahedra that share corners with four equivalent ZrDy12 cuboctahedra, corners with eight equivalent DyDy8Zr4 cuboctahedra, edges with eight equivalent ZrDy12 cuboctahedra, edges with sixteen equivalent DyDy8Zr4 cuboctahedra, faces with four equivalent ZrDy12 cuboctahedra, and faces with fourteen DyDy8Zr4 cuboctahedra.
DOI: 10.17188/1741825
title: Materials Data on Na3GdV2O8 by Materials Project

description: Na3Gd(VO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted single-bond geometry to one O2- atom. The Na–O bond length is 2.18 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.88 Å. Gd3+ is bonded to six equivalent O2- atoms to form GdO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Gd–O bond lengths are 2.27 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent GdO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is one shorter (1.68 Å) and three longer (1.76 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Na1+ and one V5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, one Gd3+, and one V5+ atom.
DOI: 10.17188/1741826
title: Materials Data on YCdRh2 by Materials Project

description: YRh2Cd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YRh2Cd ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Rh atoms. Both Y–Rh bond lengths are 2.30 Å. Rh is bonded in a linear geometry to one Y and one Cd atom. The Rh–Cd bond length is 2.69 Å. Cd is bonded in a linear geometry to two equivalent Rh atoms.