cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1715189
title: Materials Data on AgPd by Materials Project

description: PdAg crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pd is bonded to six equivalent Pd and six equivalent Ag atoms to form PdAg6Pd6 cuboctahedra that share corners with eighteen equivalent PdAg6Pd6 cuboctahedra, edges with six equivalent PdAg6Pd6 cuboctahedra, edges with twelve equivalent AgAg6Pd6 cuboctahedra, faces with eight equivalent PdAg6Pd6 cuboctahedra, and faces with twelve equivalent AgAg6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.86 Å. All Pd–Ag bond lengths are 2.87 Å. Ag is bonded to six equivalent Pd and six equivalent Ag atoms to form AgAg6Pd6 cuboctahedra that share corners with eighteen equivalent AgAg6Pd6 cuboctahedra, edges with six equivalent AgAg6Pd6 cuboctahedra, edges with twelve equivalent PdAg6Pd6 cuboctahedra, faces with eight equivalent AgAg6Pd6 cuboctahedra, and faces with twelve equivalent PdAg6Pd6 cuboctahedra. All Ag–Ag bond lengths are 2.86 Å.
DOI: 10.17188/1715190
title: Materials Data on Ba2YTlCo2O7 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: 10.17188/1715191
title: Materials Data on Ba3Li by Materials Project

description: LiBa3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded in a square co-planar geometry to four equivalent Ba atoms. All Li–Ba bond lengths are 4.11 Å. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to eight Ba atoms. There are four shorter (4.11 Å) and four longer (4.36 Å) Ba–Ba bond lengths. In the second Ba site, Ba is bonded to four equivalent Li and eight equivalent Ba atoms to form a mixture of distorted edge, face, and corner-sharing BaBa8Li4 cuboctahedra.
DOI: 10.17188/1715192
title: Materials Data on KBi3 by Materials Project

description: KBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent Bi atoms to form a mixture of corner and face-sharing KBi12 cuboctahedra. All K–Bi bond lengths are 3.59 Å. Bi is bonded in a square co-planar geometry to four equivalent K atoms.
DOI: 10.17188/1715193
title: Materials Data on K3SmSi2O7 by Materials Project

description: K3SmSi2O7 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.09 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.96 Å) and three longer (3.07 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.79 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six equivalent O2- atoms to form distorted SmO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra. All Sm–O bond lengths are 2.36 Å. In the second Sm3+ site, Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Sm–O bond lengths are 2.32 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SmO6 octahedra, a cornercorner with one SmO6 pentagonal pyramid, and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There is three shorter (1.64 Å) and one longer (1.69 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one Sm3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Sm3+, and one Si4+ atom.
DOI: 10.17188/1715194
title: Materials Data on NaCoO2 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: 10.17188/1715195
title: Materials Data on Li4TiCrO6 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: 10.17188/1715196
title: Materials Data on SmUTe6 by Materials Project

description: USmTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two USmTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.18–3.24 Å. Sm3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Sm–Te bond distances ranging from 3.27–3.33 Å. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Sm3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.10 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.10 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Sm3+ atom. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Sm3+ atoms. In the fifth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Sm3+ and four equivalent Te1- atoms.
DOI: 10.17188/1715197
title: Materials Data on Ho8Rh5C12 by Materials Project

description: Ho8Rh5C12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 5-coordinate geometry to nine C+3.33- atoms. There are a spread of Ho–C bond distances ranging from 2.40–2.79 Å. In the second Ho3+ site, Ho3+ is bonded in a 1-coordinate geometry to nine C+3.33- atoms. There are a spread of Ho–C bond distances ranging from 2.33–2.93 Å. In the third Ho3+ site, Ho3+ is bonded to six C+3.33- atoms to form HoC6 octahedra that share corners with four CHo5C octahedra and faces with two equivalent HoC6 octahedra. The corner-sharing octahedra tilt angles range from 43–105°. There are a spread of Ho–C bond distances ranging from 2.57–2.65 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 2-coordinate geometry to four C+3.33- atoms. There are two shorter (2.64 Å) and two longer (2.94 Å) Ho–C bond lengths. There are three inequivalent Rh+3.20+ sites. In the first Rh+3.20+ site, Rh+3.20+ is bonded in a linear geometry to two equivalent C+3.33- atoms. Both Rh–C bond lengths are 1.96 Å. In the second Rh+3.20+ site, Rh+3.20+ is bonded in a linear geometry to two C+3.33- atoms. There are one shorter (2.01 Å) and one longer (2.02 Å) Rh–C bond lengths. In the third Rh+3.20+ site, Rh+3.20+ is bonded in a water-like geometry to two C+3.33- atoms. There are one shorter (2.10 Å) and one longer (2.29 Å) Rh–C bond lengths. There are six inequivalent C+3.33- sites. In the first C+3.33- site, C+3.33- is bonded to five Ho3+ and one C+3.33- atom to form a mixture of distorted edge and corner-sharing CHo5C octahedra. The corner-sharing octahedra tilt angles range from 7–15°. The C–C bond length is 1.34 Å. In the second C+3.33- site, C+3.33- is bonded in a 4-coordinate geometry to six Ho3+, one Rh+3.20+, and one C+3.33- atom. The C–C bond length is 1.36 Å. In the third C+3.33- site, C+3.33- is bonded to five Ho3+ and one C+3.33- atom to form CHo5C octahedra that share corners with two equivalent HoC6 octahedra, corners with four equivalent CHo5C octahedra, and edges with eight CHo5C octahedra. The corner-sharing octahedra tilt angles range from 7–43°. In the fourth C+3.33- site, C+3.33- is bonded to four Ho3+, one Rh+3.20+, and one C+3.33- atom to form CHo4RhC octahedra that share a cornercorner with one CHo4RhC octahedra, corners with two equivalent HoC6 octahedra, and edges with two equivalent CHo4RhC octahedra. The corner-sharing octahedra tilt angles range from 0–105°. The C–C bond length is 1.30 Å. In the fifth C+3.33- site, C+3.33- is bonded in a 6-coordinate geometry to four Ho3+, one Rh+3.20+, and one C+3.33- atom. In the sixth C+3.33- site, C+3.33- is bonded in a 7-coordinate geometry to four Ho3+, two Rh+3.20+, and one C+3.33- atom.
DOI: 10.17188/1715198
title: Materials Data on Li2CrFeO4 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: 10.17188/1715199
title: Materials Data on Be(CoO2)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: 10.17188/1715200
title: Materials Data on Sm2GaCo2 by Materials Project

description: Sm2Co2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to six equivalent Co and four equivalent Ga atoms. There are four shorter (2.96 Å) and two longer (2.97 Å) Sm–Co bond lengths. There are two shorter (3.25 Å) and two longer (3.27 Å) Sm–Ga bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent Sm, one Co, and two equivalent Ga atoms. The Co–Co bond length is 2.35 Å. Both Co–Ga bond lengths are 2.59 Å. Ga is bonded to eight equivalent Sm and four equivalent Co atoms to form a mixture of edge and face-sharing GaSm8Co4 cuboctahedra.
DOI: 10.17188/1715201
title: Materials Data on GdTl(WO4)2 by Materials Project

description: GdTl(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Gd3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.84 Å. W6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.92–3.17 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent W6+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Gd3+, one W6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+, two equivalent W6+, and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+, one W6+, and one Tl1+ atom.
DOI: 10.17188/1715202
title: Materials Data on Ce5Ge2Pd by Materials Project

description: Ce5PdGe2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to one Ce, two Pd, and four Ge atoms. The Ce–Ce bond length is 2.72 Å. There are one shorter (3.23 Å) and one longer (3.28 Å) Ce–Pd bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.03–3.23 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to one Ce, two Pd, and four Ge atoms. The Ce–Ce bond length is 2.73 Å. There are one shorter (3.22 Å) and one longer (3.28 Å) Ce–Pd bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.04–3.22 Å. In the third Ce site, Ce is bonded in a 5-coordinate geometry to two Pd and three Ge atoms. There are one shorter (2.98 Å) and one longer (3.07 Å) Ce–Pd bond lengths. There are one shorter (3.03 Å) and two longer (3.30 Å) Ce–Ge bond lengths. In the fourth Ce site, Ce is bonded in a 5-coordinate geometry to two Pd and three Ge atoms. There are one shorter (2.98 Å) and one longer (3.06 Å) Ce–Pd bond lengths. There are one shorter (3.03 Å) and two longer (3.30 Å) Ce–Ge bond lengths. In the fifth Ce site, Ce is bonded in a 5-coordinate geometry to two Pd and three Ge atoms. Both Ce–Pd bond lengths are 2.99 Å. There are one shorter (3.14 Å) and two longer (3.28 Å) Ce–Ge bond lengths. In the sixth Ce site, Ce is bonded in a 5-coordinate geometry to two equivalent Pd and three Ge atoms. Both Ce–Pd bond lengths are 3.32 Å. There are a spread of Ce–Ge bond distances ranging from 2.97–3.14 Å. In the seventh Ce site, Ce is bonded in a 5-coordinate geometry to two equivalent Pd and three Ge atoms. Both Ce–Pd bond lengths are 3.32 Å. There are a spread of Ce–Ge bond distances ranging from 2.97–3.13 Å. In the eighth Ce site, Ce is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ce–Ge bond distances ranging from 2.99–3.31 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to nine Ce atoms. In the second Pd site, Pd is bonded in a 9-coordinate geometry to nine Ce atoms. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms.
DOI: 10.17188/1715203
title: Materials Data on K2LuAuCl6 by Materials Project

description: K2LuAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent LuCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All K–Cl bond lengths are 3.76 Å. Lu3+ is bonded to six equivalent Cl1- atoms to form LuCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–Cl bond lengths are 2.58 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent LuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.74 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Lu3+, and one Au1+ atom.
DOI: 10.17188/1715204
title: Materials Data on Cs3HgBr5 by Materials Project

description: Cs3HgBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.58–3.89 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.68–4.23 Å. Hg2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.64–2.71 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to five Cs1+ and one Hg2+ atom. In the second Br1- site, Br1- is bonded to six Cs1+ atoms to form distorted face-sharing BrCs6 octahedra. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to five Cs1+ and one Hg2+ atom. In the fourth Br1- site, Br1- is bonded in a 6-coordinate geometry to five Cs1+ and one Hg2+ atom.
DOI: 10.17188/1715205
title: Materials Data on Co(CN)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: 10.17188/1715206
title: Materials Data on Tm4Fe3Ge4 by Materials Project

description: Tm4Fe3Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to two equivalent Fe and four Ge atoms. Both Tm–Fe bond lengths are 3.21 Å. There are a spread of Tm–Ge bond distances ranging from 2.73–3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to six Ge atoms. There are two shorter (2.44 Å) and four longer (2.54 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Tm atoms. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Tm and two equivalent Fe atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Tm, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1715208
title: Materials Data on K3HoF6 by Materials Project

description: K3HoF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with six equivalent HoF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of K–F bond distances ranging from 2.60–2.65 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.68–3.34 Å. Ho3+ is bonded to six F1- atoms to form HoF6 octahedra that share corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are four shorter (2.17 Å) and two longer (2.18 Å) Ho–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four K1+ and one Ho3+ atom. In the second F1- site, F1- is bonded to three K1+ and one Ho3+ atom to form distorted corner-sharing FK3Ho tetrahedra. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four K1+ and one Ho3+ atom.
DOI: 10.17188/1715209
title: Materials Data on InSnHg2 by Materials Project

description: Hg2InSn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hg2InSn ribbons oriented in the (1, 0, 0) direction. Hg is bonded in a linear geometry to one In and one Sn atom. The Hg–In bond length is 3.02 Å. The Hg–Sn bond length is 2.88 Å. In is bonded in a linear geometry to two equivalent Hg atoms. Sn is bonded in a linear geometry to two equivalent Hg atoms.
DOI: 10.17188/1715211
title: Materials Data on KFe5N4 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: 10.17188/1715212
title: Materials Data on Mg6NbC by Materials Project

description: Mg6NbC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to nine Mg and two equivalent Nb atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.37 Å. There are one shorter (3.07 Å) and one longer (3.26 Å) Mg–Nb bond lengths. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are four shorter (2.89 Å) and two longer (3.02 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a single-bond geometry to six Mg and one C atom. The Mg–C bond length is 2.12 Å. In the fourth Mg site, Mg is bonded in a single-bond geometry to six Mg and one C atom. The Mg–C bond length is 2.21 Å. Nb is bonded in a linear geometry to four equivalent Mg and two equivalent C atoms. Both Nb–C bond lengths are 2.21 Å. C is bonded to three Mg and two equivalent Nb atoms to form corner-sharing CMg3Nb2 square pyramids.
DOI: 10.17188/1715213
title: Materials Data on Nb3Bi by Materials Project

description: Nb3Bi crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to two equivalent Nb and two equivalent Bi atoms. Both Nb–Nb bond lengths are 2.77 Å. Both Nb–Bi bond lengths are 2.99 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to eight Nb atoms. All Nb–Nb bond lengths are 3.11 Å. Bi is bonded in a 4-coordinate geometry to four equivalent Nb atoms.
DOI: 10.17188/1715215
title: Materials Data on La7ZnNi2 by Materials Project

description: La7Ni2Zn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted square co-planar geometry to four equivalent Ni atoms. All La–Ni bond lengths are 2.96 Å. In the second La site, La is bonded in a distorted single-bond geometry to one Ni atom. The La–Ni bond length is 3.40 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Zn atoms. Both La–Ni bond lengths are 2.94 Å. Both La–Zn bond lengths are 3.26 Å. Ni is bonded in a 7-coordinate geometry to seven La atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1715216
title: Materials Data on CdFeRh2 by Materials Project

description: FeRh2Cd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two FeRh2Cd ribbons oriented in the (1, 0, 0) direction. Fe is bonded in a linear geometry to two equivalent Rh atoms. Both Fe–Rh bond lengths are 2.15 Å. Rh is bonded in a linear geometry to one Fe and one Cd atom. The Rh–Cd bond length is 2.73 Å. Cd is bonded in a linear geometry to two equivalent Rh atoms.