cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1355465
title: Materials Data on U2W2C3 by Materials Project

description: U2W2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U4+ is bonded in a pentagonal planar geometry to five C4- atoms. There are three shorter (2.44 Å) and two longer (2.49 Å) U–C bond lengths. W2+ is bonded to four C4- atoms to form a mixture of corner and edge-sharing WC4 trigonal pyramids. There are a spread of W–C bond distances ranging from 2.09–2.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent U4+ and three equivalent W2+ atoms to form CU3W3 octahedra that share corners with six equivalent CU4W2 octahedra, edges with six equivalent CU3W3 octahedra, and a faceface with one CU4W2 octahedra. The corner-sharing octahedra tilt angles range from 40–60°. In the second C4- site, C4- is bonded to four equivalent U4+ and two equivalent W2+ atoms to form CU4W2 octahedra that share corners with twelve equivalent CU3W3 octahedra, edges with two equivalent CU4W2 octahedra, and faces with two equivalent CU3W3 octahedra. The corner-sharing octahedra tilt angles range from 40–60°.
DOI: 10.17188/1355466
title: Materials Data on CdAsPt5 by Materials Project

description: PtCdAsPt4 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one cadmium molecule; one platinum molecule; and one AsPt4 sheet oriented in the (0, 0, 1) direction. In the AsPt4 sheet, Pt+0.20+ is bonded in a water-like geometry to two equivalent As3- atoms. Both Pt–As bond lengths are 2.54 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Pt+0.20+ atoms.
DOI: 10.17188/1355467
title: Materials Data on Ti2GaN by Materials Project

description: Ti2GaN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent N atoms. All Ti–Ga bond lengths are 2.78 Å. All Ti–N bond lengths are 2.09 Å. Ga is bonded to six equivalent Ti atoms to form distorted GaTi6 cuboctahedra that share corners with six equivalent NTi6 octahedra, edges with six equivalent GaTi6 cuboctahedra, and edges with six equivalent NTi6 octahedra. The corner-sharing octahedral tilt angles are 18°. N is bonded to six equivalent Ti atoms to form NTi6 octahedra that share corners with six equivalent GaTi6 cuboctahedra, edges with six equivalent GaTi6 cuboctahedra, and edges with six equivalent NTi6 octahedra.
DOI: 10.17188/1355468
title: Materials Data on Ti2NiSe4 by Materials Project

description: Ti2NiSe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ti3+ is bonded to six Se2- atoms to form TiSe6 octahedra that share corners with six equivalent NiSe6 octahedra, edges with six equivalent TiSe6 octahedra, and a faceface with one NiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Ti–Se bond distances ranging from 2.56–2.62 Å. Ni2+ is bonded to six Se2- atoms to form NiSe6 octahedra that share corners with twelve equivalent TiSe6 octahedra, edges with two equivalent NiSe6 octahedra, and faces with two equivalent TiSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are two shorter (2.50 Å) and four longer (2.51 Å) Ni–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to three equivalent Ti3+ and one Ni2+ atom. In the second Se2- site, Se2- is bonded to three equivalent Ti3+ and two equivalent Ni2+ atoms to form a mixture of distorted edge and corner-sharing SeTi3Ni2 square pyramids.
DOI: 10.17188/1355469
title: Materials Data on Ti2VSe4 by Materials Project

description: VTi2Se4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ti3+ is bonded to six Se2- atoms to form TiSe6 octahedra that share corners with six equivalent VSe6 octahedra, edges with six equivalent TiSe6 octahedra, and a faceface with one VSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Ti–Se bond distances ranging from 2.54–2.75 Å. V2+ is bonded to six Se2- atoms to form VSe6 octahedra that share corners with twelve equivalent TiSe6 octahedra, edges with two equivalent VSe6 octahedra, and faces with two equivalent TiSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are two shorter (2.55 Å) and four longer (2.59 Å) V–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Ti3+ and two equivalent V2+ atoms. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ti3+ and one V2+ atom.
DOI: 10.17188/1355470
title: Materials Data on CuGe3 by Materials Project

description: Ge3Cu is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu is bonded in a 3-coordinate geometry to eleven Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.51–2.95 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to four equivalent Cu and six Ge atoms. There are three shorter (2.85 Å) and three longer (2.95 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to three equivalent Cu and six equivalent Ge atoms.
DOI: 10.17188/1355471
title: Materials Data on Fe(NiSe2)2 by Materials Project

description: Fe(NiSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Fe3+ is bonded to six Se2- atoms to form FeSe6 octahedra that share corners with twelve equivalent NiSe6 octahedra, edges with two equivalent FeSe6 octahedra, and faces with two equivalent NiSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.43 Å) and four longer (2.48 Å) Fe–Se bond lengths. Ni+2.50+ is bonded to six Se2- atoms to form NiSe6 octahedra that share corners with six equivalent FeSe6 octahedra, edges with six equivalent NiSe6 octahedra, and a faceface with one FeSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Ni–Se bond distances ranging from 2.39–2.52 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one Fe3+ and three equivalent Ni+2.50+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Fe3+ and three equivalent Ni+2.50+ atoms.
DOI: 10.17188/1355472
title: Materials Data on Gd2Re2Si2C by Materials Project

description: Gd2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Gd–Si bond distances ranging from 3.06–3.15 Å. Both Gd–C bond lengths are 2.66 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.46 Å) and one longer (2.48 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Gd3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.60 Å. C4- is bonded to four equivalent Gd3+ and two equivalent Re3+ atoms to form edge-sharing CGd4Re2 octahedra.
DOI: 10.17188/1355473
title: Materials Data on SmSi by Materials Project

description: SmSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Sm–Si bond distances ranging from 3.03–3.23 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Sm and two equivalent Si atoms. Both Si–Si bond lengths are 2.51 Å.
DOI: 10.17188/1355474
title: Materials Data on DyTe3 by Materials Project

description: DyTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two DyTe3 sheets oriented in the (0, 1, 0) direction. Dy3+ is bonded in a 5-coordinate geometry to seven Te1- atoms. There are a spread of Dy–Te bond distances ranging from 3.06–3.55 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 4-coordinate geometry to six equivalent Dy3+ atoms. In the second Te1- site, Te1- is bonded in a distorted single-bond geometry to one Dy3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.12 Å. In the third Te1- site, Te1- is bonded in a 4-coordinate geometry to four equivalent Te1- atoms.
DOI: 10.17188/1355475
title: Materials Data on CeGaGe by Materials Project

description: CeGeGa is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing CeGa6Ge6 cuboctahedra. There are two shorter (3.24 Å) and four longer (3.25 Å) Ce–Ga bond lengths. All Ce–Ge bond lengths are 3.25 Å. In the second Ce site, Ce is bonded to six Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing CeGa6Ge6 cuboctahedra. There are two shorter (3.24 Å) and four longer (3.25 Å) Ce–Ga bond lengths. All Ce–Ge bond lengths are 3.25 Å. In the third Ce site, Ce is bonded to six Ga and six equivalent Ge atoms to form a mixture of edge and face-sharing CeGa6Ge6 cuboctahedra. There are two shorter (3.24 Å) and four longer (3.25 Å) Ce–Ga bond lengths. All Ce–Ge bond lengths are 3.25 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. There are one shorter (2.45 Å) and two longer (2.46 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. Both Ga–Ce bond lengths are 3.24 Å. There are one shorter (2.45 Å) and two longer (2.46 Å) Ga–Ge bond lengths. In the third Ga site, Ga is bonded in a 3-coordinate geometry to six Ce and three equivalent Ge atoms. All Ga–Ce bond lengths are 3.25 Å. There are one shorter (2.45 Å) and two longer (2.46 Å) Ga–Ge bond lengths. Ge is bonded in a 3-coordinate geometry to six Ce and three Ga atoms.
DOI: 10.17188/1355476
title: Materials Data on ThB2Pd2C by Materials Project

description: ThPd2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Th–C bond lengths are 2.73 Å. Pd2+ is bonded to four equivalent B3- atoms to form a mixture of corner and edge-sharing PdB4 tetrahedra. All Pd–B bond lengths are 2.28 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Pd2+ and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent B3- atoms.
DOI: 10.17188/1355477
title: Materials Data on AlNi2 by Materials Project

description: Ni2Al crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to three equivalent Ni and five equivalent Al atoms. All Ni–Ni bond lengths are 2.49 Å. There are a spread of Ni–Al bond distances ranging from 2.40–2.49 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent Al atoms. Both Ni–Ni bond lengths are 2.47 Å. All Ni–Al bond lengths are 2.78 Å. In the third Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Ni and six equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. Al is bonded in a distorted body-centered cubic geometry to eleven Ni atoms.
DOI: 10.17188/1355478
title: Materials Data on USiSe by Materials Project

description: USiSe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 9-coordinate geometry to four Si4- and five Se2- atoms. All U–Si bond lengths are 2.93 Å. There are four shorter (2.88 Å) and one longer (3.05 Å) U–Se bond lengths. In the second U6+ site, U6+ is bonded in a 9-coordinate geometry to four Si4- and five Se2- atoms. All U–Si bond lengths are 2.93 Å. There are four shorter (2.88 Å) and one longer (3.05 Å) U–Se bond lengths. In the third U6+ site, U6+ is bonded in a 9-coordinate geometry to four Si4- and five Se2- atoms. All U–Si bond lengths are 2.93 Å. There are four shorter (2.88 Å) and one longer (3.05 Å) U–Se bond lengths. In the fourth U6+ site, U6+ is bonded in a 9-coordinate geometry to four Si4- and five Se2- atoms. All U–Si bond lengths are 2.93 Å. There are four shorter (2.88 Å) and one longer (3.05 Å) U–Se bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a distorted body-centered cubic geometry to four U6+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.75 Å. In the second Si4- site, Si4- is bonded in a distorted body-centered cubic geometry to four U6+ and four equivalent Si4- atoms. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five U6+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five U6+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to five U6+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U6+ atoms.
DOI: 10.17188/1355479
title: Materials Data on Er2B4C by Materials Project

description: Er2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 2-coordinate geometry to six equivalent B and two equivalent C atoms. There are four shorter (2.71 Å) and two longer (2.96 Å) Er–B bond lengths. Both Er–C bond lengths are 2.38 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Er and three B atoms. There is one shorter (1.76 Å) and two longer (1.86 Å) B–B bond length. In the second B site, B is bonded in a distorted single-bond geometry to two equivalent B and one C atom. The B–C bond length is 1.50 Å. C is bonded to four equivalent Er and two equivalent B atoms to form distorted edge-sharing CEr4B2 octahedra.
DOI: 10.17188/1355480
title: Materials Data on Nd2Re2Si2C by Materials Project

description: Nd2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Nd–Si bond distances ranging from 3.12–3.19 Å. Both Nd–C bond lengths are 2.72 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. All Re–Si bond lengths are 2.47 Å. The Re–C bond length is 1.96 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nd3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.75 Å. C4- is bonded to four equivalent Nd3+ and two equivalent Re3+ atoms to form edge-sharing CNd4Re2 octahedra.
DOI: 10.17188/1355481
title: Materials Data on HgPPd5 by Materials Project

description: Pd5HgP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd, two equivalent Hg, and two equivalent P atoms. There are a spread of Pd–Pd bond distances ranging from 2.78–2.94 Å. Both Pd–Hg bond lengths are 2.94 Å. Both Pd–P bond lengths are 2.43 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Hg atoms to form distorted PdHg4Pd8 cuboctahedra that share corners with four equivalent PdHg4Pd8 cuboctahedra, faces with four equivalent PdHg4Pd8 cuboctahedra, and faces with four equivalent HgPd12 cuboctahedra. All Pd–Hg bond lengths are 2.82 Å. Hg is bonded to twelve Pd atoms to form HgPd12 cuboctahedra that share corners with four equivalent HgPd12 cuboctahedra, faces with four equivalent PdHg4Pd8 cuboctahedra, and faces with four equivalent HgPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1355482
title: Materials Data on ZrHCl by Materials Project

description: ZrHCl is Cotunnite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one ZrHCl sheet oriented in the (0, 0, 1) direction. Zr2+ is bonded in a 7-coordinate geometry to four equivalent H1- and three equivalent Cl1- atoms. There are one shorter (2.05 Å) and three longer (2.15 Å) Zr–H bond lengths. All Zr–Cl bond lengths are 2.62 Å. H1- is bonded to four equivalent Zr2+ atoms to form a mixture of edge and corner-sharing HZr4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.
DOI: 10.17188/1355483
title: Materials Data on PrNiSb by Materials Project

description: PrNiSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Ni and six equivalent Sb atoms to form a mixture of edge and face-sharing PrNi6Sb6 cuboctahedra. All Pr–Ni bond lengths are 3.28 Å. All Pr–Sb bond lengths are 3.28 Å. Ni is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Sb atoms. All Ni–Sb bond lengths are 2.53 Å. Sb is bonded in a 3-coordinate geometry to six equivalent Pr and three equivalent Ni atoms.
DOI: 10.17188/1355484
title: Materials Data on InAsPd5 by Materials Project

description: Pd5InAs crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with four equivalent PdIn4Pd8 cuboctahedra, faces with four equivalent PdIn4Pd8 cuboctahedra, and faces with four equivalent InPd12 cuboctahedra. All Pd–Pd bond lengths are 2.88 Å. All Pd–In bond lengths are 2.87 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent In, and two equivalent As atoms. There are four shorter (2.87 Å) and one longer (3.00 Å) Pd–Pd bond lengths. Both Pd–In bond lengths are 2.88 Å. Both Pd–As bond lengths are 2.52 Å. In is bonded to twelve Pd atoms to form InPd12 cuboctahedra that share corners with four equivalent InPd12 cuboctahedra, faces with four equivalent PdIn4Pd8 cuboctahedra, and faces with four equivalent InPd12 cuboctahedra. As is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1355485
title: Materials Data on Ti2VTe4 by Materials Project

description: Ti2VTe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ti3+ is bonded to six Te2- atoms to form TiTe6 octahedra that share corners with six equivalent VTe6 octahedra, edges with six equivalent TiTe6 octahedra, and a faceface with one VTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Ti–Te bond distances ranging from 2.73–2.98 Å. V2+ is bonded to six Te2- atoms to form VTe6 octahedra that share corners with twelve equivalent TiTe6 octahedra, edges with two equivalent VTe6 octahedra, and faces with two equivalent TiTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are two shorter (2.74 Å) and four longer (2.81 Å) V–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Ti3+ and two equivalent V2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Ti3+ and one V2+ atom.
DOI: 10.17188/1355486
title: Materials Data on TlPPd5 by Materials Project

description: Pd5TlP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to eight equivalent Pd and four equivalent Tl atoms. All Pd–Pd bond lengths are 2.94 Å. All Pd–Tl bond lengths are 2.83 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent Tl, and two equivalent P atoms. There are one shorter (2.80 Å) and four longer (2.83 Å) Pd–Pd bond lengths. Both Pd–Tl bond lengths are 2.94 Å. Both Pd–P bond lengths are 2.44 Å. Tl is bonded to twelve Pd atoms to form a mixture of face and corner-sharing TlPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1355487
title: Materials Data on ZnPd5Se by Materials Project

description: Pd5ZnSe crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Pd, two equivalent Zn, and two equivalent Se atoms. Both Pd–Pd bond lengths are 2.78 Å. Both Pd–Zn bond lengths are 2.78 Å. Both Pd–Se bond lengths are 2.56 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Zn atoms to form PdZn4Pd8 cuboctahedra that share corners with four equivalent PdZn4Pd8 cuboctahedra, faces with four equivalent PdZn4Pd8 cuboctahedra, and faces with four equivalent ZnPd12 cuboctahedra. All Pd–Zn bond lengths are 2.83 Å. Zn is bonded to twelve Pd atoms to form ZnPd12 cuboctahedra that share corners with four equivalent ZnPd12 cuboctahedra, faces with four equivalent PdZn4Pd8 cuboctahedra, and faces with four equivalent ZnPd12 cuboctahedra. Se is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1355488
title: Materials Data on LuB2Rh3 by Materials Project

description: LuRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to two equivalent Lu, twelve equivalent Rh, and six equivalent B atoms. Both Lu–Lu bond lengths are 3.12 Å. All Lu–Rh bond lengths are 3.12 Å. All Lu–B bond lengths are 3.12 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Lu and four equivalent B atoms. All Rh–B bond lengths are 2.21 Å. B is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Rh atoms.
DOI: 10.17188/1355489
title: Materials Data on DyB2Ir3 by Materials Project

description: DyIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to two equivalent Dy, twelve equivalent Ir, and six equivalent B atoms. Both Dy–Dy bond lengths are 3.15 Å. All Dy–Ir bond lengths are 3.16 Å. All Dy–B bond lengths are 3.16 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Dy and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. B is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ir atoms.
DOI: 10.17188/1355490
title: Materials Data on ErInCo4 by Materials Project

description: ErCo4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent In atoms. All Er–Co bond lengths are 2.91 Å. All Er–In bond lengths are 3.04 Å. Co is bonded to three equivalent Er, six equivalent Co, and three equivalent In atoms to form a mixture of face, edge, and corner-sharing CoEr3In3Co6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.49 Å) Co–Co bond lengths. All Co–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Co atoms.