cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1666920
title: Materials Data on CaEuS2 by Materials Project

description: CaEuS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent S2- atoms to form CaS6 octahedra that share corners with six equivalent EuS6 octahedra, edges with six equivalent CaS6 octahedra, and edges with six equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ca–S bond lengths are 2.87 Å. Eu2+ is bonded to six equivalent S2- atoms to form EuS6 octahedra that share corners with six equivalent CaS6 octahedra, edges with six equivalent CaS6 octahedra, and edges with six equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Eu–S bond lengths are 2.91 Å. S2- is bonded to three equivalent Ca2+ and three equivalent Eu2+ atoms to form a mixture of corner and edge-sharing SCa3Eu3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1666921
title: Materials Data on HCNO by Materials Project

description: CNHO crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four cyanuric acid molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two equivalent N3- and one O2- atom. Both C–N bond lengths are 1.38 Å. The C–O bond length is 1.23 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. Both C–N bond lengths are 1.38 Å. The C–O bond length is 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two equivalent C4+ and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to two C4+ and one H1+ atom. The N–H bond length is 1.04 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom.
DOI: 10.17188/1666922
title: Materials Data on LiMg by Materials Project

description: LiMg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded to seven Li and five Mg atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent MgLi5Mg7 cuboctahedra, corners with twelve LiLi7Mg5 cuboctahedra, edges with five LiLi7Mg5 cuboctahedra, edges with thirteen MgLi5Mg7 cuboctahedra, faces with ten LiLi7Mg5 cuboctahedra, and faces with ten MgLi5Mg7 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.03–3.15 Å. There are two shorter (3.07 Å) and three longer (3.09 Å) Li–Mg bond lengths. In the second Li site, Li is bonded to seven Li and five Mg atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent LiLi7Mg5 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with eight LiLi7Mg5 cuboctahedra, edges with ten MgLi5Mg7 cuboctahedra, faces with ten LiLi7Mg5 cuboctahedra, and faces with ten MgLi5Mg7 cuboctahedra. There are two shorter (3.12 Å) and two longer (3.15 Å) Li–Li bond lengths. There are a spread of Li–Mg bond distances ranging from 3.02–3.13 Å. In the third Li site, Li is bonded to six Li and six Mg atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent MgLi5Mg7 cuboctahedra, corners with twelve LiLi7Mg5 cuboctahedra, edges with nine LiLi7Mg5 cuboctahedra, edges with nine MgLi5Mg7 cuboctahedra, faces with eight LiLi7Mg5 cuboctahedra, and faces with twelve MgLi5Mg7 cuboctahedra. Both Li–Li bond lengths are 3.15 Å. There are a spread of Li–Mg bond distances ranging from 3.04–3.19 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded to five Li and seven Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent LiLi7Mg5 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with five MgLi6Mg6 cuboctahedra, edges with thirteen LiLi7Mg5 cuboctahedra, faces with ten LiLi7Mg5 cuboctahedra, and faces with ten MgLi5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.06–3.15 Å. In the second Mg site, Mg is bonded to six Li and six Mg atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent LiLi7Mg5 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with nine LiLi7Mg5 cuboctahedra, edges with nine MgLi5Mg7 cuboctahedra, faces with eight MgLi5Mg7 cuboctahedra, and faces with twelve LiLi7Mg5 cuboctahedra. There are two shorter (3.15 Å) and two longer (3.16 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded to five Li and seven Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent MgLi5Mg7 cuboctahedra, corners with twelve LiLi7Mg5 cuboctahedra, edges with eight MgLi5Mg7 cuboctahedra, edges with ten LiLi7Mg5 cuboctahedra, faces with ten LiLi7Mg5 cuboctahedra, and faces with ten MgLi5Mg7 cuboctahedra. Both Mg–Mg bond lengths are 3.15 Å.
DOI: 10.17188/1666923
title: Materials Data on Li3Fe2(SiO4)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: 10.17188/1666924
title: Materials Data on Tb2GaCo2 by Materials Project

description: Tb2Co2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to six equivalent Co and four equivalent Ga atoms. All Tb–Co bond lengths are 2.91 Å. There are two shorter (3.19 Å) and two longer (3.24 Å) Tb–Ga bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent Tb, one Co, and two equivalent Ga atoms. The Co–Co bond length is 2.33 Å. Both Co–Ga bond lengths are 2.56 Å. Ga is bonded to eight equivalent Tb and four equivalent Co atoms to form a mixture of edge and face-sharing GaTb8Co4 cuboctahedra.
DOI: 10.17188/1666925
title: Materials Data on In2CuAgS4 by Materials Project

description: AgCuIn2S4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight InS4 tetrahedra. All Ag–S bond lengths are 2.56 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and corners with eight InS4 tetrahedra. All Cu–S bond lengths are 2.34 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent InS4 tetrahedra. All In–S bond lengths are 2.51 Å. In the second In3+ site, In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent InS4 tetrahedra. All In–S bond lengths are 2.52 Å. S2- is bonded to one Ag1+, one Cu1+, and two In3+ atoms to form corner-sharing SIn2CuAg tetrahedra.
DOI: 10.17188/1666926
title: Materials Data on NiP2O7 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: 10.17188/1666927
title: Materials Data on NbVB4 by Materials Project

description: NbVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb2+ is bonded to twelve equivalent B+1.50- atoms to form NbB12 cuboctahedra that share edges with twelve equivalent VB12 cuboctahedra, faces with two equivalent VB12 cuboctahedra, and faces with six equivalent NbB12 cuboctahedra. All Nb–B bond lengths are 2.44 Å. V4+ is bonded to twelve equivalent B+1.50- atoms to form VB12 cuboctahedra that share edges with twelve equivalent NbB12 cuboctahedra, faces with two equivalent NbB12 cuboctahedra, and faces with six equivalent VB12 cuboctahedra. All V–B bond lengths are 2.32 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Nb2+, three equivalent V4+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.77 Å.
DOI: 10.17188/1666928
title: Materials Data on EuCdGe by Materials Project

description: EuCdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to six equivalent Cd and five equivalent Ge atoms. There are a spread of Eu–Cd bond distances ranging from 3.35–3.58 Å. There are a spread of Eu–Ge bond distances ranging from 3.16–3.33 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Eu and four equivalent Ge atoms. There are a spread of Cd–Ge bond distances ranging from 2.83–2.96 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Eu and four equivalent Cd atoms.
DOI: 10.17188/1666929
title: Materials Data on Fe2O3F 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: 10.17188/1666932
title: Materials Data on ZrP2NO8 by Materials Project

description: ZrP2NO8 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one ZrP2NO8 sheet oriented in the (0, 0, 1) direction. Zr3+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Zr–O bond distances ranging from 2.01–2.14 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 5–32°. There are a spread of P–O bond distances ranging from 1.52–1.54 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 5–26°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. N3+ is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.88 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr3+ and one P5+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Zr3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Zr3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one P5+ and one N3+ atom.
DOI: 10.17188/1666934
title: Materials Data on La2P3(HO3)3 by Materials Project

description: La2P3(HO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H1- and three O2- atoms. The P–H bond length is 1.40 Å. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. In the second P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H1- and three O2- atoms. The P–H bond length is 1.41 Å. All P–O bond lengths are 1.54 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. In the second H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one P5+ atom.
DOI: 10.17188/1666935
title: Materials Data on Li3Fe3(PO4)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: 10.17188/1666938
title: Materials Data on Li4Mn3NbO8 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: 10.17188/1666939
title: Materials Data on SrBi3Cl3O4 by Materials Project

description: SrBi3O4Cl3 is Matlockite-derived structured and crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two SrBi3O4Cl3 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 9-coordinate geometry to four equivalent O2- and five Cl1- atoms. All Sr–O bond lengths are 2.50 Å. There are four shorter (3.14 Å) and one longer (3.56 Å) Sr–Cl bond lengths. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.32 Å. All Bi–Cl bond lengths are 3.20 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.22 Å. In the third Bi3+ site, Bi3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five Cl1- atoms. All Bi–O bond lengths are 2.39 Å. There are four shorter (3.06 Å) and one longer (3.35 Å) Bi–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OSr2Bi2 tetrahedra. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Sr2+ and four equivalent Bi3+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Bi3+ atom.
DOI: 10.17188/1666940
title: Materials Data on LiSc2In by Materials Project

description: LiSc2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiSc2In ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Sc atoms. Both Li–Sc bond lengths are 3.18 Å. Sc is bonded in a linear geometry to one Li and one In atom. The Sc–In bond length is 2.95 Å. In is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1666941
title: Materials Data on AlVO3 by Materials Project

description: AlVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V3+ is bonded to twelve equivalent O2- atoms to form VO12 cuboctahedra that share corners with twelve equivalent VO12 cuboctahedra, faces with six equivalent VO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All V–O bond lengths are 2.57 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent VO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.82 Å. O2- is bonded in a distorted linear geometry to four equivalent V3+ and two equivalent Al3+ atoms.
DOI: 10.17188/1666943
title: Materials Data on Cu2NiSnO4 by Materials Project

description: NiCu2SnO4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with four equivalent SnO6 octahedra. There are two shorter (2.08 Å) and four longer (2.12 Å) Ni–O bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.84 Å. In the second Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share edges with two equivalent SnO6 octahedra and edges with four equivalent NiO6 octahedra. There are two shorter (2.07 Å) and four longer (2.12 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ni2+, one Cu1+, and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCuNi2Sn tetrahedra. In the second O2- site, O2- is bonded to one Ni2+, one Cu1+, and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OCuNiSn2 tetrahedra.
DOI: 10.17188/1666945
title: Materials Data on MnGe2Pd3 by Materials Project

description: Pd2(MnPd)Ge2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn is bonded in a 10-coordinate geometry to six Pd and four equivalent Ge atoms. There are a spread of Mn–Pd bond distances ranging from 2.78–2.85 Å. There are two shorter (2.69 Å) and two longer (2.74 Å) Mn–Ge bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.58 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Mn and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.58–2.62 Å. In the third Pd site, Pd is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.50–2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Mn and five Pd atoms.
DOI: 10.17188/1666946
title: Materials Data on YRu3 by Materials Project

description: YRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Ru atoms to form a mixture of face and corner-sharing YRu12 cuboctahedra. All Y–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Y atoms.
DOI: 10.17188/1666947
title: Materials Data on PrGaGe2O7 by Materials Project

description: PrGaGe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.39–2.78 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with five GeO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.87–2.03 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent GaO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.72–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent GaO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.83 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pr3+, one Ga3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Pr3+, one Ga3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Pr3+, one Ga3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pr3+, one Ga3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pr3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Pr3+, one Ga3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pr3+ and two Ge4+ atoms.
DOI: 10.17188/1666948
title: Materials Data on Lu2NiGe4 by Materials Project

description: Lu2NiGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.96–3.16 Å. In the second Lu site, Lu is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Lu–Ni bond lengths are 3.12 Å. There are a spread of Lu–Ge bond distances ranging from 3.02–3.29 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Lu and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.30–2.37 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Lu, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Lu and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Ni, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.84 Å. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Ni, and four equivalent Ge atoms.
DOI: 10.17188/1666949
title: Materials Data on Y2InPd by Materials Project

description: Y2PdIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2PdIn ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Pd and one In atom. The Y–Pd bond length is 2.57 Å. The Y–In bond length is 3.07 Å. Pd is bonded in a linear geometry to two equivalent Y atoms. In is bonded in a linear geometry to two equivalent Y atoms.
DOI: 10.17188/1666952
title: Materials Data on TaMn2V by Materials Project

description: TaVMn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaVMn2 ribbons oriented in the (0, 1, 0) direction. Ta is bonded in a linear geometry to two equivalent Mn atoms. Both Ta–Mn bond lengths are 2.33 Å. V is bonded in a linear geometry to two equivalent Mn atoms. Both V–Mn bond lengths are 2.80 Å. Mn is bonded in a linear geometry to one Ta and one V atom.