cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196840
title: Materials Data on La2InCuSe5 by Materials Project

description: La2CuInSe5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.05–3.37 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.07–3.34 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with three equivalent InSe6 octahedra, corners with two equivalent CuSe4 tetrahedra, and edges with two equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 9–71°. There are a spread of Cu–Se bond distances ranging from 2.42–2.58 Å. In3+ is bonded to six Se2- atoms to form InSe6 octahedra that share corners with three equivalent CuSe4 tetrahedra and edges with two equivalent InSe6 octahedra. There are a spread of In–Se bond distances ranging from 2.72–2.93 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three La3+ and two equivalent In3+ atoms to form distorted SeLa3In2 trigonal bipyramids that share corners with eleven SeLa3In2 trigonal bipyramids, edges with four equivalent SeLa4In square pyramids, and edges with three SeLa4Cu trigonal bipyramids. In the second Se2- site, Se2- is bonded to four La3+ and one In3+ atom to form distorted SeLa4In square pyramids that share corners with six SeLa4Cu trigonal bipyramids, edges with two equivalent SeLa4In square pyramids, and edges with nine SeLa3In2 trigonal bipyramids. In the third Se2- site, Se2- is bonded to three equivalent La3+ and two equivalent In3+ atoms to form distorted SeLa3In2 trigonal bipyramids that share corners with two equivalent SeLa4In square pyramids, corners with nine SeLa3In2 trigonal bipyramids, edges with three equivalent SeLa4In square pyramids, and edges with six SeLa4Cu trigonal bipyramids. In the fourth Se2- site, Se2- is bonded to four La3+ and one Cu1+ atom to form distorted SeLa4Cu trigonal bipyramids that share corners with four equivalent SeLa4In square pyramids, corners with six SeLa3In2 trigonal bipyramids, edges with two equivalent SeLa4In square pyramids, and edges with five SeLa4Cu trigonal bipyramids. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent La3+, three equivalent Cu1+, and one In3+ atom.
DOI: 10.17188/1196841
title: Materials Data on InAs by Materials Project

description: InAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. In3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing InAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–As bond lengths are 2.88 Å. As3- is bonded to six equivalent In3+ atoms to form a mixture of edge and corner-sharing AsIn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196842
title: Materials Data on Tb3InC by Materials Project

description: Tb3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tb3In framework. In the Tb3In framework, Tb is bonded in a linear geometry to two equivalent In atoms. Both Tb–In bond lengths are 2.80 Å. In is bonded to six equivalent Tb atoms to form corner-sharing InTb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196843
title: Materials Data on Ce3Al by Materials Project

description: Ce3Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Ce and four equivalent Al atoms. There are a spread of Ce–Ce bond distances ranging from 3.01–3.70 Å. There are two shorter (3.16 Å) and two longer (3.36 Å) Ce–Al bond lengths. Al is bonded to twelve equivalent Ce atoms to form a mixture of face and corner-sharing AlCe12 cuboctahedra.
DOI: 10.17188/1196844
title: Materials Data on EuO by Materials Project

description: EuO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–O bond lengths are 2.54 Å. O2- is bonded to six equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OEu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196845
title: Materials Data on HoIn5Co by Materials Project

description: HoCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve In atoms to form HoIn12 cuboctahedra that share corners with four equivalent HoIn12 cuboctahedra, faces with four equivalent HoIn12 cuboctahedra, and faces with four equivalent InHo4In8 cuboctahedra. There are four shorter (3.24 Å) and eight longer (3.25 Å) Ho–In bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Co–In bond lengths are 2.72 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven In atoms. There are a spread of In–In bond distances ranging from 2.92–3.25 Å. In the second In site, In is bonded to four equivalent Ho and eight equivalent In atoms to form distorted InHo4In8 cuboctahedra that share corners with four equivalent InHo4In8 cuboctahedra, faces with four equivalent HoIn12 cuboctahedra, and faces with four equivalent InHo4In8 cuboctahedra.
DOI: 10.17188/1196846
title: Materials Data on CeMnGe by Materials Project

description: CeMnGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to four equivalent Mn and five equivalent Ge atoms. All Ce–Mn bond lengths are 3.13 Å. There are four shorter (3.01 Å) and one longer (3.38 Å) Ce–Ge bond lengths. Mn is bonded to four equivalent Ce and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing MnCe4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.50 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Mn atoms.
DOI: 10.17188/1196847
title: Materials Data on ZrRu by Materials Project

description: RuZr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Zr–Ru bond lengths are 2.84 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1196848
title: Materials Data on Ga3Pt2 by Materials Project

description: Ga3Pt2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pt is bonded in a body-centered cubic geometry to eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.55–2.78 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six equivalent Pt atoms. In the second Ga site, Ga is bonded in a 5-coordinate geometry to five equivalent Pt atoms.
DOI: 10.17188/1196849
title: Materials Data on TbSnPd by Materials Project

description: TbPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sn atoms. There are a spread of Tb–Pd bond distances ranging from 3.12–3.38 Å. There are a spread of Tb–Sn bond distances ranging from 3.21–3.33 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.70–2.90 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Pd atoms.
DOI: 10.17188/1196850
title: Materials Data on PrCr2Si2C by Materials Project

description: PrCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Pr–Si bond lengths are 3.10 Å. Both Pr–C bond lengths are 2.70 Å. Cr+4.50+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent C4- atoms. All Cr–Si bond lengths are 2.47 Å. Both Cr–C bond lengths are 2.00 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.53 Å. C4- is bonded to two equivalent Pr3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CPr2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196851
title: Materials Data on InSe by Materials Project

description: InSe crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two InSe ribbons oriented in the (0, 1, 0) direction. In2+ is bonded in a distorted T-shaped geometry to three equivalent Se2- atoms. There are two shorter (2.71 Å) and one longer (2.72 Å) In–Se bond lengths. Se2- is bonded in a 3-coordinate geometry to three equivalent In2+ atoms.
DOI: 10.17188/1196852
title: Materials Data on Eu3TaO6 by Materials Project

description: Eu3TaO6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu+2.33+ sites. In the first Eu+2.33+ site, Eu+2.33+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, faces with four equivalent EuO6 octahedra, and faces with four equivalent TaO6 octahedra. All Eu–O bond lengths are 3.01 Å. In the second Eu+2.33+ site, Eu+2.33+ is bonded to six equivalent O2- atoms to form EuO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–O bond lengths are 2.27 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent EuO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to five Eu+2.33+ and one Ta5+ atom.
DOI: 10.17188/1196853
title: Materials Data on EuAl9Co2 by Materials Project

description: EuCo2Al9 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Al atoms to form face-sharing EuAl12 cuboctahedra. All Eu–Al bond lengths are 3.51 Å. Co is bonded in a 9-coordinate geometry to nine Al atoms. There are three shorter (2.28 Å) and six longer (2.55 Å) Co–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to two equivalent Eu and two equivalent Co atoms. In the second Al site, Al is bonded in a linear geometry to two equivalent Co atoms.
DOI: 10.17188/1196854
title: Materials Data on Gd(SiOs)2 by Materials Project

description: Gd(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Gd–Os bond lengths are 3.22 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Gd3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.40 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.52 Å.
DOI: 10.17188/1196855
title: Materials Data on Zn(InS2)2 by Materials Project

description: ZnIn2S4 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZnIn2S4 sheets oriented in the (0, 0, 1) direction. Zn2+ is bonded to four S2- atoms to form distorted ZnS4 trigonal pyramids that share corners with three equivalent InS6 octahedra and corners with six equivalent ZnS4 trigonal pyramids. The corner-sharing octahedral tilt angles are 62°. There are three shorter (2.27 Å) and one longer (3.16 Å) Zn–S bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with three equivalent InS6 octahedra and corners with six equivalent InS4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are one shorter (2.41 Å) and three longer (2.54 Å) In–S bond lengths. In the second In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with three equivalent InS4 tetrahedra, corners with three equivalent ZnS4 trigonal pyramids, and edges with six equivalent InS6 octahedra. There are three shorter (2.57 Å) and three longer (2.78 Å) In–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal planar geometry to three equivalent Zn2+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four In3+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In3+ atoms. In the fourth S2- site, S2- is bonded to one Zn2+ and three equivalent In3+ atoms to form distorted corner-sharing SZnIn3 tetrahedra.
DOI: 10.17188/1196857
title: Materials Data on FeS by Materials Project

description: FeS is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form a mixture of edge, corner, and face-sharing FeS6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Fe–S bond distances ranging from 2.22–2.37 Å. S2- is bonded in a 6-coordinate geometry to six equivalent Fe2+ atoms.
DOI: 10.17188/1196858
title: Materials Data on Ce3Tl by Materials Project

description: Ce3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent Tl atoms to form distorted CeCe8Tl4 cuboctahedra that share corners with twelve equivalent CeCe8Tl4 cuboctahedra, edges with eight equivalent TlCe12 cuboctahedra, edges with sixteen equivalent CeCe8Tl4 cuboctahedra, faces with four equivalent TlCe12 cuboctahedra, and faces with fourteen equivalent CeCe8Tl4 cuboctahedra. All Ce–Ce bond lengths are 3.42 Å. All Ce–Tl bond lengths are 3.42 Å. Tl is bonded to twelve equivalent Ce atoms to form TlCe12 cuboctahedra that share corners with twelve equivalent TlCe12 cuboctahedra, edges with twenty-four equivalent CeCe8Tl4 cuboctahedra, faces with six equivalent TlCe12 cuboctahedra, and faces with twelve equivalent CeCe8Tl4 cuboctahedra.
DOI: 10.17188/1196859
title: Materials Data on RbMnP by Materials Project

description: RbMnP crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one RbMnP sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All Rb–P bond lengths are 3.40 Å. Mn2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.27 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Rb1+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1196860
title: Materials Data on LaIn5Co by Materials Project

description: LaCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La is bonded to twelve In atoms to form a mixture of face and corner-sharing LaIn12 cuboctahedra. There are four shorter (3.30 Å) and eight longer (3.35 Å) La–In bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Co–In bond lengths are 2.75 Å. There are two inequivalent In sites. In the first In site, In is bonded in a distorted square co-planar geometry to four equivalent La and eight equivalent In atoms. All In–In bond lengths are 3.35 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent La, two equivalent Co, and seven In atoms. There are one shorter (2.89 Å) and four longer (3.30 Å) In–In bond lengths.
DOI: 10.17188/1196870
title: Materials Data on Dy(NiGe)2 by Materials Project

description: DyNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Dy–Ni bond lengths are 3.18 Å. All Dy–Ge bond lengths are 3.13 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.35 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.51 Å.
DOI: 10.17188/1196871
title: Materials Data on PuAl2 by Materials Project

description: PuAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pu is bonded in a 12-coordinate geometry to four equivalent Pu and twelve equivalent Al atoms. All Pu–Pu bond lengths are 3.26 Å. All Pu–Al bond lengths are 3.13 Å. Al is bonded to six equivalent Pu and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlPu6Al6 cuboctahedra. All Al–Al bond lengths are 2.67 Å.
DOI: 10.17188/1196872
title: Materials Data on Eu(GeRu)2 by Materials Project

description: EuRu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent Ge atoms. All Eu–Ru bond lengths are 3.34 Å. All Eu–Ge bond lengths are 3.34 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.75 Å.
DOI: 10.17188/1196874
title: Materials Data on MnSnPt by Materials Project

description: PtMnSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Pt and six equivalent Sn atoms to form a mixture of distorted corner and face-sharing MnSn6Pt4 tetrahedra. All Mn–Pt bond lengths are 2.69 Å. All Mn–Sn bond lengths are 3.11 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sn atoms. All Pt–Sn bond lengths are 2.69 Å. Sn is bonded in a 4-coordinate geometry to six equivalent Mn and four equivalent Pt atoms.
DOI: 10.17188/1196875
title: Materials Data on CeMg2 by Materials Project

description: CeMg2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Ce atoms to form a mixture of corner, edge, and face-sharing MgCe6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Ce bond lengths are 3.58 Å. Ce is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Ce atoms. All Ce–Ce bond lengths are 3.73 Å.
DOI: 10.17188/1196876
title: Materials Data on Te2Os by Materials Project

description: OsTe2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Os4+ is bonded to six equivalent Te2- atoms to form corner-sharing OsTe6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Os–Te bond lengths are 2.68 Å. Te2- is bonded in a 4-coordinate geometry to three equivalent Os4+ and one Te2- atom. The Te–Te bond length is 2.87 Å.
DOI: 10.17188/1196877
title: Materials Data on Nd(MnGe)2 by Materials Project

description: NdMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Nd–Ge bond lengths are 3.15 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.72 Å.
DOI: 10.17188/1196878
title: Materials Data on Pu2SO2 by Materials Project

description: Pu2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pu3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Pu–S bond lengths are 2.89 Å. There are three shorter (2.32 Å) and one longer (2.35 Å) Pu–O bond lengths. S2- is bonded to six equivalent Pu3+ atoms to form distorted SPu6 octahedra that share corners with twelve equivalent OPu4 tetrahedra, edges with six equivalent SPu6 octahedra, and edges with six equivalent OPu4 tetrahedra. O2- is bonded to four equivalent Pu3+ atoms to form OPu4 tetrahedra that share corners with six equivalent SPu6 octahedra, corners with six equivalent OPu4 tetrahedra, edges with three equivalent SPu6 octahedra, and edges with three equivalent OPu4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–51°.
DOI: 10.17188/1196879
title: Materials Data on YCoC by Materials Project

description: YCoC crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Y3+ is bonded to four equivalent C4- atoms to form a mixture of distorted corner and edge-sharing YC4 tetrahedra. All Y–C bond lengths are 2.51 Å. Co1+ is bonded in a linear geometry to two equivalent C4- atoms. Both Co–C bond lengths are 1.81 Å. C4- is bonded to four equivalent Y3+ and two equivalent Co1+ atoms to form a mixture of corner and edge-sharing CY4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
DOI: 10.17188/1196880
title: Materials Data on Pu2O3 by Materials Project

description: Pu2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pu–O bond distances ranging from 2.28–2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Pu3+ atoms to form OPu6 octahedra that share corners with twelve equivalent OPu4 tetrahedra, edges with six equivalent OPu6 octahedra, and edges with six equivalent OPu4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pu3+ atoms to form OPu4 tetrahedra that share corners with six equivalent OPu6 octahedra, corners with six equivalent OPu4 tetrahedra, edges with three equivalent OPu6 octahedra, and edges with three equivalent OPu4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–56°.
DOI: 10.17188/1196881
title: Materials Data on TbNiGe by Materials Project

description: TbNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ge atoms. There are a spread of Tb–Ni bond distances ranging from 2.92–3.18 Å. There are a spread of Tb–Ge bond distances ranging from 2.96–3.09 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.46–2.72 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ni atoms.
DOI: 10.17188/1196882
title: Materials Data on UNiSn by Materials Project

description: UNiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sn atoms. All U–Ni bond lengths are 2.75 Å. All U–Sn bond lengths are 3.17 Å. Ni is bonded in a body-centered cubic geometry to four equivalent U and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.75 Å. Sn is bonded in a distorted q6 geometry to six equivalent U and four equivalent Ni atoms.