cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1317534
title: Materials Data on PrN by Materials Project

description: PrN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one PrN sheet oriented in the (0, 0, 1) direction. Pr3+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing PrN4 trigonal pyramids. All Pr–N bond lengths are 2.42 Å. N3- is bonded to four equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing NPr4 trigonal pyramids.
DOI: 10.17188/1317535
title: Materials Data on Pd3N by Materials Project

description: Pd3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pd–Pd bond lengths are 2.62 Å. In the second Pd site, Pd is bonded to four equivalent Pd and four equivalent N atoms to form a mixture of distorted edge, face, and corner-sharing PdPd4N4 tetrahedra. All Pd–N bond lengths are 2.62 Å. N is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1317536
title: Materials Data on Pd3Au by Materials Project

description: Pd3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Au atoms to form PdPd8Au4 cuboctahedra that share corners with twelve equivalent PdPd8Au4 cuboctahedra, edges with eight equivalent AuPd12 cuboctahedra, edges with sixteen equivalent PdPd8Au4 cuboctahedra, faces with four equivalent AuPd12 cuboctahedra, and faces with fourteen equivalent PdPd8Au4 cuboctahedra. All Pd–Pd bond lengths are 2.83 Å. All Pd–Au bond lengths are 2.83 Å. Au is bonded to twelve equivalent Pd atoms to form AuPd12 cuboctahedra that share corners with twelve equivalent AuPd12 cuboctahedra, edges with twenty-four equivalent PdPd8Au4 cuboctahedra, faces with six equivalent AuPd12 cuboctahedra, and faces with twelve equivalent PdPd8Au4 cuboctahedra.
DOI: 10.17188/1317537
title: Materials Data on Al2CdS4 by Materials Project

description: CdAl2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with twelve equivalent AlS6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Cd–S bond lengths are 2.51 Å. Al3+ is bonded to six equivalent S2- atoms to form AlS6 octahedra that share corners with six equivalent CdS4 tetrahedra and edges with six equivalent AlS6 octahedra. All Al–S bond lengths are 2.45 Å. S2- is bonded to one Cd2+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SAl3Cd tetrahedra.
DOI: 10.17188/1317538
title: Materials Data on PdN by Materials Project

description: PdN is Boron Nitride structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two PdN sheets oriented in the (0, 0, 1) direction. Pd2+ is bonded in a trigonal planar geometry to three equivalent N2- atoms. All Pd–N bond lengths are 1.95 Å. N2- is bonded in a trigonal planar geometry to three equivalent Pd2+ atoms.
DOI: 10.17188/1317539
title: Materials Data on PdN by Materials Project

description: PdN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent N2- atoms to form a mixture of face, edge, and corner-sharing PdN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Pd–N bond lengths are 2.22 Å. N2- is bonded to six equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing NPd6 pentagonal pyramids.
DOI: 10.17188/1317540
title: Materials Data on PrRh by Materials Project

description: PrRh crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 7-coordinate geometry to seven equivalent Rh atoms. There are a spread of Pr–Rh bond distances ranging from 3.00–3.19 Å. Rh is bonded in a 9-coordinate geometry to seven equivalent Pr and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.86 Å.
DOI: 10.17188/1317541
title: Materials Data on PrAu by Materials Project

description: PrAu is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Pr–Au bond distances ranging from 3.17–3.22 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Pr atoms.
DOI: 10.17188/1317542
title: Materials Data on OsN by Materials Project

description: OsN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Os3+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Os–N bond lengths are 2.05 Å. N3- is bonded in a 4-coordinate geometry to four equivalent Os3+ atoms.
DOI: 10.17188/1317543
title: Materials Data on OsC by Materials Project

description: COs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os2- is bonded to six equivalent C2+ atoms to form a mixture of edge, face, and corner-sharing OsC6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Os–C bond lengths are 2.18 Å. C2+ is bonded to six equivalent Os2- atoms to form a mixture of distorted edge and corner-sharing COs6 pentagonal pyramids.
DOI: 10.17188/1317544
title: Materials Data on OsN by Materials Project

description: OsN crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Os3+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. There are a spread of Os–N bond distances ranging from 2.01–2.10 Å. N3- is bonded in a rectangular see-saw-like geometry to four equivalent Os3+ atoms.
DOI: 10.17188/1317545
title: Materials Data on NiBi by Materials Project

description: NiBi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni is bonded in a distorted body-centered cubic geometry to two equivalent Ni and six equivalent Bi atoms. Both Ni–Ni bond lengths are 2.65 Å. All Ni–Bi bond lengths are 2.75 Å. Bi is bonded in a 6-coordinate geometry to six equivalent Ni atoms.
DOI: 10.17188/1317546
title: Materials Data on NdTlTe2 by Materials Project

description: NdTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent NdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Nd–Te bond lengths are 3.20 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent NdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.51 Å. Te2- is bonded to three equivalent Nd3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TeNd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1317547
title: Materials Data on NdRh by Materials Project

description: NdRh crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to seven equivalent Rh atoms. There are a spread of Nd–Rh bond distances ranging from 2.98–3.19 Å. Rh is bonded in a 9-coordinate geometry to seven equivalent Nd and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.83 Å.
DOI: 10.17188/1317548
title: Materials Data on NdPd by Materials Project

description: NdPd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Nd–Pd bond distances ranging from 3.03–3.11 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Nd atoms.
DOI: 10.17188/1317549
title: Materials Data on NiHO2 by Materials Project

description: NiOOH crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one NiOOH sheet oriented in the (0, 0, 1) direction. Ni3+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There is three shorter (1.98 Å) and three longer (2.00 Å) Ni–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ni3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ni3+ and one H1+ atom.
DOI: 10.17188/1317550
title: Materials Data on NdAu by Materials Project

description: NdAu is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Nd–Au bond distances ranging from 3.13–3.21 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Nd atoms.
DOI: 10.17188/1317551
title: Materials Data on NdNi by Materials Project

description: NdNi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Nd–Ni bond distances ranging from 2.94–3.06 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Nd and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.66 Å.
DOI: 10.17188/1317552
title: Materials Data on NbN by Materials Project

description: NbN is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Nb3+ is bonded to four equivalent N3- atoms to form distorted corner-sharing NbN4 tetrahedra. There are one shorter (1.99 Å) and three longer (2.12 Å) Nb–N bond lengths. N3- is bonded to four equivalent Nb3+ atoms to form distorted corner-sharing NNb4 tetrahedra.
DOI: 10.17188/1317553
title: Materials Data on NbN by Materials Project

description: NbN is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent N3- atoms to form a mixture of edge, corner, and face-sharing NbN6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Nb–N bond lengths are 2.25 Å. N3- is bonded to six equivalent Nb3+ atoms to form a mixture of distorted edge and corner-sharing NNb6 pentagonal pyramids.
DOI: 10.17188/1317554
title: Materials Data on NbPt by Materials Project

description: NbPt is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Nb2+ is bonded to eight equivalent Pt2- atoms to form distorted NbPt8 hexagonal bipyramids that share corners with eighteen equivalent PtNb8Pt4 cuboctahedra, corners with eight equivalent NbPt8 hexagonal bipyramids, edges with four equivalent PtNb8Pt4 cuboctahedra, edges with twelve equivalent NbPt8 hexagonal bipyramids, faces with two equivalent PtNb8Pt4 cuboctahedra, and faces with six equivalent NbPt8 hexagonal bipyramids. There are a spread of Nb–Pt bond distances ranging from 2.82–2.92 Å. Pt2- is bonded to eight equivalent Nb2+ and four equivalent Pt2- atoms to form distorted PtNb8Pt4 cuboctahedra that share corners with ten equivalent PtNb8Pt4 cuboctahedra, corners with eighteen equivalent NbPt8 hexagonal bipyramids, edges with six equivalent PtNb8Pt4 cuboctahedra, edges with four equivalent NbPt8 hexagonal bipyramids, faces with twelve equivalent PtNb8Pt4 cuboctahedra, and faces with two equivalent NbPt8 hexagonal bipyramids. There are two shorter (2.83 Å) and two longer (2.92 Å) Pt–Pt bond lengths.
DOI: 10.17188/1317555
title: Materials Data on NbC by Materials Project

description: NbC is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb4+ is bonded to six equivalent C4- atoms to form a mixture of edge, face, and corner-sharing NbC6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Nb–C bond lengths are 2.29 Å. C4- is bonded to six equivalent Nb4+ atoms to form a mixture of distorted edge and corner-sharing CNb6 pentagonal pyramids.
DOI: 10.17188/1317556
title: Materials Data on NbNi3 by Materials Project

description: Ni3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to fourteen Ni atoms. There are eight shorter (2.54 Å) and six longer (2.93 Å) Nb–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Nb and eight equivalent Ni atoms. All Ni–Ni bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Ni atoms.
DOI: 10.17188/1317557
title: Materials Data on NbC by Materials Project

description: NbC crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb4+ is bonded to five equivalent C4- atoms to form a mixture of corner and edge-sharing NbC5 trigonal bipyramids. There are three shorter (2.14 Å) and two longer (2.24 Å) Nb–C bond lengths. C4- is bonded to five equivalent Nb4+ atoms to form a mixture of corner and edge-sharing CNb5 trigonal bipyramids.
DOI: 10.17188/1317558
title: Materials Data on NbFe3 by Materials Project

description: Fe3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. There are eight shorter (2.56 Å) and six longer (2.96 Å) Nb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Fe atoms. All Fe–Fe bond lengths are 2.56 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to six equivalent Nb and eight equivalent Fe atoms.
DOI: 10.17188/1317559
title: Materials Data on NbCr3 by Materials Project

description: CrCr2Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to fourteen Cr atoms. There are eight shorter (2.58 Å) and six longer (2.98 Å) Nb–Cr bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Cr atoms. All Cr–Cr bond lengths are 2.58 Å. In the second Cr site, Cr is bonded in a distorted body-centered cubic geometry to six equivalent Nb and eight equivalent Cr atoms.
DOI: 10.17188/1317560
title: Materials Data on NbFe3 by Materials Project

description: Fe3Nb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nb is bonded to twelve Fe atoms to form NbFe12 cuboctahedra that share corners with four equivalent NbFe12 cuboctahedra, edges with eight equivalent NbFe12 cuboctahedra, edges with sixteen equivalent FeNb4Fe8 cuboctahedra, faces with four equivalent NbFe12 cuboctahedra, and faces with eight equivalent FeNb4Fe8 cuboctahedra. There are four shorter (2.53 Å) and eight longer (2.73 Å) Nb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted square co-planar geometry to four equivalent Nb and eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.73 Å. In the second Fe site, Fe is bonded to four equivalent Nb and eight Fe atoms to form FeNb4Fe8 cuboctahedra that share corners with twelve equivalent FeNb4Fe8 cuboctahedra, edges with eight equivalent NbFe12 cuboctahedra, edges with eight equivalent FeNb4Fe8 cuboctahedra, faces with four equivalent NbFe12 cuboctahedra, and faces with ten equivalent FeNb4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.53 Å.
DOI: 10.17188/1317561
title: Materials Data on NbCr3 by Materials Project

description: CrCr2Nb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nb is bonded to twelve Cr atoms to form distorted NbCr12 cuboctahedra that share corners with four equivalent NbCr12 cuboctahedra, edges with eight equivalent NbCr12 cuboctahedra, edges with sixteen equivalent CrNb4Cr8 cuboctahedra, faces with four equivalent NbCr12 cuboctahedra, and faces with eight equivalent CrNb4Cr8 cuboctahedra. There are four shorter (2.48 Å) and eight longer (2.83 Å) Nb–Cr bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted square co-planar geometry to four equivalent Nb and eight equivalent Cr atoms. All Cr–Cr bond lengths are 2.83 Å. In the second Cr site, Cr is bonded to four equivalent Nb and eight Cr atoms to form distorted CrNb4Cr8 cuboctahedra that share corners with twelve equivalent CrNb4Cr8 cuboctahedra, edges with eight equivalent NbCr12 cuboctahedra, edges with eight equivalent CrNb4Cr8 cuboctahedra, faces with four equivalent NbCr12 cuboctahedra, and faces with ten equivalent CrNb4Cr8 cuboctahedra. All Cr–Cr bond lengths are 2.48 Å.
DOI: 10.17188/1317562
title: Materials Data on NbCr3 by Materials Project

description: CrCr2Nb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Cr atoms to form NbCr12 cuboctahedra that share corners with twelve equivalent NbCr12 cuboctahedra, edges with twenty-four equivalent CrNb4Cr8 cuboctahedra, faces with six equivalent NbCr12 cuboctahedra, and faces with twelve equivalent CrNb4Cr8 cuboctahedra. All Nb–Cr bond lengths are 2.69 Å. Cr is bonded to four equivalent Nb and eight equivalent Cr atoms to form CrNb4Cr8 cuboctahedra that share corners with twelve equivalent CrNb4Cr8 cuboctahedra, edges with eight equivalent NbCr12 cuboctahedra, edges with sixteen equivalent CrNb4Cr8 cuboctahedra, faces with four equivalent NbCr12 cuboctahedra, and faces with fourteen equivalent CrNb4Cr8 cuboctahedra. All Cr–Cr bond lengths are 2.69 Å.
DOI: 10.17188/1317563
title: Materials Data on Nb3Ni by Materials Project

description: Nb3Ni is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight equivalent Nb and four equivalent Ni atoms to form distorted NbNb8Ni4 cuboctahedra that share corners with four equivalent NbNb8Ni4 cuboctahedra, corners with eight equivalent NiNb12 cuboctahedra, edges with twenty-four NbNb8Ni4 cuboctahedra, faces with six equivalent NiNb12 cuboctahedra, and faces with twelve NbNb8Ni4 cuboctahedra. All Nb–Nb bond lengths are 2.90 Å. All Nb–Ni bond lengths are 2.81 Å. In the second Nb site, Nb is bonded to eight Nb and four equivalent Ni atoms to form NbNb8Ni4 cuboctahedra that share corners with twelve equivalent NbNb8Ni4 cuboctahedra, edges with eight equivalent NiNb12 cuboctahedra, edges with sixteen NbNb8Ni4 cuboctahedra, faces with four equivalent NiNb12 cuboctahedra, and faces with fourteen NbNb8Ni4 cuboctahedra. All Nb–Nb bond lengths are 2.81 Å. All Nb–Ni bond lengths are 2.90 Å. Ni is bonded to twelve Nb atoms to form NiNb12 cuboctahedra that share corners with four equivalent NiNb12 cuboctahedra, corners with eight equivalent NbNb8Ni4 cuboctahedra, edges with eight equivalent NiNb12 cuboctahedra, edges with sixteen equivalent NbNb8Ni4 cuboctahedra, faces with four equivalent NiNb12 cuboctahedra, and faces with fourteen NbNb8Ni4 cuboctahedra.
DOI: 10.17188/1317564
title: Materials Data on Nb3Fe by Materials Project

description: Nb3Fe is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Fe atoms. All Nb–Nb bond lengths are 2.76 Å. All Nb–Fe bond lengths are 3.19 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Fe atoms. All Nb–Fe bond lengths are 2.76 Å. Fe is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms.
DOI: 10.17188/1317565
title: Materials Data on Nb3Ni by Materials Project

description: Nb3Ni is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Ni atoms. All Nb–Nb bond lengths are 2.78 Å. All Nb–Ni bond lengths are 3.21 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Ni atoms. All Nb–Ni bond lengths are 2.78 Å. Ni is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms.
DOI: 10.17188/1317566
title: Materials Data on Ho11Ge10 by Materials Project

description: Ho11Ge10 is delta Molybdenum Boride-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to seven Ge atoms to form a mixture of distorted corner, edge, and face-sharing HoGe7 pentagonal bipyramids. There are a spread of Ho–Ge bond distances ranging from 2.88–3.34 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.78–3.44 Å. In the third Ho site, Ho is bonded in a 8-coordinate geometry to eight Ge atoms. There are four shorter (3.21 Å) and four longer (3.26 Å) Ho–Ge bond lengths. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.91–3.09 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to eight Ho atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ho atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to eight Ho atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to eight Ho and one Ge atom. The Ge–Ge bond length is 2.58 Å.
DOI: 10.17188/1317567
title: Materials Data on Nb3Ni by Materials Project

description: Nb3Ni is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to eight equivalent Nb and four equivalent Ni atoms to form NbNb8Ni4 cuboctahedra that share corners with twelve equivalent NbNb8Ni4 cuboctahedra, edges with eight equivalent NiNb12 cuboctahedra, edges with sixteen equivalent NbNb8Ni4 cuboctahedra, faces with four equivalent NiNb12 cuboctahedra, and faces with fourteen equivalent NbNb8Ni4 cuboctahedra. All Nb–Nb bond lengths are 2.86 Å. All Nb–Ni bond lengths are 2.86 Å. Ni is bonded to twelve equivalent Nb atoms to form NiNb12 cuboctahedra that share corners with twelve equivalent NiNb12 cuboctahedra, edges with twenty-four equivalent NbNb8Ni4 cuboctahedra, faces with six equivalent NiNb12 cuboctahedra, and faces with twelve equivalent NbNb8Ni4 cuboctahedra.