cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1275921
title: Materials Data on PrRe2 by Materials Project

description: PrRe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve equivalent Re atoms. All Pr–Re bond lengths are 3.25 Å. Re is bonded to six equivalent Pr and six equivalent Re atoms to form a mixture of edge, face, and corner-sharing RePr6Re6 cuboctahedra. All Re–Re bond lengths are 2.77 Å.
DOI: 10.17188/1275922
title: Materials Data on Li2UI6 by Materials Project

description: Li2UI6 is trigonal omega-derived structured and crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two Li2UI6 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share edges with three equivalent LiI6 octahedra and edges with three equivalent UI6 octahedra. All Li–I bond lengths are 3.04 Å. U4+ is bonded to six equivalent I1- atoms to form UI6 octahedra that share edges with six equivalent LiI6 octahedra. All U–I bond lengths are 3.02 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one U4+ atom.
DOI: 10.17188/1275923
title: Materials Data on Ho5Ga3 by Materials Project

description: Ho5Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to five equivalent Ga atoms. There are a spread of Ho–Ga bond distances ranging from 3.02–3.54 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Ga atoms. All Ho–Ga bond lengths are 3.07 Å. Ga is bonded in a 9-coordinate geometry to nine Ho atoms.
DOI: 10.17188/1275924
title: Materials Data on Cu2P8Se3I2 by Materials Project

description: (CuI)2P8Se3 crystallizes in the orthorhombic Pbcm space group. The structure is zero-dimensional and consists of four iodocopper molecules, eight phosphine molecules, and twelve PPSe clusters. In each PPSe cluster, P+0.75+ is bonded in a distorted single-bond geometry to one Se2- atom. The P–Se bond length is 2.28 Å. Se2- is bonded in an L-shaped geometry to two equivalent P+0.75+ atoms.
DOI: 10.17188/1275925
title: Materials Data on La4CdRu by Materials Project

description: La4RuCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Ru and three equivalent Cd atoms. All La–Ru bond lengths are 3.00 Å. All La–Cd bond lengths are 3.66 Å. In the second La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and two equivalent Cd atoms. Both La–Ru bond lengths are 2.86 Å. Both La–Cd bond lengths are 3.67 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent Ru and two equivalent Cd atoms. Both La–Ru bond lengths are 3.61 Å. Both La–Cd bond lengths are 3.46 Å. Ru is bonded in a 6-coordinate geometry to nine La atoms. Cd is bonded to nine La and three equivalent Cd atoms to form a mixture of corner and face-sharing CdLa9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.18 Å.
DOI: 10.17188/1275926
title: Materials Data on Tb3AlC by Materials Project

description: Tb3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Tb–Al bond lengths are 3.48 Å. Both Tb–C bond lengths are 2.46 Å. Al is bonded to twelve equivalent Tb atoms to form AlTb12 cuboctahedra that share corners with twelve equivalent AlTb12 cuboctahedra, faces with six equivalent AlTb12 cuboctahedra, and faces with eight equivalent CTb6 octahedra. C is bonded to six equivalent Tb atoms to form CTb6 octahedra that share corners with six equivalent CTb6 octahedra and faces with eight equivalent AlTb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.5281/zenodo.4480222
title: Response of Transient Baselevel Knickpoints to Erosional Efficiency Contrasts in Bedrock Streams

description: Spreadsheet of model parameters used for simulations referenced in the main text, data extracted from simulation runs, and fits applied to extracted data. Videos of runs referenced in manuscript. The model and function used to run and process simulations are available at: https://github.com/josh-wolpert/base-fall-layered-strat
DOI: 10.17188/1275927
title: Materials Data on Ba(BSe3)2 by Materials Project

description: Ba(BSe3)2 crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four barium molecules and four BSe3 clusters. In each BSe3 cluster, B3- is bonded to four Se+0.67+ atoms to form edge-sharing BSe4 tetrahedra. There are two shorter (2.05 Å) and two longer (2.09 Å) B–Se bond lengths. There are two inequivalent Se+0.67+ sites. In the first Se+0.67+ site, Se+0.67+ is bonded in a distorted L-shaped geometry to two equivalent B3- atoms. In the second Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom.
DOI: 10.17188/1275928
title: Materials Data on VSnRh2 by Materials Project

description: VRh2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All V–Rh bond lengths are 2.74 Å. Rh is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.74 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1275930
title: Materials Data on VINCl3 by Materials Project

description: VNICl3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one VNICl3 ribbon oriented in the (1, 1, 0) direction. V5+ is bonded in a 1-coordinate geometry to one N1- and four Cl1- atoms. The V–N bond length is 2.38 Å. There are a spread of V–Cl bond distances ranging from 1.83–2.54 Å. N1- is bonded in a 4-coordinate geometry to one V5+, one I1-, and two Cl1- atoms. The N–I bond length is 2.47 Å. There are one shorter (2.13 Å) and one longer (3.06 Å) N–Cl bond lengths. I1- is bonded in a 1-coordinate geometry to one N1- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one V5+ and one N1- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V5+ and one N1- atom. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent V5+ atoms.
DOI: 10.17188/1275931
title: Materials Data on U3NbSb5 by Materials Project

description: U3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U+3.33+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.14–3.24 Å. Nb5+ is bonded to six equivalent Sb3- atoms to form face-sharing NbSb6 octahedra. All Nb–Sb bond lengths are 2.89 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six equivalent U+3.33+ and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 3.06 Å. In the second Sb3- site, Sb3- is bonded to five equivalent U+3.33+ and two equivalent Nb5+ atoms to form a mixture of distorted face, edge, and corner-sharing SbU5Nb2 pentagonal bipyramids.
DOI: 10.17188/1275932
title: Materials Data on SrPt5 by Materials Project

description: SrPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to eighteen Pt+0.40- atoms. There are six shorter (3.18 Å) and twelve longer (3.52 Å) Sr–Pt bond lengths. There are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded to four equivalent Sr2+ and eight Pt+0.40- atoms to form a mixture of edge, corner, and face-sharing PtSr4Pt8 cuboctahedra. There are four shorter (2.71 Å) and four longer (2.75 Å) Pt–Pt bond lengths. In the second Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to three equivalent Sr2+ and six equivalent Pt+0.40- atoms.
DOI: 10.17188/1275934
title: Materials Data on Cs(AsRu)2 by Materials Project

description: Cs(RuAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Cs–As bond lengths are 3.76 Å. Ru+2.50+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing RuAs4 tetrahedra. All Ru–As bond lengths are 2.44 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Ru+2.50+ atoms.
DOI: 10.17188/1275935
title: Materials Data on CdHg4(AsI2)2 by Materials Project

description: (Hg2As)2(CdI4) crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to two As3- and three I1- atoms to form HgAs2I3 trigonal bipyramids that share corners with three equivalent CdI4 tetrahedra, corners with two equivalent HgAs2I3 trigonal bipyramids, and an edgeedge with one HgAs2I3 trigonal bipyramid. Both Hg–As bond lengths are 2.57 Å. There are a spread of Hg–I bond distances ranging from 3.48–3.54 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to two As3- and two I1- atoms. There are one shorter (2.57 Å) and one longer (2.58 Å) Hg–As bond lengths. There are one shorter (3.39 Å) and one longer (3.63 Å) Hg–I bond lengths. In the third Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to two As3- and four I1- atoms. There are one shorter (2.57 Å) and one longer (2.58 Å) Hg–As bond lengths. There are a spread of Hg–I bond distances ranging from 3.58–3.86 Å. In the fourth Hg2+ site, Hg2+ is bonded to two As3- and three I1- atoms to form distorted HgAs2I3 trigonal bipyramids that share corners with three equivalent CdI4 tetrahedra, corners with two equivalent HgAs2I3 trigonal bipyramids, and an edgeedge with one HgAs2I3 trigonal bipyramid. Both Hg–As bond lengths are 2.57 Å. There are a spread of Hg–I bond distances ranging from 3.44–3.87 Å. Cd2+ is bonded to four I1- atoms to form CdI4 tetrahedra that share corners with six HgAs2I3 trigonal bipyramids. There are a spread of Cd–I bond distances ranging from 2.81–2.87 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four Hg2+ atoms to form corner-sharing AsHg4 tetrahedra. In the second As3- site, As3- is bonded to four Hg2+ atoms to form corner-sharing AsHg4 tetrahedra. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to three Hg2+ and one Cd2+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to three Hg2+ and one Cd2+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to three Hg2+ and one Cd2+ atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to three Hg2+ and one Cd2+ atom.
DOI: 10.17188/1275936
title: Materials Data on Tm(GeRh)2 by Materials Project

description: Tm(RhGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Tm–Rh bond lengths are 3.30 Å. All Tm–Ge bond lengths are 3.17 Å. Rh is bonded to four equivalent Tm and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing RhTm4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tm, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.48 Å.
DOI: 10.17188/1275937
title: Materials Data on Ga3Os by Materials Project

description: OsGa3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Os is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Os–Ga bond distances ranging from 2.46–2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to three equivalent Os atoms. In the second Ga site, Ga is bonded in a linear geometry to two equivalent Os atoms.
DOI: 10.17188/1275938
title: Materials Data on Zn(GaNi)3 by Materials Project

description: Zn(NiGa)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ni is bonded in a distorted body-centered cubic geometry to two equivalent Zn and six equivalent Ga atoms. Both Ni–Zn bond lengths are 2.48 Å. There are a spread of Ni–Ga bond distances ranging from 2.45–2.57 Å. Zn is bonded to six equivalent Ni atoms to form distorted corner-sharing ZnNi6 cuboctahedra. Ga is bonded in a 6-coordinate geometry to six equivalent Ni atoms.
DOI: 10.17188/1275939
title: Materials Data on HgCN2 by Materials Project

description: HgCN2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two HgCN2 ribbons oriented in the (0, 1, 0) direction. Hg2+ is bonded in a 2-coordinate geometry to two equivalent N3- atoms. Both Hg–N bond lengths are 2.11 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.20 Å) and one longer (1.29 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one C4+ atom.
DOI: 10.17188/1275940
title: Materials Data on Mg5Tl2 by Materials Project

description: Mg5Tl2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Mg and four equivalent Tl atoms. Both Mg–Mg bond lengths are 3.22 Å. There are a spread of Mg–Tl bond distances ranging from 2.99–3.22 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to one Mg and four equivalent Tl atoms. The Mg–Mg bond length is 3.37 Å. There are two shorter (2.99 Å) and two longer (3.12 Å) Mg–Tl bond lengths. In the third Mg site, Mg is bonded to eight Mg and four equivalent Tl atoms to form a mixture of distorted corner and face-sharing MgMg8Tl4 cuboctahedra. Both Mg–Mg bond lengths are 3.12 Å. All Mg–Tl bond lengths are 3.08 Å. Tl is bonded in a distorted q6 geometry to ten Mg atoms.
DOI: 10.17188/1275941
title: Materials Data on LiCa2InGe2 by Materials Project

description: LiCa2InGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to one In and four Ge atoms. The Li–In bond length is 2.95 Å. There are a spread of Li–Ge bond distances ranging from 2.70–2.83 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to three equivalent In and five Ge atoms. There are two shorter (3.56 Å) and one longer (3.65 Å) Ca–In bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.09–3.19 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to four equivalent In and five Ge atoms. There are two shorter (3.32 Å) and two longer (3.48 Å) Ca–In bond lengths. There are a spread of Ca–Ge bond distances ranging from 3.10–3.16 Å. In is bonded in a 12-coordinate geometry to one Li, seven Ca, and four Ge atoms. There are a spread of In–Ge bond distances ranging from 2.83–2.87 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to one Li, six Ca, and two equivalent In atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four Ca, and two equivalent In atoms.
DOI: 10.17188/1275942
title: Materials Data on SrCeI4 by Materials Project

description: SrCeI4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Sr–I bond distances ranging from 3.37–3.56 Å. Ce is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Ce–I bond distances ranging from 3.31–3.42 Å. There are four inequivalent I sites. In the first I site, I is bonded in a distorted see-saw-like geometry to two equivalent Sr and two equivalent Ce atoms. In the second I site, I is bonded to two equivalent Sr and two equivalent Ce atoms to form a mixture of distorted edge and corner-sharing ISr2Ce2 trigonal pyramids. In the third I site, I is bonded to two equivalent Sr and two equivalent Ce atoms to form a mixture of distorted edge and corner-sharing ISr2Ce2 trigonal pyramids. In the fourth I site, I is bonded in a distorted see-saw-like geometry to two equivalent Sr and two equivalent Ce atoms.
DOI: 10.17188/1275943
title: Materials Data on SmAgPb by Materials Project

description: SmAgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Pb atoms. There are three shorter (3.17 Å) and three longer (3.66 Å) Sm–Ag bond lengths. There are three shorter (3.28 Å) and three longer (3.53 Å) Sm–Pb bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Pb atoms. There are three shorter (2.89 Å) and one longer (3.15 Å) Ag–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Ag atoms.
DOI: 10.17188/1275944
title: Materials Data on Y(AlCl4)3 by Materials Project

description: Y(AlCl4)3 crystallizes in the trigonal P3_112 space group. The structure is one-dimensional and consists of one Y(AlCl4)3 ribbon oriented in the (0, 0, 1) direction. Y3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Y–Cl bond distances ranging from 2.74–2.93 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.10–2.24 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.
DOI: 10.17188/1275945
title: Materials Data on AgCl by Materials Project

description: AgCl crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two AgCl sheets oriented in the (0, 1, 0) direction. Ag1+ is bonded in a 5-coordinate geometry to five equivalent Cl1- atoms. There are four shorter (2.75 Å) and one longer (3.02 Å) Ag–Cl bond lengths. Cl1- is bonded in a 5-coordinate geometry to five equivalent Ag1+ atoms.
DOI: 10.17188/1275946
title: Materials Data on DySn3 by Materials Project

description: DySn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Sn atoms to form a mixture of corner and face-sharing DySn12 cuboctahedra. All Dy–Sn bond lengths are 3.33 Å. Sn is bonded in a distorted square co-planar geometry to four equivalent Dy atoms.
DOI: 10.17188/1275947
title: Materials Data on CrCoPt2 by Materials Project

description: CrCoPt2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Pt2- atoms. All Cr–Pt bond lengths are 2.68 Å. Co2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Pt2- atoms. All Co–Pt bond lengths are 2.68 Å. Pt2- is bonded to four equivalent Cr2+, four equivalent Co2+, and four equivalent Pt2- atoms to form a mixture of distorted edge, corner, and face-sharing PtCr4Co4Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.70 Å.
DOI: 10.17188/1275948
title: Materials Data on Er5NiPb3 by Materials Project

description: Er5NiPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to two equivalent Ni and five equivalent Pb atoms. Both Er–Ni bond lengths are 2.73 Å. There are a spread of Er–Pb bond distances ranging from 3.17–3.64 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Er–Pb bond lengths are 3.24 Å. Ni is bonded to six equivalent Er atoms to form face-sharing NiEr6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Er atoms.
DOI: 10.17188/1275949
title: Materials Data on Er3Mn3Ga2Si by Materials Project

description: Er3Mn3Ga2Si crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to six equivalent Mn, four equivalent Ga, and one Si atom. There are four shorter (3.16 Å) and two longer (3.27 Å) Er–Mn bond lengths. All Er–Ga bond lengths are 2.89 Å. The Er–Si bond length is 2.86 Å. Mn is bonded in a 12-coordinate geometry to six equivalent Er, two equivalent Mn, two equivalent Ga, and two equivalent Si atoms. Both Mn–Mn bond lengths are 2.68 Å. Both Mn–Ga bond lengths are 2.83 Å. Both Mn–Si bond lengths are 2.49 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Mn atoms. Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Mn atoms.
DOI: 10.17188/1275950
title: Materials Data on LiNb3InCl9 by Materials Project

description: LiNb3InCl9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one LiNb3InCl9 cluster. Li1+ is bonded in a 1-coordinate geometry to three Cl1- atoms. There are a spread of Li–Cl bond distances ranging from 2.13–2.93 Å. There are three inequivalent Nb+2.33+ sites. In the first Nb+2.33+ site, Nb+2.33+ is bonded in a 3-coordinate geometry to four Cl1- atoms. There are a spread of Nb–Cl bond distances ranging from 2.03–2.62 Å. In the second Nb+2.33+ site, Nb+2.33+ is bonded in a 2-coordinate geometry to one Nb+2.33+ and three Cl1- atoms. The Nb–Nb bond length is 1.85 Å. There are a spread of Nb–Cl bond distances ranging from 2.14–2.42 Å. In the third Nb+2.33+ site, Nb+2.33+ is bonded in a 1-coordinate geometry to one Nb+2.33+ and three Cl1- atoms. There are a spread of Nb–Cl bond distances ranging from 1.92–2.44 Å. In1+ is bonded in a 2-coordinate geometry to two Cl1- atoms. There are one shorter (2.28 Å) and one longer (2.76 Å) In–Cl bond lengths. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Nb+2.33+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Nb+2.33+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Li1+, one Nb+2.33+, and one Cl1- atom. The Cl–Cl bond length is 2.06 Å. In the fourth Cl1- site, Cl1- is bonded in a water-like geometry to two Nb+2.33+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Nb+2.33+ atom. In the sixth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Li1+ and one In1+ atom. In the seventh Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Li1+, two Nb+2.33+, and two Cl1- atoms. The Cl–Cl bond length is 2.04 Å. In the eighth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Nb+2.33+ and one Cl1- atom. In the ninth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Nb+2.33+ and one In1+ atom.