cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1282124
title: Materials Data on ThSiAu by Materials Project

description: ThAuSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th is bonded to six equivalent Au and six equivalent Si atoms to form a mixture of edge and face-sharing ThSi6Au6 cuboctahedra. All Th–Au bond lengths are 3.25 Å. All Th–Si bond lengths are 3.25 Å. Au is bonded in a distorted trigonal planar geometry to six equivalent Th and three equivalent Si atoms. All Au–Si bond lengths are 2.50 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Th and three equivalent Au atoms.
DOI: 10.17188/1282125
title: Materials Data on Tm(SiRh)2 by Materials Project

description: Tm(RhSi)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 Si atoms. All Tm–Rh bond lengths are 3.20 Å. All Tm–Si bond lengths are 3.11 Å. Rh is bonded to four equivalent Tm and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing RhTm4Si4 tetrahedra. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 9-coordinate geometry to four equivalent Tm, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.40 Å.
DOI: 10.17188/1282126
title: Materials Data on LiCuS2 by Materials Project

description: LiCuS2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form distorted edge-sharing LiS6 octahedra. There are two shorter (2.56 Å) and four longer (2.68 Å) Li–S bond lengths. Cu3+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.24 Å. S2- is bonded in a 5-coordinate geometry to three equivalent Li1+ and two equivalent Cu3+ atoms.
DOI: 10.17188/1282127
title: Materials Data on BaSbPt by Materials Project

description: BaPtSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Pt and six equivalent Sb atoms to form a mixture of edge and face-sharing BaSb6Pt6 cuboctahedra. All Ba–Pt bond lengths are 3.64 Å. All Ba–Sb bond lengths are 3.64 Å. Pt is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Sb atoms. All Pt–Sb bond lengths are 2.66 Å. Sb is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Pt atoms.
DOI: 10.17188/1282128
title: Materials Data on ThP by Materials Project

description: PTh is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded to six equivalent P atoms to form a mixture of corner and edge-sharing ThP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–P bond lengths are 2.93 Å. P is bonded to six equivalent Th atoms to form a mixture of corner and edge-sharing PTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1282129
title: Materials Data on DyAlO3 by Materials Project

description: DyAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy3+ is bonded to twelve equivalent O2- atoms to form DyO12 cuboctahedra that share corners with twelve equivalent DyO12 cuboctahedra, faces with six equivalent DyO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Dy–O bond lengths are 2.62 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 DyO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent Dy3+ and two equivalent Al3+ atoms.
DOI: 10.17188/1282130
title: Materials Data on TiCo by Materials Project

description: CoTi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ti–Co bond lengths are 2.58 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1282131
title: Materials Data on Li3ClO by Materials Project

description: Li3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Li–O bond lengths are 1.95 Å. All Li–Cl bond lengths are 2.76 Å. O2- is bonded to six equivalent Li1+ atoms to form OLi6 octahedra that share corners with six equivalent OLi6 octahedra and faces with eight equivalent ClLi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Li1+ atoms to form ClLi12 cuboctahedra that share corners with twelve equivalent ClLi12 cuboctahedra, faces with six equivalent ClLi12 cuboctahedra, and faces with eight equivalent OLi6 octahedra.
DOI: 10.17188/1282132
title: Materials Data on NaCrH8(NF3)2 by Materials Project

description: (NH4)2NaCrF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaCrF6 framework. In the NaCrF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.37 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.95 Å. F1- is bonded in a linear geometry to one Na1+ and one Cr3+ atom.
DOI: 10.17188/1282134
title: Materials Data on Li2TiCr3O8 (SG:186) 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: 10.17188/1282135
title: Materials Data on Sr(SnAs)2 by Materials Project

description: Sr(SnAs)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sr(SnAs)2 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded to six equivalent As3- atoms to form edge-sharing SrAs6 octahedra. All Sr–As bond lengths are 3.17 Å. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.83 Å. As3- is bonded to three equivalent Sr2+ and three equivalent Sn2+ atoms to form a mixture of edge and corner-sharing AsSr3Sn3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1282136
title: Materials Data on V3CoSn2(PO4)6 (SG:146) 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: 10.17188/1282137
title: Materials Data on LiCuO2 by Materials Project

description: LiCuO2 is Ilmenite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with six equivalent CuO6 octahedra, corners with six equivalent LiO4 trigonal pyramids, and edges with three equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 3–60°. There is one shorter (1.89 Å) and three longer (2.00 Å) Li–O bond length. Cu3+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent LiO4 trigonal pyramids, edges with six equivalent CuO6 octahedra, and edges with three equivalent LiO4 trigonal pyramids. There are three shorter (1.99 Å) and three longer (2.07 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Cu3+ atoms to form OLi3Cu3 octahedra that share corners with six equivalent OLiCu3 trigonal pyramids, edges with six equivalent OLi3Cu3 octahedra, and edges with three equivalent OLiCu3 trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Cu3+ atoms to form distorted OLiCu3 trigonal pyramids that share corners with six equivalent OLi3Cu3 octahedra, corners with six equivalent OLiCu3 trigonal pyramids, and edges with three equivalent OLi3Cu3 octahedra. The corner-sharing octahedra tilt angles range from 4–59°.
DOI: 10.17188/1282138
title: Materials Data on MgPd3 by Materials Project

description: MgPd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Pd atoms to form a mixture of face and corner-sharing MgPd12 cuboctahedra. All Mg–Pd bond lengths are 2.81 Å. Pd is bonded in a distorted square co-planar geometry to four equivalent Mg atoms.
DOI: 10.17188/1282139
title: Materials Data on HgSe by Materials Project

description: HgSe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form corner-sharing HgSe4 tetrahedra. All Hg–Se bond lengths are 2.72 Å. Se2- is bonded to four equivalent Hg2+ atoms to form corner-sharing SeHg4 tetrahedra.
DOI: 10.17188/1282140
title: Materials Data on Ba2Nb8O11 by Materials Project

description: Ba2Nb8O11 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are eight shorter (2.91 Å) and two longer (3.00 Å) Ba–O bond lengths. There are three inequivalent Nb+2.25+ sites. In the first Nb+2.25+ site, Nb+2.25+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.12 Å) and two longer (2.13 Å) Nb–O bond lengths. In the second Nb+2.25+ site, Nb+2.25+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Nb–O bond lengths are 2.12 Å. In the third Nb+2.25+ site, Nb+2.25+ is bonded to five O2- atoms to form corner-sharing NbO5 square pyramids. There are one shorter (2.09 Å) and four longer (2.13 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Nb+2.25+ atoms. In the second O2- site, O2- is bonded to two equivalent Ba2+ and three Nb+2.25+ atoms to form a mixture of distorted corner and edge-sharing OBa2Nb3 trigonal bipyramids. In the third O2- site, O2- is bonded in a square co-planar geometry to four equivalent Nb+2.25+ atoms.
DOI: 10.17188/1282141
title: Materials Data on La3TlC by Materials Project

description: La3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All La–Tl bond lengths are 3.71 Å. Both La–C bond lengths are 2.62 Å. Tl is bonded to twelve equivalent La atoms to form TlLa12 cuboctahedra that share corners with twelve equivalent TlLa12 cuboctahedra, faces with six equivalent TlLa12 cuboctahedra, and faces with eight equivalent CLa6 octahedra. C is bonded to six equivalent La atoms to form CLa6 octahedra that share corners with six equivalent CLa6 octahedra and faces with eight equivalent TlLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1282142
title: Materials Data on Li3P by Materials Project

description: Li3P is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Li–P bond lengths are 2.45 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are one shorter (2.53 Å) and three longer (2.75 Å) Li–P bond lengths. P3- is bonded in a 5-coordinate geometry to eleven Li1+ atoms.
DOI: 10.17188/1282143
title: Materials Data on Nd5(FeB3)2 by Materials Project

description: Nd5Fe2B6 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three neodymium molecules and three Nd2FeB3 sheets oriented in the (0, 0, 1) direction. In each Nd2FeB3 sheet, there are two inequivalent Nd+2.80+ sites. In the first Nd+2.80+ site, Nd+2.80+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Nd–B bond lengths are 2.73 Å. In the second Nd+2.80+ site, Nd+2.80+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Nd–B bond lengths are 2.75 Å. Fe2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Fe–B bond lengths are 2.13 Å. B3- is bonded in a 9-coordinate geometry to four Nd+2.80+, two equivalent Fe2+, and three equivalent B3- atoms. All B–B bond lengths are 1.83 Å.
DOI: 10.17188/1282144
title: Materials Data on Tb(CrSi)2 by Materials Project

description: TbCr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.00 Å. Cr+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CrSi4 tetrahedra. All Cr–Si bond lengths are 2.41 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Cr+2.50+, and one Si4- atom. The Si–Si bond length is 2.48 Å.
DOI: 10.17188/1282145
title: Materials Data on RbAl11O17 by Materials Project

description: RbAl11O17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.93 Å) and three longer (3.26 Å) Rb–O bond lengths. There are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with five AlO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.82–2.05 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six equivalent AlO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There is one shorter (1.73 Å) and three longer (1.80 Å) Al–O bond length. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–58°. There is three shorter (1.82 Å) and one longer (1.84 Å) Al–O bond length. In the fourth Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six equivalent AlO6 octahedra. All Al–O bond lengths are 1.91 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Al3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and three Al3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to three equivalent Rb1+ and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Al3+ atoms. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Al3+ atoms.
DOI: 10.17188/1282147
title: Materials Data on HoHfRu2 by Materials Project

description: HoHfRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ho–Ru bond lengths are 2.87 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Hf–Ru bond lengths are 2.87 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Hf atoms.
DOI: 10.17188/1282148
title: Materials Data on CsB2H5O6 (SG:14) 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: 10.17188/1282149
title: Materials Data on Na3Sr(BO2)5 by Materials Project

description: Na3SrB5O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.70 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.74 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.76 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.85 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.43 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.42 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.43 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.42 Å. In the fifth B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.47–1.50 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one Sr2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Sr2+, and two B3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+, one Sr2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, two equivalent Sr2+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+, one Sr2+, and two B3+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and two B3+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Sr2+, and one B3+ atom.
DOI: 10.17188/1282150
title: Materials Data on Mn3OF5 (SG:12) 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: 10.17188/1282152
title: Materials Data on LiCeO2 by Materials Project

description: LiCeO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with five equivalent CeO7 pentagonal bipyramids, corners with four equivalent LiO4 trigonal pyramids, edges with three equivalent CeO7 pentagonal bipyramids, and a faceface with one CeO7 pentagonal bipyramid. There are a spread of Li–O bond distances ranging from 1.94–2.16 Å. Ce3+ is bonded to seven O2- atoms to form distorted CeO7 pentagonal bipyramids that share corners with four equivalent CeO7 pentagonal bipyramids, corners with five equivalent LiO4 trigonal pyramids, edges with seven equivalent CeO7 pentagonal bipyramids, edges with three equivalent LiO4 trigonal pyramids, and a faceface with one LiO4 trigonal pyramid. There are a spread of Ce–O bond distances ranging from 2.37–2.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+ and four equivalent Ce3+ atoms to form a mixture of distorted edge, corner, and face-sharing OLi2Ce4 octahedra. The corner-sharing octahedra tilt angles range from 58–60°. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+ and three equivalent Ce3+ atoms.
DOI: 10.17188/1282153
title: Materials Data on Mn12O7F17 (SG:1) 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: 10.17188/1282155
title: Materials Data on Li2WS4 by Materials Project

description: Li2WS4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with four equivalent LiS6 octahedra, corners with two equivalent WS4 tetrahedra, edges with four LiS6 octahedra, and edges with two equivalent WS4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–57°. There are a spread of Li–S bond distances ranging from 2.65–2.75 Å. In the second Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with eight LiS6 octahedra, corners with four equivalent WS4 tetrahedra, edges with two equivalent LiS6 octahedra, and an edgeedge with one WS4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–57°. There are a spread of Li–S bond distances ranging from 2.61–2.81 Å. W6+ is bonded to four S2- atoms to form WS4 tetrahedra that share corners with six LiS6 octahedra and edges with three LiS6 octahedra. The corner-sharing octahedra tilt angles range from 54–57°. There are a spread of W–S bond distances ranging from 2.20–2.22 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one W6+ atom. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Li1+ and one W6+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one W6+ atom.