cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1717553
title: Materials Data on Lu3In5 by Materials Project

description: Lu3In5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to nine In atoms. There are a spread of Lu–In bond distances ranging from 2.97–3.60 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Lu–In bond distances ranging from 3.14–3.59 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Lu and four In atoms. There are a spread of In–In bond distances ranging from 2.95–3.18 Å. In the second In site, In is bonded in a 1-coordinate geometry to five Lu and four In atoms. There are one shorter (3.15 Å) and one longer (3.16 Å) In–In bond lengths. In the third In site, In is bonded in a 10-coordinate geometry to six Lu and four In atoms. In the fourth In site, In is bonded in a 4-coordinate geometry to six Lu and two equivalent In atoms.
DOI: 10.17188/1717554
title: Materials Data on Mn3FeO8 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: 10.17188/1717556
title: Materials Data on AgHg3 by Materials Project

description: AgHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag is bonded to twelve equivalent Hg atoms to form AgHg12 cuboctahedra that share corners with twelve equivalent AgHg12 cuboctahedra, edges with twenty-four equivalent HgAg4Hg8 cuboctahedra, faces with six equivalent AgHg12 cuboctahedra, and faces with twelve equivalent HgAg4Hg8 cuboctahedra. All Ag–Hg bond lengths are 3.19 Å. Hg is bonded to four equivalent Ag and eight equivalent Hg atoms to form HgAg4Hg8 cuboctahedra that share corners with twelve equivalent HgAg4Hg8 cuboctahedra, edges with eight equivalent AgHg12 cuboctahedra, edges with sixteen equivalent HgAg4Hg8 cuboctahedra, faces with four equivalent AgHg12 cuboctahedra, and faces with fourteen equivalent HgAg4Hg8 cuboctahedra. All Hg–Hg bond lengths are 3.19 Å.
DOI: 10.17188/1717557
title: Materials Data on Ti3AlO6 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: 10.17188/1717558
title: Materials Data on Ca8Ti2Mn6O23 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: 10.17188/1717559
title: Materials Data on Mn3OF8 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: 10.17188/1717560
title: Materials Data on ThCoSi3 by Materials Project

description: ThCoSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Co and twelve Si atoms. There are one shorter (3.21 Å) and four longer (3.33 Å) Th–Co bond lengths. There are a spread of Th–Si bond distances ranging from 3.04–3.23 Å. Co is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.27 Å) and four longer (2.29 Å) Co–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Th, one Co, and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Th, two equivalent Co, and two equivalent Si atoms.
DOI: 10.17188/1717561
title: Materials Data on EuCu(WO4)2 by Materials Project

description: EuCu(WO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–2.75 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.82–2.17 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.36 Å. Cu1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.88–1.99 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+, one W6+, and one Cu1+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three W6+ and one Cu1+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+, one W6+, and one Cu1+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+ and two W6+ atoms.
DOI: 10.17188/1717562
title: Materials Data on Er2PdPt by Materials Project

description: Er2PtPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Pd atoms. All Er–Pt bond lengths are 3.00 Å. All Er–Pd bond lengths are 3.00 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1717563
title: Materials Data on Dy(ZnP)3 by Materials Project

description: Dy(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent P3- atoms to form DyP6 octahedra that share corners with six equivalent ZnP4 tetrahedra, edges with six equivalent DyP6 octahedra, and edges with six equivalent ZnP4 tetrahedra. All Dy–P bond lengths are 2.85 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Zn–P bond lengths are 2.31 Å. In the second Zn2+ site, Zn2+ is bonded to four P3- atoms to form ZnP4 tetrahedra that share corners with three equivalent DyP6 octahedra, corners with seven equivalent ZnP4 tetrahedra, and edges with three equivalent DyP6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are one shorter (2.41 Å) and three longer (2.48 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to three equivalent Dy3+ and three equivalent Zn2+ atoms to form PDy3Zn3 octahedra that share corners with three equivalent PDy3Zn3 octahedra, corners with three equivalent PZn5 trigonal bipyramids, and edges with nine equivalent PDy3Zn3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second P3- site, P3- is bonded to five Zn2+ atoms to form PZn5 trigonal bipyramids that share corners with six equivalent PDy3Zn3 octahedra and corners with six equivalent PZn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 69°.
DOI: 10.17188/1717564
title: Materials Data on Li2CrSiO4 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: 10.17188/1717565
title: Materials Data on SmAsRuO by Materials Project

description: SmRuAsO crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sm–As bond lengths are 3.36 Å. All Sm–O bond lengths are 2.33 Å. Ru2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing RuAs4 tetrahedra. All Ru–As bond lengths are 2.44 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Ru2+ atoms. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OSm4 tetrahedra.
DOI: 10.17188/1717566
title: Materials Data on MoHO3 by Materials Project

description: MoO2OH crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Mo5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 6–28°. There are a spread of Mo–O bond distances ranging from 1.77–2.20 Å. H1+ is bonded in a distorted single-bond geometry to two equivalent O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mo5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Mo5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo5+ and two equivalent H1+ atoms.
DOI: 10.17188/1717567
title: Materials Data on Sc2GaRh by Materials Project

description: Sc2RhGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2RhGa ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Rh and one Ga atom. The Sc–Rh bond length is 2.28 Å. The Sc–Ga bond length is 2.74 Å. Rh is bonded in a linear geometry to two equivalent Sc atoms. Ga is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1717568
title: Materials Data on Ce4Pt by Materials Project

description: Ce4Pt is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Ce4Pt clusters. Ce is bonded in a single-bond geometry to one Pt atom. The Ce–Pt bond length is 2.70 Å. Pt is bonded in a tetrahedral geometry to four equivalent Ce atoms.
DOI: 10.17188/1717569
title: Materials Data on Sc6Al16Pd7 by Materials Project

description: Sc6Pd7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to four equivalent Pd and eight Al atoms. All Sc–Pd bond lengths are 3.20 Å. There are four shorter (2.93 Å) and four longer (3.16 Å) Sc–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Sc and eight Al atoms to form distorted PdSc4Al8 cuboctahedra that share corners with four equivalent PdSc4Al8 cuboctahedra, corners with eight equivalent AlSc3Pd4 tetrahedra, edges with four equivalent AlSc3Pd4 tetrahedra, and faces with eight equivalent PdSc4Al8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.73 Å) Pd–Al bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pd–Al bond lengths are 2.60 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sc and three equivalent Pd atoms. In the second Al site, Al is bonded to three equivalent Sc and four Pd atoms to form distorted AlSc3Pd4 tetrahedra that share corners with six equivalent PdSc4Al8 cuboctahedra, corners with seven equivalent AlSc3Pd4 tetrahedra, edges with three equivalent PdSc4Al8 cuboctahedra, edges with three equivalent AlSc3Pd4 tetrahedra, and faces with three equivalent AlSc3Pd4 tetrahedra.
DOI: 10.17188/1717570
title: Materials Data on YbZnCuP2 by Materials Project

description: YbCuZnP2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Yb3+ is bonded to six P3- atoms to form YbP6 octahedra that share corners with six equivalent CuP4 tetrahedra, corners with six equivalent ZnP4 tetrahedra, edges with six equivalent YbP6 octahedra, edges with three equivalent CuP4 tetrahedra, and edges with three equivalent ZnP4 tetrahedra. There are three shorter (2.89 Å) and three longer (2.90 Å) Yb–P bond lengths. Cu1+ is bonded to four P3- atoms to form CuP4 tetrahedra that share corners with six equivalent YbP6 octahedra, corners with six equivalent CuP4 tetrahedra, edges with three equivalent YbP6 octahedra, and edges with three equivalent ZnP4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–52°. There are three shorter (2.37 Å) and one longer (2.53 Å) Cu–P bond lengths. Zn2+ is bonded to four P3- atoms to form ZnP4 tetrahedra that share corners with six equivalent YbP6 octahedra, corners with six equivalent ZnP4 tetrahedra, edges with three equivalent YbP6 octahedra, and edges with three equivalent CuP4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–52°. There are three shorter (2.40 Å) and one longer (2.43 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to three equivalent Yb3+, one Cu1+, and three equivalent Zn2+ atoms. In the second P3- site, P3- is bonded to three equivalent Yb3+, three equivalent Cu1+, and one Zn2+ atom to form distorted edge-sharing PYb3ZnCu3 pentagonal bipyramids.
DOI: 10.17188/1717571
title: Materials Data on Sr2CoWO6 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: 10.17188/1717572
title: Materials Data on NaCd2Pd by Materials Project

description: NaPdCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to six equivalent Pd and eight equivalent Cd atoms. All Na–Pd bond lengths are 3.41 Å. All Na–Cd bond lengths are 2.96 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Na and eight equivalent Cd atoms. All Pd–Cd bond lengths are 2.96 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Pd atoms.
DOI: 10.17188/1717573
title: Materials Data on Mn2Al2Cu by Materials Project

description: Mn2CuAl2 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two Mn2CuAl2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Mn–Mn bond lengths are 2.32 Å. All Mn–Al bond lengths are 2.53 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Cu atoms. All Mn–Cu bond lengths are 2.61 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Cu–Al bond lengths are 2.57 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Cu atoms to form a mixture of distorted edge and corner-sharing AlCu4 cuboctahedra. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Mn atoms.
DOI: 10.17188/1717574
title: Materials Data on CrN2 by Materials Project

description: CrN2 is Low Tridymite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.74 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.74 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the fifth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.
DOI: 10.17188/1717575
title: Materials Data on Rb2NbAgF6 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: 10.17188/1717577
title: Materials Data on La3Sm by Materials Project

description: SmLa3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve La atoms to form SmLa12 cuboctahedra that share corners with four equivalent SmLa12 cuboctahedra, corners with eight equivalent LaLa8Sm4 cuboctahedra, edges with eight equivalent SmLa12 cuboctahedra, edges with sixteen equivalent LaLa8Sm4 cuboctahedra, faces with four equivalent SmLa12 cuboctahedra, and faces with fourteen LaLa8Sm4 cuboctahedra. There are four shorter (3.71 Å) and eight longer (3.73 Å) Sm–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Sm and eight La atoms to form LaLa8Sm4 cuboctahedra that share corners with twelve equivalent LaLa8Sm4 cuboctahedra, edges with eight equivalent SmLa12 cuboctahedra, edges with sixteen LaLa8Sm4 cuboctahedra, faces with four equivalent SmLa12 cuboctahedra, and faces with fourteen LaLa8Sm4 cuboctahedra. There are four shorter (3.71 Å) and four longer (3.73 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Sm and eight equivalent La atoms to form LaLa8Sm4 cuboctahedra that share corners with four equivalent LaLa8Sm4 cuboctahedra, corners with eight equivalent SmLa12 cuboctahedra, edges with twenty-four LaLa8Sm4 cuboctahedra, faces with six equivalent SmLa12 cuboctahedra, and faces with twelve LaLa8Sm4 cuboctahedra.
DOI: 10.17188/1717578
title: Materials Data on NaNbO3 by Materials Project

description: NaNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.98 Å. Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–22°. All Nb–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1717579
title: Materials Data on GdMn2 by Materials Project

description: GdMn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Gd and twelve equivalent Mn atoms. All Gd–Gd bond lengths are 3.15 Å. All Gd–Mn bond lengths are 3.02 Å. Mn is bonded to six equivalent Gd and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnGd6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.57 Å.
DOI: 10.17188/1717580
title: Materials Data on KPtNCl3 by Materials Project

description: KPtNCl3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two KPtNCl3 sheets oriented in the (0, 1, 0) direction. K1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.23 Å) and four longer (3.36 Å) K–Cl bond lengths. Pt5+ is bonded in a square co-planar geometry to one N3- and three Cl1- atoms. The Pt–N bond length is 1.75 Å. There are two shorter (2.32 Å) and one longer (2.48 Å) Pt–Cl bond lengths. N3- is bonded in a single-bond geometry to one Pt5+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one Pt5+ atom to form a mixture of edge and corner-sharing ClK4Pt square pyramids. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Pt5+ atom.
DOI: 10.17188/1717582
title: Materials Data on TiCrO4 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: 10.17188/1717583
title: Materials Data on Sb2H3NF11 by Materials Project

description: NH3Sb2F11 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules and two Sb2F11 clusters. In each Sb2F11 cluster, there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Sb–F bond distances ranging from 1.88–2.05 Å. In the second Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Sb–F bond distances ranging from 1.88–2.08 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Sb5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.