cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1683026
title: Materials Data on PWO5 by Materials Project

description: PWO5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent W5+ sites. In the first W5+ site, W5+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.91–2.03 Å. In the second W5+ site, W5+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.91–2.03 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four WO6 octahedra. The corner-sharing octahedra tilt angles range from 10–31°. There is two shorter (1.53 Å) and two longer (1.54 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four WO6 octahedra. The corner-sharing octahedra tilt angles range from 11–28°. There is one shorter (1.53 Å) and three longer (1.54 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one W5+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one W5+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W5+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W5+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one W5+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one W5+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent W5+ atoms. In the eighth O2- site, O2- is bonded in a linear geometry to two equivalent W5+ atoms.
DOI: 10.17188/1683027
title: Materials Data on Eu3SbO7 by Materials Project

description: Eu3SbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one EuO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of Eu–O bond distances ranging from 2.27–2.59 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.75 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There are four shorter (2.00 Å) and two longer (2.05 Å) Sb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Sb5+ atom.
DOI: 10.17188/1683028
title: Materials Data on TaCr3(AgS4)2 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: 10.17188/1683030
title: Materials Data on LiMg2 by Materials Project

description: LiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to two equivalent Li and ten equivalent Mg atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with eighteen equivalent MgLi5Mg7 cuboctahedra, edges with eight equivalent MgLi5Mg7 cuboctahedra, edges with ten equivalent LiLi2Mg10 cuboctahedra, faces with six equivalent LiLi2Mg10 cuboctahedra, and faces with fourteen equivalent MgLi5Mg7 cuboctahedra. Both Li–Li bond lengths are 3.14 Å. There are a spread of Li–Mg bond distances ranging from 3.08–3.16 Å. Mg is bonded to five equivalent Li and seven equivalent Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with nine equivalent LiLi2Mg10 cuboctahedra, corners with nine equivalent MgLi5Mg7 cuboctahedra, edges with four equivalent LiLi2Mg10 cuboctahedra, edges with fourteen equivalent MgLi5Mg7 cuboctahedra, faces with seven equivalent LiLi2Mg10 cuboctahedra, and faces with thirteen equivalent MgLi5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.16 Å.
DOI: 10.17188/1683031
title: Materials Data on Ti3Mn2V(PO4)6 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: 10.17188/1683033
title: Materials Data on LiVSe2 by Materials Project

description: LiVSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with twelve equivalent VSe6 octahedra, edges with six equivalent LiSe6 octahedra, and faces with two equivalent VSe6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Li–Se bond lengths are 2.67 Å. V3+ is bonded to six equivalent Se2- atoms to form VSe6 octahedra that share corners with twelve equivalent LiSe6 octahedra, edges with six equivalent VSe6 octahedra, and faces with two equivalent LiSe6 octahedra. The corner-sharing octahedral tilt angles are 46°. All V–Se bond lengths are 2.54 Å. Se2- is bonded to three equivalent Li1+ and three equivalent V3+ atoms to form a mixture of distorted edge and corner-sharing SeLi3V3 pentagonal pyramids.
DOI: 10.17188/1683034
title: Materials Data on YMg5 by Materials Project

description: Mg5Y crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Y atoms. All Mg–Mg bond lengths are 3.18 Å. Both Mg–Y bond lengths are 3.31 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Y atoms to form MgY3Mg9 cuboctahedra that share corners with nine equivalent MgY3Mg9 cuboctahedra, corners with nine equivalent YMg12 cuboctahedra, edges with six equivalent MgY3Mg9 cuboctahedra, faces with three equivalent YMg12 cuboctahedra, and faces with five equivalent MgY3Mg9 cuboctahedra. All Mg–Mg bond lengths are 3.29 Å. All Mg–Y bond lengths are 3.29 Å. Y is bonded to twelve Mg atoms to form YMg12 cuboctahedra that share corners with eighteen equivalent MgY3Mg9 cuboctahedra, edges with six equivalent YMg12 cuboctahedra, faces with two equivalent YMg12 cuboctahedra, and faces with six equivalent MgY3Mg9 cuboctahedra.
DOI: 10.17188/1683035
title: Materials Data on TmCrO4 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: 10.17188/1683036
title: Materials Data on HfTiO4 by Materials Project

description: HfTiO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with four equivalent HfO6 octahedra, corners with four equivalent TiO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Hf–O bond distances ranging from 2.02–2.20 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent HfO6 octahedra, corners with four equivalent TiO6 octahedra, and edges with two equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of Ti–O bond distances ranging from 1.90–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hf4+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hf4+ and one Ti4+ atom.
DOI: 10.6084/m9.figshare.7935980.v2
title: Insights into the mechanism of cholesterol-mediated effects on TRKB-dependent plasticity.

description: Data describing the incidence of cholesterol-interacting motifs in tyrosine kinase receptor family; used in the analysis of putative effects of point mutations in the cholesterol-interacting domain of TRKB (or equivalents) in human, mouse and zebrafish. Jalview files of the sequences used in the generation of trees for full length and TMR TRKB from human, chimpanzee, dog, mouse, rat, chicked and zebrafish<br>
DOI: 10.17188/1683037
title: Materials Data on PmNd3 by Materials Project

description: PmNd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pm is bonded to twelve equivalent Nd atoms to form PmNd12 cuboctahedra that share corners with twelve equivalent PmNd12 cuboctahedra, edges with twenty-four equivalent NdPm4Nd8 cuboctahedra, faces with six equivalent PmNd12 cuboctahedra, and faces with twelve equivalent NdPm4Nd8 cuboctahedra. All Pm–Nd bond lengths are 3.68 Å. Nd is bonded to four equivalent Pm and eight equivalent Nd atoms to form NdPm4Nd8 cuboctahedra that share corners with twelve equivalent NdPm4Nd8 cuboctahedra, edges with eight equivalent PmNd12 cuboctahedra, edges with sixteen equivalent NdPm4Nd8 cuboctahedra, faces with four equivalent PmNd12 cuboctahedra, and faces with fourteen equivalent NdPm4Nd8 cuboctahedra. All Nd–Nd bond lengths are 3.68 Å.
DOI: 10.17188/1683038
title: Materials Data on MnF3 by Materials Project

description: MnF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Mn–F bond distances ranging from 1.87–2.17 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent Mn3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Mn3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms.
DOI: 10.17188/1683039
title: Materials Data on Th3W by Materials Project

description: Th3W is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to eight Th and four equivalent W atoms to form distorted ThTh8W4 cuboctahedra that share corners with twelve equivalent ThTh8W4 cuboctahedra, edges with eight equivalent ThTh8W4 cuboctahedra, edges with eight equivalent WTh12 cuboctahedra, faces with four equivalent WTh12 cuboctahedra, and faces with ten equivalent ThTh8W4 cuboctahedra. There are four shorter (3.27 Å) and four longer (3.43 Å) Th–Th bond lengths. All Th–W bond lengths are 3.43 Å. In the second Th site, Th is bonded in a square co-planar geometry to eight equivalent Th and four equivalent W atoms. All Th–W bond lengths are 3.27 Å. W is bonded to twelve Th atoms to form WTh12 cuboctahedra that share corners with four equivalent WTh12 cuboctahedra, edges with eight equivalent WTh12 cuboctahedra, edges with sixteen equivalent ThTh8W4 cuboctahedra, faces with four equivalent WTh12 cuboctahedra, and faces with eight equivalent ThTh8W4 cuboctahedra.
DOI: 10.17188/1683040
title: Materials Data on CsMg6SiO8 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: 10.17188/1683041
title: Materials Data on Tb3Co11B4 by Materials Project

description: Tb3Co11B4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Tb–Co bond lengths are 2.91 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.87 Å) and six longer (2.96 Å) Tb–Co bond lengths. All Tb–B bond lengths are 2.91 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Tb and four equivalent B atoms. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Tb, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. B is bonded in a 6-coordinate geometry to three equivalent Tb and six Co atoms.
DOI: 10.17188/1683042
title: Materials Data on Cr2SbTe 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: 10.17188/1683043
title: Materials Data on CsVOF4 by Materials Project

description: CsVOF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to three equivalent O2- and nine F1- atoms. There are one shorter (3.45 Å) and two longer (3.73 Å) Cs–O bond lengths. There are a spread of Cs–F bond distances ranging from 3.11–3.61 Å. V5+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The V–O bond length is 1.61 Å. There is one shorter (1.83 Å) and three longer (1.85 Å) V–F bond length. O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one V5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one V5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one V5+ atom.
DOI: 10.17188/1683045
title: Materials Data on PdF3 by Materials Project

description: PdFF2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four fluorine-19 molecules and two PdF ribbons oriented in the (0, 0, 1) direction. In each PdF ribbon, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.03 Å. F is bonded in an L-shaped geometry to two equivalent Pd atoms.
DOI: 10.17188/1683046
title: Materials Data on CaN by Materials Project

description: CaN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent N2- atoms to form a mixture of edge and corner-sharing CaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–N bond lengths are 2.51 Å. N2- is bonded to six equivalent Ca2+ atoms to form a mixture of edge and corner-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1683047
title: Materials Data on LiAlZn2 by Materials Project

description: LiZn2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Zn and six equivalent Al atoms. All Li–Zn bond lengths are 2.69 Å. All Li–Al bond lengths are 3.11 Å. Zn is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Zn–Al bond lengths are 2.69 Å. Al is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Zn atoms.
DOI: 10.17188/1683048
title: Materials Data on Po(RhO3)2 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: 10.17188/1683049
title: Materials Data on NiGeRh2 by Materials Project

description: Rh2NiGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Rh2NiGe ribbons oriented in the (1, 0, 0) direction. Rh is bonded in a linear geometry to one Ni and one Ge atom. The Rh–Ni bond length is 2.29 Å. The Rh–Ge bond length is 2.27 Å. Ni is bonded in a linear geometry to two equivalent Rh atoms. Ge is bonded in a linear geometry to two equivalent Rh atoms.
DOI: 10.17188/1683050
title: Materials Data on CoNi2Sn by Materials Project

description: CoNi2Sn crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a 1-coordinate geometry to one Co, ten Ni, and three equivalent Sn atoms. The Co–Co bond length is 2.63 Å. There are a spread of Co–Ni bond distances ranging from 2.37–2.75 Å. All Co–Sn bond lengths are 2.79 Å. In the second Co site, Co is bonded in a 7-coordinate geometry to one Co, seven Ni, and six Sn atoms. The Co–Co bond length is 2.66 Å. There are a spread of Co–Ni bond distances ranging from 2.66–2.81 Å. There are three shorter (2.75 Å) and three longer (2.76 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 6-coordinate geometry to two Co, six Ni, and six Sn atoms. There are three shorter (2.77 Å) and three longer (2.78 Å) Co–Ni bond lengths. There are three shorter (2.73 Å) and three longer (2.78 Å) Co–Sn bond lengths. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to six Co, one Ni, and four Sn atoms. The Ni–Ni bond length is 2.43 Å. There are three shorter (2.43 Å) and one longer (2.71 Å) Ni–Sn bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to three equivalent Co, four Ni, and four Sn atoms. There are one shorter (2.46 Å) and three longer (2.72 Å) Ni–Ni bond lengths. There are three shorter (2.43 Å) and one longer (2.73 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a 11-coordinate geometry to three equivalent Co, six Ni, and two Sn atoms. There are three shorter (2.42 Å) and three longer (2.71 Å) Ni–Ni bond lengths. There are one shorter (2.54 Å) and one longer (2.55 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded in a 5-coordinate geometry to six Co and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.42–2.62 Å. In the fifth Ni site, Ni is bonded in a 1-coordinate geometry to two Co, nine Ni, and three equivalent Sn atoms. All Ni–Ni bond lengths are 2.72 Å. All Ni–Sn bond lengths are 2.77 Å. In the sixth Ni site, Ni is bonded in a 11-coordinate geometry to three equivalent Co and eight Ni atoms. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to six Co and five Ni atoms. In the second Sn site, Sn is bonded in a 11-coordinate geometry to six Co and five Ni atoms. In the third Sn site, Sn is bonded in a 11-coordinate geometry to three equivalent Co and eight Ni atoms.
DOI: 10.17188/1683051
title: Materials Data on KMo2Cl7O2 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: 10.17188/1683052
title: Materials Data on Li2AgSn2 by Materials Project

description: Li2AgSn2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to two equivalent Li, two equivalent Ag, and seven Sn atoms. Both Li–Li bond lengths are 3.06 Å. Both Li–Ag bond lengths are 2.78 Å. There are a spread of Li–Sn bond distances ranging from 3.02–3.26 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to two equivalent Li, two equivalent Ag, and seven equivalent Sn atoms. Both Li–Ag bond lengths are 2.78 Å. There are a spread of Li–Sn bond distances ranging from 3.02–3.26 Å. In the third Li site, Li is bonded in a 4-coordinate geometry to two equivalent Li, two equivalent Ag, and seven Sn atoms. Both Li–Li bond lengths are 3.06 Å. Both Li–Ag bond lengths are 2.78 Å. There are a spread of Li–Sn bond distances ranging from 3.02–3.26 Å. Ag is bonded in a distorted body-centered cubic geometry to four Li and four Sn atoms. All Ag–Sn bond lengths are 2.80 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Ag, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the second Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Ag, and two equivalent Sn atoms. All Sn–Li bond lengths are 3.26 Å. Both Sn–Sn bond lengths are 2.99 Å. In the third Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Ag, and two equivalent Sn atoms. There are two shorter (3.02 Å) and one longer (3.14 Å) Sn–Li bond lengths. Both Sn–Ag bond lengths are 2.80 Å. In the fourth Sn site, Sn is bonded in a 11-coordinate geometry to seven Li, two equivalent Ag, and two equivalent Sn atoms. There are two shorter (3.02 Å) and four longer (3.26 Å) Sn–Li bond lengths. Both Sn–Ag bond lengths are 2.80 Å. Both Sn–Sn bond lengths are 2.99 Å.
DOI: 10.17188/1683053
title: Materials Data on KTlHg2 by Materials Project

description: KHg2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two KHg2Tl ribbons oriented in the (0, 1, 0) direction. K is bonded in a linear geometry to two equivalent Hg atoms. Both K–Hg bond lengths are 3.34 Å. Hg is bonded in a linear geometry to one K and one Tl atom. The Hg–Tl bond length is 3.09 Å. Tl is bonded in a linear geometry to two equivalent Hg atoms.