cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1729504
title: Materials Data on Si6H31C10N by Materials Project

description: (Si(CH3)2)4Si2C2NH7 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen dimethylsilane molecules and four iminobis(methylsilane) molecules.
DOI: 10.17188/1729505
title: Materials Data on Ba2Sr2Mn3O10 by Materials Project

description: Ba2Sr2Mn3O10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.10 Å. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.97 Å. There are two inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form face-sharing MnO6 octahedra. There is four shorter (1.92 Å) and two longer (1.95 Å) Mn–O bond length. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Mn–O bond distances ranging from 1.86–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Sr2+, and one Mn4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent Sr2+, and two equivalent Mn4+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to one Ba2+, three equivalent Sr2+, and two Mn4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, two equivalent Sr2+, and two Mn4+ atoms.
DOI: 10.17188/1729506
title: Materials Data on Mn3AuN by Materials Project

description: Mn3AuN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Au and two equivalent N atoms. All Mn–Au bond lengths are 2.70 Å. Both Mn–N bond lengths are 1.91 Å. Au is bonded to twelve equivalent Mn atoms to form AuMn12 cuboctahedra that share corners with twelve equivalent AuMn12 cuboctahedra, faces with six equivalent AuMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent AuMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.6073/pasta/74f92689dcf5e52630bc97533ae179ce
title: Jornada Basin LTER: Wireless substation at NPP M-NORT site: 30-minute soil volumetric water content data: 2013 - ongoing

description: 30-minute Soil Moisture data is measured at 10cm, 20 cm, and 30 cm soil depths at the NPP M-NORT substation located in center of 70m x 70m Jornada LTER NPP M-NORT site. Collection of soil volumetric water content data at Jornada LTER NPP sites, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are measured every 30 minutes. This is an ONGOING dataset.
DOI: 10.17188/1729507
title: Materials Data on Li3V(FeO2)4 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: 10.17188/1729508
title: Materials Data on KYbBr3 by Materials Project

description: KYbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.30–3.87 Å. Yb2+ is bonded to six Br1- atoms to form corner-sharing YbBr6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There are two shorter (2.89 Å) and four longer (2.90 Å) Yb–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent K1+ and two equivalent Yb2+ atoms to form distorted corner-sharing BrK2Yb2 tetrahedra.
DOI: 10.17188/1729509
title: Materials Data on MgGa by Materials Project

description: MgGa is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Ga atoms. All Mg–Ga bond lengths are 2.97 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1729511
title: Materials Data on FeOF 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: 10.17188/1729512
title: Materials Data on Li7Mn5O12 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: 10.17188/1729513
title: Materials Data on TlB2O5 by Materials Project

description: (Tl(BO2)2)2O2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Tl(BO2)2 framework. In the Tl(BO2)2 framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Tl–O bond distances ranging from 2.07–2.78 Å. In the second Tl site, Tl is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Tl–O bond distances ranging from 2.58–2.74 Å. There are four inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.51 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.37 Å) and one longer (1.40 Å) B–O bond length. In the fourth B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a 2-coordinate geometry to two Tl and two B atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Tl and two B atoms. In the fifth O site, O is bonded in a 2-coordinate geometry to two Tl and one B atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Tl and one B atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to two Tl and two B atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to two B atoms.
DOI: 10.17188/1729514
title: Materials Data on Li4Fe7O12 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: 10.17188/1729516
title: Materials Data on ZnCr2O5 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: 10.17188/1729518
title: Materials Data on Ti4Mn2O by Materials Project

description: Ti4Mn2O crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a bent 150 degrees geometry to two equivalent Ti, four Mn, and two equivalent O atoms. Both Ti–Ti bond lengths are 3.14 Å. There are two shorter (2.72 Å) and two longer (3.13 Å) Ti–Mn bond lengths. Both Ti–O bond lengths are 2.20 Å. In the second Ti site, Ti is bonded in a bent 150 degrees geometry to two equivalent Ti, four Mn, and two equivalent O atoms. Both Ti–Ti bond lengths are 2.76 Å. All Ti–Mn bond lengths are 3.13 Å. Both Ti–O bond lengths are 2.20 Å. In the third Ti site, Ti is bonded in a 12-coordinate geometry to nine Ti and three equivalent Mn atoms. All Ti–Ti bond lengths are 2.90 Å. All Ti–Mn bond lengths are 2.59 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to nine Ti and three equivalent Mn atoms to form distorted MnTi9Mn3 cuboctahedra that share corners with three equivalent MnTi6Mn6 cuboctahedra, edges with six equivalent OTi6 octahedra, and faces with ten MnTi9Mn3 cuboctahedra. All Mn–Mn bond lengths are 2.62 Å. In the second Mn site, Mn is bonded to six Ti and six Mn atoms to form distorted MnTi6Mn6 cuboctahedra that share corners with six MnTi9Mn3 cuboctahedra, corners with three equivalent OTi6 octahedra, faces with seven MnTi9Mn3 cuboctahedra, and faces with three equivalent OTi6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Mn–Mn bond lengths are 2.99 Å. O is bonded to six Ti atoms to form OTi6 octahedra that share corners with three equivalent MnTi6Mn6 cuboctahedra, corners with six equivalent OTi6 octahedra, edges with six equivalent MnTi9Mn3 cuboctahedra, and faces with three equivalent MnTi6Mn6 cuboctahedra. The corner-sharing octahedra tilt angles range from 34–35°.
DOI: 10.17188/1729519
title: Materials Data on Yb(BRu)2 by Materials Project

description: Yb(RuB)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Yb2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. There are two shorter (2.67 Å) and two longer (2.68 Å) Yb–B bond lengths. Ru2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B3- atoms. There are two shorter (2.03 Å) and two longer (2.28 Å) Ru–B bond lengths. B3- is bonded to two equivalent Yb2+, four equivalent Ru2+, and one B3- atom to form a mixture of distorted edge, corner, and face-sharing BYb2BRu4 hexagonal pyramids. The B–B bond length is 1.77 Å.
DOI: 10.17188/1729520
title: Materials Data on LiVP2HO8 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: 10.17188/1729521
title: Materials Data on Lu5(Ge5Rh2)2 by Materials Project

description: Lu5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Lu–Rh bond lengths are 3.23 Å. There are eight shorter (2.92 Å) and four longer (3.35 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded to four equivalent Rh and eight Ge atoms to form face-sharing LuGe8Rh4 cuboctahedra. All Lu–Rh bond lengths are 3.08 Å. There are a spread of Lu–Ge bond distances ranging from 2.91–3.11 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Rh and ten Ge atoms. All Lu–Rh bond lengths are 3.29 Å. There are a spread of Lu–Ge bond distances ranging from 3.21–3.41 Å. Rh is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.43–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Lu, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Lu, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.86 Å.
DOI: 10.17188/1729522
title: Materials Data on LiFeO2 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: 10.17188/1729523
title: Materials Data on SrLaCoO4 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: 10.17188/1729524
title: Materials Data on DyMg2 by Materials Project

description: Mg2Dy crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to five Mg and six equivalent Dy atoms. There are a spread of Mg–Mg bond distances ranging from 3.00–3.31 Å. There are a spread of Mg–Dy bond distances ranging from 3.43–3.46 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to five Mg and six equivalent Dy atoms. The Mg–Mg bond length is 3.00 Å. There are a spread of Mg–Dy bond distances ranging from 3.43–3.45 Å. Dy is bonded in a 12-coordinate geometry to twelve Mg and two equivalent Dy atoms. Both Dy–Dy bond lengths are 3.31 Å.
DOI: 10.17188/1729525
title: Materials Data on TiS2 by Materials Project

description: TiS2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ti–S bond distances ranging from 2.50–2.98 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to five equivalent Ti4+ atoms. In the second S2- site, S2- is bonded to four equivalent Ti4+ atoms to form a mixture of corner and edge-sharing STi4 tetrahedra.
DOI: 10.17188/1729526
title: Materials Data on Li3Rh(N3O8)2 by Materials Project

description: RhLi3(N3O8)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two rhodium molecules and two Li3(N3O8)2 clusters. In each Li3(N3O8)2 cluster, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.03 Å. In the second Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. All Li–O bond lengths are 2.05 Å. There are three inequivalent N+4.33+ sites. In the first N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.27 Å) N–O bond length. In the second N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. In the third N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.25 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+4.33+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+4.33+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one N+4.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one N+4.33+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Li1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+4.33+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+4.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Li1+ atom.
DOI: 10.17188/1729527
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to four Mg and nine Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.91–3.38 Å. There are a spread of Mg–Si bond distances ranging from 2.73–3.25 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two Mg and nine Si atoms. The Mg–Mg bond length is 3.05 Å. There are a spread of Mg–Si bond distances ranging from 2.72–3.15 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to one Mg and nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.10 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to three Mg and ten Si atoms. There are a spread of Mg–Si bond distances ranging from 2.72–3.24 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.46–2.69 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.49–2.81 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.55–2.76 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.47–2.57 Å. In the fifth Si site, Si is bonded in a 1-coordinate geometry to three Mg and six Si atoms. There are one shorter (2.45 Å) and one longer (2.73 Å) Si–Si bond lengths. In the sixth Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms. The Si–Si bond length is 2.56 Å. In the seventh Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. The Si–Si bond length is 2.50 Å. In the eighth Si site, Si is bonded in a 9-coordinate geometry to three Mg and six Si atoms.
DOI: 10.17188/1729528
title: Materials Data on Ca8Mn6Al2O21 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: 10.17188/1729529
title: Materials Data on PrCrTeO6 by Materials Project

description: PrCrTeO6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent CrO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. All Pr–O bond lengths are 2.44 Å. Cr5+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent PrO6 octahedra and edges with three equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Cr–O bond lengths are 2.02 Å. Te4+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent PrO6 octahedra and edges with three equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Te–O bond lengths are 1.95 Å. O2- is bonded in a distorted trigonal planar geometry to one Pr3+, one Cr5+, and one Te4+ atom.
DOI: 10.17188/1729530
title: Materials Data on Mg3B2H9SO13F by Materials Project

description: Mg3B2H9SO13F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- and one F1- atom to form distorted MgO4F trigonal bipyramids that share a cornercorner with one SO4 tetrahedra and edges with two equivalent MgO4F trigonal bipyramids. There are a spread of Mg–O bond distances ranging from 1.97–2.09 Å. The Mg–F bond length is 2.00 Å. In the second Mg2+ site, Mg2+ is bonded to four O2- and one F1- atom to form a mixture of edge and corner-sharing MgO4F trigonal bipyramids. There are a spread of Mg–O bond distances ranging from 1.99–2.15 Å. The Mg–F bond length is 1.99 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.59 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. In the fifth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.58 Å) H–O bond length. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one MgO4F trigonal bipyramid. There is three shorter (1.49 Å) and one longer (1.51 Å) S–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+, one B3+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Mg2+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+, one B3+, and one H1+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two H1+ atoms. F1- is bonded in a distorted trigonal non-coplanar geometry to three Mg2+ atoms.
DOI: 10.17188/1729531
title: Materials Data on Ba2CdHg by Materials Project

description: Ba2HgCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2HgCd ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to one Hg and one Cd atom. The Ba–Hg bond length is 3.67 Å. The Ba–Cd bond length is 3.71 Å. Hg is bonded in a linear geometry to two equivalent Ba atoms. Cd is bonded in a linear geometry to two equivalent Ba atoms.