cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1694759
title: Materials Data on Na3VS3O 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: 10.17188/1694760
title: Materials Data on Tb3BWO9 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: 10.17188/1694761
title: Materials Data on Hg6S4IBr3 by Materials Project

description: Hg6S4IBr3 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to two S2- and four Br1- atoms to form distorted HgS2Br4 octahedra that share corners with eight HgS2Br4 octahedra, corners with two equivalent HgS2IBr2 trigonal bipyramids, edges with four HgS2Br4 octahedra, edges with two equivalent HgS2IBr2 trigonal bipyramids, and faces with two equivalent HgS2Br4 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. There are one shorter (2.37 Å) and one longer (2.48 Å) Hg–S bond lengths. There are a spread of Hg–Br bond distances ranging from 3.30–3.47 Å. In the second Hg2+ site, Hg2+ is bonded to two S2- and four Br1- atoms to form distorted HgS2Br4 octahedra that share corners with eight HgS2Br4 octahedra, corners with two equivalent HgS2IBr2 trigonal bipyramids, edges with four HgS2Br4 octahedra, edges with two equivalent HgS2IBr2 trigonal bipyramids, and faces with two equivalent HgS2Br4 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. There are one shorter (2.37 Å) and one longer (2.48 Å) Hg–S bond lengths. There are a spread of Hg–Br bond distances ranging from 3.34–3.52 Å. In the third Hg2+ site, Hg2+ is bonded to two equivalent S2-, one I1-, and two equivalent Br1- atoms to form distorted HgS2IBr2 trigonal bipyramids that share corners with four HgS2Br4 octahedra, corners with five equivalent HgS2IBr2 trigonal bipyramids, and edges with four HgS2Br4 octahedra. The corner-sharing octahedra tilt angles range from 69–82°. Both Hg–S bond lengths are 2.61 Å. The Hg–I bond length is 2.85 Å. There are one shorter (3.06 Å) and one longer (3.52 Å) Hg–Br bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two Hg2+ atoms. In the second S2- site, S2- is bonded to four Hg2+ atoms to form SHg4 tetrahedra that share corners with two equivalent SHg4 tetrahedra and edges with four equivalent BrHg6 octahedra. I1- is bonded in a linear geometry to two equivalent Hg2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted body-centered cubic geometry to eight Hg2+ atoms. In the second Br1- site, Br1- is bonded to six Hg2+ atoms to form distorted BrHg6 octahedra that share corners with two equivalent BrHg6 octahedra, edges with two equivalent BrHg6 octahedra, and edges with four equivalent SHg4 tetrahedra. The corner-sharing octahedral tilt angles are 27°.
DOI: 10.17188/1694762
title: Materials Data on LiV(PO3)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: 10.17188/1694763
title: Materials Data on Li2CoSiO4 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: 10.17188/1694764
title: Materials Data on Nb4NiS8 by Materials Project

description: Nb4NiS8 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nb+3.50+ sites. In the first Nb+3.50+ site, Nb+3.50+ is bonded to six equivalent S2- atoms to form distorted NbS6 pentagonal pyramids that share edges with six equivalent NbS6 pentagonal pyramids and faces with two equivalent NiS6 octahedra. All Nb–S bond lengths are 2.49 Å. In the second Nb+3.50+ site, Nb+3.50+ is bonded to six S2- atoms to form distorted NbS6 pentagonal pyramids that share corners with four equivalent NiS6 octahedra and edges with six NbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.46 Å) and four longer (2.51 Å) Nb–S bond lengths. Ni2+ is bonded to six equivalent S2- atoms to form NiS6 octahedra that share corners with twelve equivalent NbS6 pentagonal pyramids and faces with two equivalent NbS6 pentagonal pyramids. All Ni–S bond lengths are 2.40 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb+3.50+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Nb+3.50+ and one Ni2+ atom.
DOI: 10.17188/1694766
title: Materials Data on ZrTiMn4 by Materials Project

description: ZrTiMn4 is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Zr is bonded in a 9-coordinate geometry to three equivalent Zr, one Ti, and twelve Mn atoms. All Zr–Zr bond lengths are 3.01 Å. The Zr–Ti bond length is 2.99 Å. There are a spread of Zr–Mn bond distances ranging from 2.85–2.97 Å. Ti is bonded in a 1-coordinate geometry to one Zr, three equivalent Ti, and twelve Mn atoms. All Ti–Ti bond lengths are 2.95 Å. There are a spread of Ti–Mn bond distances ranging from 2.77–2.84 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Zr, three equivalent Ti, and six Mn atoms to form a mixture of corner, edge, and face-sharing MnZr3Ti3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.35–2.53 Å. In the second Mn site, Mn is bonded to six equivalent Zr and six equivalent Mn atoms to form MnZr6Mn6 cuboctahedra that share corners with twelve equivalent MnZr3Ti3Mn6 cuboctahedra, edges with six equivalent MnZr6Mn6 cuboctahedra, and faces with twenty MnTi6Mn6 cuboctahedra. In the third Mn site, Mn is bonded to six equivalent Ti and six equivalent Mn atoms to form MnTi6Mn6 cuboctahedra that share corners with twelve equivalent MnZr3Ti3Mn6 cuboctahedra, edges with six equivalent MnTi6Mn6 cuboctahedra, and faces with twenty MnZr6Mn6 cuboctahedra.
DOI: 10.17188/1694767
title: Materials Data on Tm2Mn2O7 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: 10.17188/1694768
title: Materials Data on La4Rh by Materials Project

description: La4Rh is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight La4Rh clusters. La is bonded in a single-bond geometry to one Rh atom. The La–Rh bond length is 2.68 Å. Rh is bonded in a tetrahedral geometry to four equivalent La atoms.
DOI: 10.17188/1694769
title: Materials Data on K2ScInF6 by Materials Project

description: K2ScInF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent ScF6 octahedra, and faces with four equivalent InF6 octahedra. All K–F bond lengths are 3.28 Å. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.03 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent ScF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.59 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Sc3+, and one In1+ atom.
DOI: 10.17188/1694770
title: Materials Data on LaCI by Materials Project

description: LaCI crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LaCI sheet oriented in the (0, 0, 1) direction. La3+ is bonded in a 8-coordinate geometry to five equivalent C2- and three equivalent I1- atoms. There are a spread of La–C bond distances ranging from 2.53–2.89 Å. There are two shorter (3.28 Å) and one longer (3.38 Å) La–I bond lengths. C2- is bonded in a 6-coordinate geometry to five equivalent La3+ and one C2- atom. The C–C bond length is 1.33 Å. I1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms.
DOI: 10.17188/1694771
title: Materials Data on TaSiNi by Materials Project

description: Ni(Ta)Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta3+ is bonded to five equivalent Si4- atoms to form distorted TaSi5 trigonal bipyramids that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TaSi5 trigonal bipyramids, edges with six equivalent NiSi4 tetrahedra, and edges with six equivalent TaSi5 trigonal bipyramids. There are a spread of Ta–Si bond distances ranging from 2.63–2.66 Å. Ni1+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TaSi5 trigonal bipyramids, edges with two equivalent NiSi4 tetrahedra, and edges with six equivalent TaSi5 trigonal bipyramids. There are a spread of Ni–Si bond distances ranging from 2.30–2.36 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ta3+ and four equivalent Ni1+ atoms.
DOI: 10.17188/1694772
title: Materials Data on RbHo(MoO4)2 by Materials Project

description: RbHo(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.38 Å. Ho3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.29–2.71 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.41 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, two equivalent Ho3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Ho3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Ho3+, and one Mo6+ atom.
DOI: 10.17188/1694774
title: Materials Data on Tb2GaNi2 by Materials Project

description: Tb2Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Ga atoms. There are two shorter (2.85 Å) and four longer (2.95 Å) Tb–Ni bond lengths. There are two shorter (3.14 Å) and two longer (3.24 Å) Tb–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, one Ni, and two equivalent Ga atoms. The Ni–Ni bond length is 2.48 Å. Both Ni–Ga bond lengths are 2.54 Å. Ga is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of edge and face-sharing GaTb8Ni4 cuboctahedra.
DOI: 10.17188/1694776
title: Materials Data on LaEuPd6 by Materials Project

description: EuLaPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Eu is bonded to twelve Pd atoms to form EuPd12 cuboctahedra that share corners with four equivalent EuPd12 cuboctahedra, corners with eight equivalent LaPd12 cuboctahedra, faces with two equivalent LaPd12 cuboctahedra, and faces with four equivalent EuPd12 cuboctahedra. There are eight shorter (3.03 Å) and four longer (3.05 Å) Eu–Pd bond lengths. La is bonded to twelve Pd atoms to form LaPd12 cuboctahedra that share corners with four equivalent LaPd12 cuboctahedra, corners with eight equivalent EuPd12 cuboctahedra, faces with two equivalent EuPd12 cuboctahedra, and faces with four equivalent LaPd12 cuboctahedra. There are eight shorter (3.03 Å) and four longer (3.05 Å) La–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Eu atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent La atoms. In the third Pd site, Pd is bonded in a distorted square co-planar geometry to two equivalent Eu and two equivalent La atoms.
DOI: 10.17188/1694777
title: Materials Data on Li4Mn2Fe(BO3)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: 10.17188/1694779
title: Materials Data on Li2MnFe3O8 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: 10.17188/1694780
title: Materials Data on KZn2P2HO8 by Materials Project

description: KZn2H(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.09 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one ZnO4 tetrahedra and corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–1.98 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one ZnO4 tetrahedra and corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.04 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 five ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.54–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.70 Å) H–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Zn2+, and one P5+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Zn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Zn2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Zn2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+, one P5+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Zn2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one P5+, and one H1+ atom.
DOI: 10.17188/1694781
title: Materials Data on Y2Co3Si by Materials Project

description: Y2Co3Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.93 Å) and three longer (3.17 Å) Y–Y bond lengths. There are three shorter (2.83 Å) and six longer (3.01 Å) Y–Co bond lengths. All Y–Si bond lengths are 3.07 Å. Co is bonded to six equivalent Y, four equivalent Co, and two equivalent Si atoms to form CoY6Co4Si2 cuboctahedra that share corners with four equivalent SiY6Co6 cuboctahedra, corners with fourteen equivalent CoY6Co4Si2 cuboctahedra, edges with six equivalent CoY6Co4Si2 cuboctahedra, faces with six equivalent SiY6Co6 cuboctahedra, and faces with twelve equivalent CoY6Co4Si2 cuboctahedra. All Co–Co bond lengths are 2.63 Å. Both Co–Si bond lengths are 2.45 Å. Si is bonded to six equivalent Y and six equivalent Co atoms to form SiY6Co6 cuboctahedra that share corners with six equivalent SiY6Co6 cuboctahedra, corners with twelve equivalent CoY6Co4Si2 cuboctahedra, edges with six equivalent SiY6Co6 cuboctahedra, and faces with eighteen equivalent CoY6Co4Si2 cuboctahedra.
DOI: 10.17188/1694782
title: Materials Data on Li3NiN2 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: 10.17188/1694784
title: Materials Data on DyGa2Ni by Materials Project

description: DyNiGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to three equivalent Ni and ten equivalent Ga atoms. There are one shorter (2.82 Å) and two longer (3.01 Å) Dy–Ni bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.94–3.26 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Ga atoms. There are two shorter (2.51 Å) and four longer (2.52 Å) Ni–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to five equivalent Dy, three equivalent Ni, and two equivalent Ga atoms. There are one shorter (2.58 Å) and one longer (2.90 Å) Ga–Ga bond lengths.
DOI: 10.17188/1694785
title: Materials Data on LaRh3C by Materials Project

description: LaRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Rh atoms to form LaRh12 cuboctahedra that share corners with twelve equivalent LaRh12 cuboctahedra, faces with six equivalent LaRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All La–Rh bond lengths are 3.02 Å. Rh is bonded to four equivalent La and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing RhLa4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.13 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent LaRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1694786
title: Materials Data on Mg(BH4)2 by Materials Project

description: Mg(BH4)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional and consists of two Mg(BH4)2 frameworks. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to eight H+0.50+ atoms to form MgH8 hexagonal bipyramids that share edges with four equivalent BH4 tetrahedra. There are four shorter (2.08 Å) and four longer (2.12 Å) Mg–H bond lengths. In the second Mg2+ site, Mg2+ is bonded to eight H+0.50+ atoms to form distorted MgH8 hexagonal bipyramids that share edges with four equivalent BH4 tetrahedra. There are four shorter (2.09 Å) and four longer (2.12 Å) Mg–H bond lengths. B3- is bonded to four H+0.50+ atoms to form BH4 tetrahedra that share edges with two MgH8 hexagonal bipyramids. There is two shorter (1.22 Å) and two longer (1.23 Å) B–H bond length. There are four inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted L-shaped geometry to one Mg2+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a distorted L-shaped geometry to one Mg2+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom.
DOI: 10.17188/1694787
title: Materials Data on Al2Fe3(SiO4)3 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: 10.17188/1694788
title: Materials Data on Ce(FeSb3)4 by Materials Project

description: CeFe4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent Sb+1.25- atoms to form CeSb12 cuboctahedra that share faces with eight equivalent FeSb6 octahedra. All Ce–Sb bond lengths are 3.40 Å. Fe3+ is bonded to six equivalent Sb+1.25- atoms to form FeSb6 octahedra that share corners with six equivalent FeSb6 octahedra and faces with two equivalent CeSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–Sb bond lengths are 2.54 Å. Sb+1.25- is bonded in a 2-coordinate geometry to one Ce3+, two equivalent Fe3+, and two equivalent Sb+1.25- atoms. There are one shorter (2.99 Å) and one longer (3.05 Å) Sb–Sb bond lengths.
DOI: 10.17188/1694789
title: Materials Data on Mg2In3WS8 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: 10.17188/1694791
title: Materials Data on Tb2Ge(BO4)2 by Materials Project

description: Tb2GeB2O8 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.28–2.53 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.52 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.80 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Tb3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one B3+, and one Ge4+ atom.