cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1740876
title: Materials Data on Al2Te3 by Materials Project

description: Al2Te3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Te2- atoms to form corner-sharing AlTe4 tetrahedra. There are a spread of Al–Te bond distances ranging from 2.57–2.71 Å. In the second Al3+ site, Al3+ is bonded to four Te2- atoms to form corner-sharing AlTe4 tetrahedra. There are a spread of Al–Te bond distances ranging from 2.59–2.71 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the second Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the third Te2- site, Te2- is bonded in a water-like geometry to two Al3+ atoms.
DOI: 10.17188/1740877
title: Materials Data on Cs2LiNdBr6 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: 10.17188/1740879
title: Materials Data on KCrO3F by Materials Project

description: KCrO3F crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to six O2- and two F1- atoms. There are a spread of K–O bond distances ranging from 2.87–3.02 Å. There are one shorter (2.84 Å) and one longer (2.90 Å) K–F bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to six O2- and two F1- atoms. There are a spread of K–O bond distances ranging from 2.88–3.00 Å. There are one shorter (2.87 Å) and one longer (2.89 Å) K–F bond lengths. There are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. All Cr–O bond lengths are 1.63 Å. The Cr–F bond length is 1.80 Å. In the second Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.62 Å) and two longer (1.63 Å) Cr–O bond length. The Cr–F bond length is 1.80 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Cr6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Cr6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Cr6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Cr6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Cr6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Cr6+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Cr6+ atom.
DOI: 10.17188/1740882
title: Materials Data on Li2FeNi(PO4)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: 10.17188/1740883
title: Materials Data on SnP2(NO3)2 by Materials Project

description: SnP2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sn4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.19–2.40 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 3.11–3.16 Å. In the second N1- site, N1- is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of N–O bond distances ranging from 2.92–3.28 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+, one P5+, and one N1- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ and two N1- atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+, one P5+, and one N1- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ and three N1- atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+, one P5+, and one N1- atom.
DOI: 10.17188/1740884
title: Materials Data on Ta4MoS10 by Materials Project

description: Ta4MoS10 is Molybdenite-derived structured and crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Ta4MoS10 sheet oriented in the (2, 0, -1) direction. there are four inequivalent Ta+4.50+ sites. In the first Ta+4.50+ site, Ta+4.50+ is bonded to six S2- atoms to form distorted TaS6 pentagonal pyramids that share edges with two equivalent MoS6 pentagonal pyramids and edges with four TaS6 pentagonal pyramids. There are four shorter (2.47 Å) and two longer (2.50 Å) Ta–S bond lengths. In the second Ta+4.50+ site, Ta+4.50+ is bonded to six S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. There are two shorter (2.48 Å) and four longer (2.49 Å) Ta–S bond lengths. In the third Ta+4.50+ site, Ta+4.50+ is bonded to six S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. There are four shorter (2.48 Å) and two longer (2.49 Å) Ta–S bond lengths. In the fourth Ta+4.50+ site, Ta+4.50+ is bonded to six S2- atoms to form distorted TaS6 pentagonal pyramids that share edges with two equivalent MoS6 pentagonal pyramids and edges with four TaS6 pentagonal pyramids. There are two shorter (2.43 Å) and four longer (2.50 Å) Ta–S bond lengths. Mo2+ is bonded to six S2- atoms to form distorted MoS6 pentagonal pyramids that share edges with two equivalent MoS6 pentagonal pyramids and edges with four TaS6 pentagonal pyramids. There are two shorter (2.45 Å) and four longer (2.46 Å) Mo–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one Ta+4.50+ and two equivalent Mo2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Ta+4.50+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three Ta+4.50+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ta+4.50+ and one Mo2+ atom. In the fifth S2- site, S2- is bonded in a distorted T-shaped geometry to three Ta+4.50+ atoms. In the sixth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ta+4.50+ and one Mo2+ atom. In the seventh S2- site, S2- is bonded in a distorted T-shaped geometry to three Ta+4.50+ atoms.
DOI: 10.17188/1740885
title: Materials Data on Fe5(BO3)6 by Materials Project

description: Fe5(BO3)6 crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one Fe5(BO3)6 sheet oriented in the (0, 1, 0) direction. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 32–58°. There are a spread of Fe–O bond distances ranging from 1.90–2.15 Å. In the second Fe site, Fe is bonded to six O atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Fe–O bond distances ranging from 1.98–2.09 Å. In the third Fe site, Fe is bonded to six O atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are four shorter (2.05 Å) and two longer (2.08 Å) Fe–O bond lengths. There are three inequivalent B sites. In the first 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 1.36–1.39 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two Fe and one B atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two Fe and one B atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Fe and one B atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent B atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the seventh O site, O is bonded in a distorted see-saw-like geometry to four Fe atoms. In the eighth O site, O is bonded in a single-bond geometry to one B atom. In the ninth O site, O is bonded to four Fe atoms to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the tenth O site, O is bonded to four Fe atoms to form a mixture of edge and corner-sharing OFe4 trigonal pyramids.
DOI: 10.17188/1740886
title: Materials Data on Li2MnP2O7 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: 10.17188/1740887
title: Materials Data on InHg3 by Materials Project

description: Hg3In crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 8-coordinate geometry to eight Hg atoms. There are four shorter (3.27 Å) and four longer (3.29 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a 8-coordinate geometry to six Hg and two equivalent In atoms. All Hg–Hg bond lengths are 3.27 Å. Both Hg–In bond lengths are 3.27 Å. In is bonded in a 8-coordinate geometry to four equivalent Hg and four equivalent In atoms. All In–In bond lengths are 3.27 Å.
DOI: 10.17188/1740888
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is high (beta) Cristobalite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce4+ is bonded to four equivalent Se2- atoms to form corner-sharing CeSe4 tetrahedra. All Ce–Se bond lengths are 2.71 Å. Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms.
DOI: 10.17188/1740889
title: Materials Data on LaCeCo10 by Materials Project

description: CeLaCo10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.74–3.17 Å. La is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of La–Co bond distances ranging from 2.90–3.19 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Ce, two equivalent La, and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.43–2.83 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, one La, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.41–2.67 Å. In the third Co site, Co is bonded to four equivalent Ce and eight Co atoms to form CoCe4Co8 cuboctahedra that share corners with sixteen CoLa2Ce2Co8 cuboctahedra, edges with ten CoLa2Ce2Co8 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. All Co–Co bond lengths are 2.45 Å. In the fourth Co site, Co is bonded to four equivalent La and eight Co atoms to form CoLa4Co8 cuboctahedra that share corners with sixteen CoLa2Ce2Co8 cuboctahedra, edges with ten CoLa2Ce2Co8 cuboctahedra, and faces with ten CoLa4Co8 cuboctahedra. All Co–Co bond lengths are 2.49 Å. In the fifth Co site, Co is bonded to two equivalent Ce, two equivalent La, and eight Co atoms to form CoLa2Ce2Co8 cuboctahedra that share corners with sixteen CoCe4Co8 cuboctahedra, edges with ten CoLa2Ce2Co8 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. There are one shorter (2.46 Å) and one longer (2.47 Å) Co–Co bond lengths.
DOI: 10.17188/1740890
title: Materials Data on Hf2ZnHg by Materials Project

description: Hf2HgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2HgZn ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Hg and one Zn atom. The Hf–Hg bond length is 2.89 Å. The Hf–Zn bond length is 2.78 Å. Hg is bonded in a linear geometry to two equivalent Hf atoms. Zn is bonded in a linear geometry to two equivalent Hf atoms.
DOI: 10.17188/1740891
title: Materials Data on Li2VCoO4 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: 10.17188/1740892
title: Materials Data on MnP2O7 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: 10.17188/1740893
title: Materials Data on Na2PbO3 by Materials Project

description: Na2PbO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four PbO6 octahedra, edges with four PbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are a spread of Na–O bond distances ranging from 2.40–2.58 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six PbO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Na–O bond lengths are 2.44 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four PbO6 octahedra, edges with four PbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are two shorter (2.37 Å) and four longer (2.55 Å) Na–O bond lengths. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded to six O2- atoms to form PbO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent PbO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–9°. There are four shorter (2.24 Å) and two longer (2.25 Å) Pb–O bond lengths. In the second Pb4+ site, Pb4+ is bonded to six O2- atoms to form PbO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent PbO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–9°. There are four shorter (2.24 Å) and two longer (2.25 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and two Pb4+ atoms to form a mixture of edge and corner-sharing ONa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the second O2- site, O2- is bonded to four Na1+ and two Pb4+ atoms to form a mixture of edge and corner-sharing ONa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the third O2- site, O2- is bonded to four Na1+ and two Pb4+ atoms to form a mixture of edge and corner-sharing ONa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
DOI: 10.17188/1740894
title: Materials Data on Al2CoNi by Materials Project

description: CoNiAl2 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Co is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Co–Al bond lengths are 2.48 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. Al is bonded in a body-centered cubic geometry to four equivalent Co and four equivalent Ni atoms.
DOI: 10.17188/1740895
title: Materials Data on Li3V3P8O29 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: 10.17188/1740896
title: Materials Data on V2(OF)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: 10.17188/1740897
title: Materials Data on C2NClO by Materials Project

description: CNCOCl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two formyl chloride molecules and two hydrogen cyanide molecules.
DOI: 10.17188/1740898
title: Materials Data on Mg2CuIr by Materials Project

description: Mg2IrCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2IrCu ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to one Ir and one Cu atom. The Mg–Ir bond length is 2.46 Å. The Mg–Cu bond length is 2.51 Å. Ir is bonded in a linear geometry to two equivalent Mg atoms. Cu is bonded in a linear geometry to two equivalent Mg atoms.
DOI: 10.17188/1740899
title: Materials Data on Ca8La2Ti5Cr5O30 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: 10.17188/1740900
title: Materials Data on ZnH9C4NO6 by Materials Project

description: ZnH3(CO2)3CH3NH3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four methylammonium molecules and one ZnH3(CO2)3 framework. In the ZnH3(CO2)3 framework, Zn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.11–2.21 Å. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. In the second C1+ site, C1+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one C1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one C1+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one C1+ atom.
DOI: 10.17188/1740901
title: Materials Data on HfZrNb2 by Materials Project

description: HfZrNb2 crystallizes in the orthorhombic Cmm2 space group. The structure is two-dimensional and consists of one HfZrNb2 sheet oriented in the (0, 0, 1) direction. Hf is bonded in a 8-coordinate geometry to two equivalent Nb atoms. Both Hf–Nb bond lengths are 2.90 Å. Zr is bonded in a 8-coordinate geometry to four equivalent Nb atoms. There are two shorter (2.94 Å) and two longer (3.48 Å) Zr–Nb bond lengths. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 8-coordinate geometry to four equivalent Zr and ten Nb atoms. There are a spread of Nb–Nb bond distances ranging from 2.74–3.36 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to two equivalent Hf and four equivalent Nb atoms.
DOI: 10.17188/1740903
title: Materials Data on Mg3Mn2(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: 10.17188/1740904
title: Materials Data on EuMg2 by Materials Project

description: EuMg2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Eu atoms to form a mixture of corner, edge, and face-sharing MgEu6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. There are two shorter (3.65 Å) and four longer (3.66 Å) Mg–Eu bond lengths. In the second Mg site, Mg is bonded to six Mg and six equivalent Eu atoms to form a mixture of corner, edge, and face-sharing MgEu6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.15 Å. There are four shorter (3.69 Å) and two longer (3.70 Å) Mg–Eu bond lengths. In the third Mg site, Mg is bonded to six Mg and six equivalent Eu atoms to form a mixture of corner, edge, and face-sharing MgEu6Mg6 cuboctahedra. All Mg–Eu bond lengths are 3.70 Å. Eu is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Eu atoms. There are three shorter (3.82 Å) and one longer (3.94 Å) Eu–Eu bond lengths.
DOI: 10.17188/1740905
title: Materials Data on AlBW by Materials Project

description: WAlB crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. W is bonded in a 11-coordinate geometry to five equivalent Al and six equivalent B atoms. There are four shorter (2.72 Å) and one longer (2.93 Å) W–Al bond lengths. There are two shorter (2.37 Å) and four longer (2.38 Å) W–B bond lengths. Al is bonded in a 1-coordinate geometry to five equivalent W, four equivalent Al, and one B atom. All Al–Al bond lengths are 2.64 Å. The Al–B bond length is 2.32 Å. B is bonded in a 9-coordinate geometry to six equivalent W, one Al, and two equivalent B atoms. Both B–B bond lengths are 1.83 Å.