cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1680999
title: Materials Data on TbZn3 by Materials Project

description: TbZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to fourteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.00–3.46 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Tb and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.78 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Tb and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–3.08 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Tb and six Zn atoms.
DOI: 10.17188/1681000
title: Materials Data on Y(Mo3Se4)2 by Materials Project

description: Y(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.82 Å) and six longer (3.12 Å) Y–Se bond lengths. Mo+2.17+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.75 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Y3+ and three equivalent Mo+2.17+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Y3+ and four equivalent Mo+2.17+ atoms.
DOI: 10.17188/1681001
title: Materials Data on MgH7C3NO6 by Materials Project

description: MgH3(CO2)3NH4 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional and consists of six ammonium molecules and one MgH3(CO2)3 framework. In the MgH3(CO2)3 framework, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.14 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. In the third C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C2+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C2+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one C2+ atom.
DOI: 10.17188/1681002
title: Materials Data on CoRh3 by Materials Project

description: Rh3Co1 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh is bonded to eight equivalent Rh and four equivalent Co atoms to form distorted RhCo4Rh8 cuboctahedra that share corners with twelve equivalent RhCo4Rh8 cuboctahedra, edges with eight equivalent CoRh12 cuboctahedra, edges with sixteen equivalent RhCo4Rh8 cuboctahedra, faces with four equivalent CoRh12 cuboctahedra, and faces with fourteen equivalent RhCo4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.66 Å. All Rh–Co bond lengths are 2.66 Å. Co is bonded to twelve equivalent Rh atoms to form CoRh12 cuboctahedra that share corners with twelve equivalent CoRh12 cuboctahedra, edges with twenty-four equivalent RhCo4Rh8 cuboctahedra, faces with six equivalent CoRh12 cuboctahedra, and faces with twelve equivalent RhCo4Rh8 cuboctahedra.
DOI: 10.17188/1681003
title: Materials Data on BaSrHg2 by Materials Project

description: BaSrHg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BaSrHg2 ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to two equivalent Hg atoms. Both Ba–Hg bond lengths are 3.71 Å. Sr is bonded in a linear geometry to two equivalent Hg atoms. Both Sr–Hg bond lengths are 3.58 Å. Hg is bonded in a linear geometry to one Ba and one Sr atom.
DOI: 10.17188/1681004
title: Materials Data on ZrCu2(O3F2)4 by Materials Project

description: ZrCu2(O3F2)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ZrCu2(O3F2)4 clusters. Zr is bonded to six F atoms to form distorted ZrF6 pentagonal pyramids that share corners with two equivalent CuO4F trigonal bipyramids. There are a spread of Zr–F bond distances ranging from 1.99–2.20 Å. Cu is bonded to four O and one F atom to form distorted CuO4F trigonal bipyramids that share a cornercorner with one ZrF6 pentagonal pyramid. There are a spread of Cu–O bond distances ranging from 1.88–2.29 Å. The Cu–F bond length is 2.00 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.33 Å. In the second O site, O is bonded in a water-like geometry to one Cu and one F atom. The O–F bond length is 1.41 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.22 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Zr atom. In the second F site, F is bonded in a single-bond geometry to one O atom. In the third F site, F is bonded in a single-bond geometry to one Zr atom. In the fourth F site, F is bonded in a bent 120 degrees geometry to one Zr and one Cu atom.
DOI: 10.17188/1681005
title: Materials Data on EuEr2O4 by Materials Project

description: Er2EuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Er–O bond distances ranging from 2.20–2.35 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Er–O bond distances ranging from 2.24–2.32 Å. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted corner and edge-sharing OEu2Er3 trigonal bipyramids. In the second O2- site, O2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of corner and edge-sharing OEu2Er3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms.
DOI: 10.5281/zenodo.4485391
title: Regional Revised River Runoff Reanalysis (R5): historical and projected river runoff data set for the northwest of the European part of Russia

description: This data set presents a uniform spatio-temporal assessment of projected river runoff for the northwest of the European part of Russia, which is based on two hydrological models (GR4J-REG and LSTM-REG), four General Circulation models (GFDL-ESM2M, HadGEM2-ES, IPSL-CM5A, and MIROC5), and three Representative Concentration Pathways (RCP2.6, RCP6.0, and RCP8.5). Each of the 24 gridded runoff data sets has daily temporal and 0.5° spatial resolution. They cover the geographical domain of 25–57° East and 55–70° North, and the temporal period from 2006 (2007 for LSTM-REG) to 2099.
DOI: 10.5281/zenodo.4485390
title: Regional Revised River Runoff Reanalysis (R5): historical and projected river runoff data set for the northwest of the European part of Russia

description: This data set presents a uniform spatio-temporal assessment of projected river runoff for the northwest of the European part of Russia, which is based on two hydrological models (GR4J-REG and LSTM-REG), four General Circulation models (GFDL-ESM2M, HadGEM2-ES, IPSL-CM5A, and MIROC5), and three Representative Concentration Pathways (RCP2.6, RCP6.0, and RCP8.5). Each of the 24 gridded runoff data sets has daily temporal and 0.5° spatial resolution. They cover the geographical domain of 25–57° East and 55–70° North, and the temporal period from 2006 (2007 for LSTM-REG) to 2099.
DOI: 10.17188/1681007
title: Materials Data on Ca4Al6WO16 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: 10.17188/1681008
title: Materials Data on Zn4SO14 by Materials Project

description: (Zn4O9)2(SO4)2O2 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one oxygen molecule; two sulfuric acid molecules; and one Zn4O9 sheet oriented in the (0, 0, 1) direction. In the Zn4O9 sheet, there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted octahedral geometry to six O atoms. There are three shorter (1.98 Å) and three longer (2.05 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Zn–O bond distances ranging from 1.96–2.09 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Zn atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Zn atoms. In the third O site, O is bonded in a single-bond geometry to one Zn atom.
DOI: 10.17188/1681009
title: Materials Data on Li4Pr3Ge4 by Materials Project

description: Li4Pr3Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li is bonded to three equivalent Pr and four Ge atoms to form distorted LiPr3Ge4 tetrahedra that share a cornercorner with one PrGe6 octahedra, corners with five equivalent LiPr3Ge4 tetrahedra, edges with two equivalent PrGe6 octahedra, edges with six equivalent LiPr3Ge4 tetrahedra, and faces with four equivalent LiPr3Ge4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (3.15 Å) and one longer (3.22 Å) Li–Pr bond lengths. There are a spread of Li–Ge bond distances ranging from 2.67–2.75 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Ge atoms to form PrGe6 octahedra that share corners with four equivalent LiPr3Ge4 tetrahedra, edges with two equivalent PrGe6 octahedra, and edges with eight equivalent LiPr3Ge4 tetrahedra. There are four shorter (3.12 Å) and two longer (3.17 Å) Pr–Ge bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Li and six Ge atoms. There are two shorter (3.22 Å) and four longer (3.23 Å) Pr–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li, six Pr, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Li and three Pr atoms.
DOI: 10.17188/1681010
title: Materials Data on BaCeCuS3 by Materials Project

description: BaCeCuS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ba–S bond distances ranging from 3.14–3.23 Å. Ce3+ is bonded to seven S2- atoms to form distorted CeS7 pentagonal bipyramids that share corners with two equivalent CeS7 pentagonal bipyramids, a cornercorner with one CuS4 tetrahedra, edges with four equivalent CeS7 pentagonal bipyramids, and edges with four equivalent CuS4 tetrahedra. There are a spread of Ce–S bond distances ranging from 2.86–3.17 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share a cornercorner with one CeS7 pentagonal bipyramid, corners with two equivalent CuS4 tetrahedra, and edges with four equivalent CeS7 pentagonal bipyramids. There are a spread of Cu–S bond distances ranging from 2.30–2.37 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Ce3+, and two equivalent Cu1+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Ce3+, and one Cu1+ atom. In the third S2- site, S2- is bonded to three equivalent Ba2+, two equivalent Ce3+, and one Cu1+ atom to form distorted edge-sharing SBa3Ce2Cu octahedra.
DOI: 10.17188/1681012
title: Materials Data on Tl2Pd(CN)4 by Materials Project

description: PdTl2(CN)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded in a distorted square co-planar geometry to four C2+ atoms. All Pd–C bond lengths are 1.99 Å. Tl1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Tl–N bond distances ranging from 2.91–3.19 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted linear geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a distorted linear geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C2+ atom.
DOI: 10.17188/1681014
title: Materials Data on CaTb3Mn4O12 by Materials Project

description: CaTb3Mn4O12 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.75 Å. There are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.27–2.71 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.27–2.68 Å. In the third Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.62 Å. There are two inequivalent Mn+3.25+ sites. In the first Mn+3.25+ site, Mn+3.25+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–34°. There are a spread of Mn–O bond distances ranging from 1.96–2.13 Å. In the second Mn+3.25+ site, Mn+3.25+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–35°. There are a spread of Mn–O bond distances ranging from 1.94–2.06 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, one Tb3+, and two equivalent Mn+3.25+ atoms to form distorted OCaTbMn2 tetrahedra that share corners with two equivalent OCaTbMn2 tetrahedra and corners with two equivalent OTb2Mn2 trigonal pyramids. In the second O2- site, O2- is bonded to one Ca2+, one Tb3+, and two equivalent Mn+3.25+ atoms to form distorted corner-sharing OCaTbMn2 tetrahedra. In the third O2- site, O2- is bonded to two Tb3+ and two equivalent Mn+3.25+ atoms to form distorted corner-sharing OTb2Mn2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Tb3+ and two equivalent Mn+3.25+ atoms to form distorted OTb2Mn2 tetrahedra that share corners with two equivalent OCaTbMn2 tetrahedra and corners with two equivalent OTb2Mn2 trigonal pyramids. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Tb3+, and two Mn+3.25+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Tb3+, and two Mn+3.25+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three Tb3+ and two Mn+3.25+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Tb3+, and two Mn+3.25+ atoms.
DOI: 10.17188/1681015
title: Materials Data on YGaNi by Materials Project

description: YNiGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ga atoms. There are a spread of Y–Ni bond distances ranging from 2.86–3.26 Å. There are a spread of Y–Ga bond distances ranging from 3.02–3.12 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.50–2.69 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Ni atoms.
DOI: 10.17188/1681016
title: Materials Data on Dy4Pt by Materials Project

description: Dy4Pt is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Dy4Pt clusters. Dy is bonded in a single-bond geometry to one Pt atom. The Dy–Pt bond length is 2.65 Å. Pt is bonded in a tetrahedral geometry to four equivalent Dy atoms.
DOI: 10.17188/1681017
title: Materials Data on Ce7Pt3 by Materials Project

description: Ce7Pt3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are five inequivalent Ce sites. In the first Ce site, Ce is bonded in a 3-coordinate geometry to three Pt atoms. All Ce–Pt bond lengths are 3.00 Å. In the second Ce site, Ce is bonded in a 3-coordinate geometry to four Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.90–3.53 Å. In the third Ce site, Ce is bonded in a 3-coordinate geometry to four Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.90–3.54 Å. In the fourth Ce site, Ce is bonded in a 2-coordinate geometry to four equivalent Pt atoms. There are two shorter (2.89 Å) and two longer (3.45 Å) Ce–Pt bond lengths. In the fifth Ce site, Ce is bonded in a 2-coordinate geometry to four Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.90–3.46 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to nine Ce atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to nine Ce atoms.
DOI: 10.17188/1681018
title: Materials Data on AgBiTe3Pb by Materials Project

description: AgPbBiTe3 is alpha Po-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ag1+ is bonded to six Te2- atoms to form AgTe6 octahedra that share corners with two equivalent AgTe6 octahedra, corners with two equivalent PbTe6 octahedra, corners with two equivalent BiTe6 octahedra, edges with two equivalent AgTe6 octahedra, edges with five equivalent PbTe6 octahedra, and edges with five equivalent BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of Ag–Te bond distances ranging from 3.05–3.19 Å. Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with two equivalent AgTe6 octahedra, corners with two equivalent PbTe6 octahedra, corners with two equivalent BiTe6 octahedra, edges with two equivalent PbTe6 octahedra, edges with five equivalent AgTe6 octahedra, and edges with five equivalent BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. There are a spread of Pb–Te bond distances ranging from 3.19–3.29 Å. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with two equivalent AgTe6 octahedra, corners with two equivalent PbTe6 octahedra, corners with two equivalent BiTe6 octahedra, edges with two equivalent BiTe6 octahedra, edges with five equivalent AgTe6 octahedra, and edges with five equivalent PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are a spread of Bi–Te bond distances ranging from 3.15–3.20 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeAg2Bi2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the second Te2- site, Te2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeAg2Bi2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. In the third Te2- site, Te2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeAg2Bi2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 1–8°.
DOI: 10.17188/1681019
title: Materials Data on NbFeSi by Materials Project

description: NbFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Nb–Si bond distances ranging from 2.62–2.75 Å. Fe2+ is bonded in a 6-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) Fe–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Fe2+ atoms.
DOI: 10.17188/1681020
title: Materials Data on BeH by Materials Project

description: BeH is Boron Nitride structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Be is bonded in a rectangular see-saw-like geometry to four equivalent H atoms. All Be–H bond lengths are 1.67 Å. H is bonded in a rectangular see-saw-like geometry to four equivalent Be atoms.