cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1677792
title: Materials Data on Ba3Ni3N5 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: 10.17188/1677793
title: Materials Data on TbMn6(Sn2Ge)2 by Materials Project

description: TbMn6Sn4Ge2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to two equivalent Sn and six equivalent Ge atoms to form distorted edge-sharing TbSn2Ge6 hexagonal bipyramids. Both Tb–Sn bond lengths are 2.91 Å. All Tb–Ge bond lengths are 3.09 Å. Mn is bonded in a 12-coordinate geometry to four Sn and two equivalent Ge atoms. There are two shorter (2.79 Å) and two longer (2.82 Å) Mn–Sn bond lengths. Both Mn–Ge bond lengths are 2.54 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to one Tb, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.87 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Mn atoms.
DOI: 10.17188/1677794
title: Materials Data on Mg16Al12Sb by Materials Project

description: Mg16Al12Sb crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to three equivalent Mg, twelve Al, and one Sb atom. All Mg–Mg bond lengths are 3.16 Å. There are a spread of Mg–Al bond distances ranging from 3.19–3.26 Å. The Mg–Sb bond length is 3.09 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. All Mg–Mg bond lengths are 3.05 Å. There are a spread of Mg–Al bond distances ranging from 3.10–3.12 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg, five Al, and one Sb atom. There are two shorter (3.15 Å) and two longer (3.18 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.94–3.25 Å. The Mg–Sb bond length is 3.06 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and five Al atoms. There are two shorter (3.12 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.95–3.14 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.23 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.17 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to eight Mg and three Al atoms. There are one shorter (2.70 Å) and two longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.75 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, three Al, and one Sb atom. There are one shorter (2.76 Å) and one longer (2.81 Å) Al–Al bond lengths. The Al–Sb bond length is 3.12 Å. Sb is bonded in a 10-coordinate geometry to four Mg and six equivalent Al atoms.
DOI: 10.17188/1677795
title: Materials Data on CoMo4O15 by Materials Project

description: Mo4CoO15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to six O atoms to form distorted MoO6 octahedra that share a cornercorner with one MoO6 octahedra and corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Mo–O bond distances ranging from 1.78–2.20 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.23 Å. Co is bonded to six O atoms to form CoO6 octahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 3–11°. There is two shorter (1.87 Å) and four longer (1.89 Å) Co–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mo and one Co atom. In the second O site, O is bonded in a linear geometry to one Mo and one Co atom. In the third O site, O is bonded in a linear geometry to two equivalent Mo atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a distorted T-shaped geometry to three Mo atoms. In the sixth O site, O is bonded in a linear geometry to two Mo atoms. In the seventh O site, O is bonded in a linear geometry to one Mo and one Co atom. In the eighth O site, O is bonded in a single-bond geometry to one Mo atom.
DOI: 10.17188/1677796
title: Materials Data on Ba2AlCr3O7 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: 10.17188/1677797
title: Materials Data on LaAgAs2 by Materials Project

description: LaAgAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to one Ag1+ and seven As2- atoms. The La–Ag bond length is 3.17 Å. There are a spread of La–As bond distances ranging from 3.01–3.75 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to eight As2- atoms. There are a spread of La–As bond distances ranging from 3.12–3.66 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to one La3+ and five As2- atoms. There are a spread of Ag–As bond distances ranging from 2.59–2.82 Å. In the second Ag1+ site, Ag1+ is bonded to four As2- atoms to form distorted edge-sharing AgAs4 tetrahedra. All Ag–As bond lengths are 2.72 Å. There are three inequivalent As2- sites. In the first As2- site, As2- is bonded in a 1-coordinate geometry to four La3+, two equivalent Ag1+, and two equivalent As2- atoms. There are one shorter (2.53 Å) and one longer (2.62 Å) As–As bond lengths. In the second As2- site, As2- is bonded to four La3+ and two equivalent Ag1+ atoms to form distorted corner-sharing AsLa4Ag2 pentagonal pyramids. In the third As2- site, As2- is bonded in a 6-coordinate geometry to three La3+ and three Ag1+ atoms.
DOI: 10.17188/1677798
title: Materials Data on CoO2 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: 10.17188/1677799
title: Materials Data on Ba2Y2Co3CuO10 by Materials Project

description: Ba2Y2Co3CuO10 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, faces with two equivalent CuO5 square pyramids, faces with four CoO5 square pyramids, and faces with two equivalent CoO5 trigonal bipyramids. There are a spread of Ba–O bond distances ranging from 2.77–3.15 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.45 Å) Y–O bond lengths. There are three inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to five O2- atoms to form CoO5 square pyramids that share a cornercorner with one CoO5 square pyramid, corners with four equivalent CuO5 square pyramids, and faces with four equivalent BaO12 cuboctahedra. There are four shorter (1.97 Å) and one longer (2.03 Å) Co–O bond lengths. In the second Co+2.67+ site, Co+2.67+ is bonded to five O2- atoms to form CoO5 square pyramids that share a cornercorner with one CoO5 square pyramid, corners with four equivalent CoO5 trigonal bipyramids, and faces with four equivalent BaO12 cuboctahedra. There are four shorter (2.02 Å) and one longer (2.07 Å) Co–O bond lengths. In the third Co+2.67+ site, Co+2.67+ is bonded to five O2- atoms to form distorted CoO5 trigonal bipyramids that share a cornercorner with one CuO5 square pyramid, corners with four equivalent CoO5 square pyramids, and faces with four equivalent BaO12 cuboctahedra. There is one shorter (1.80 Å) and four longer (2.00 Å) Co–O bond length. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with four equivalent CoO5 square pyramids, a cornercorner with one CoO5 trigonal bipyramid, and faces with four equivalent BaO12 cuboctahedra. There are four shorter (2.00 Å) and one longer (2.35 Å) Cu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, one Co+2.67+, and one Cu2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two Co+2.67+ atoms. In the third O2- site, O2- is bonded to four equivalent Ba2+, one Co+2.67+, and one Cu2+ atom to form distorted OBa4CoCu octahedra that share corners with four equivalent OBa4CoCu octahedra and edges with four equivalent OBa4Co2 octahedra. The corner-sharing octahedral tilt angles are 6°. In the fourth O2- site, O2- is bonded to four equivalent Ba2+ and two Co+2.67+ atoms to form OBa4Co2 octahedra that share corners with four equivalent OBa4Co2 octahedra and edges with four equivalent OBa4CoCu octahedra. The corner-sharing octahedral tilt angles are 1°.
DOI: 10.17188/1677800
title: Materials Data on AlRh3 by Materials Project

description: Rh3Al is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to eight equivalent Rh and four equivalent Al atoms to form distorted RhAl4Rh8 cuboctahedra that share corners with four equivalent AlRh12 cuboctahedra, corners with fourteen equivalent RhAl4Rh8 cuboctahedra, edges with six equivalent AlRh12 cuboctahedra, edges with twelve equivalent RhAl4Rh8 cuboctahedra, faces with four equivalent AlRh12 cuboctahedra, and faces with sixteen equivalent RhAl4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.70–2.75 Å. There are two shorter (2.69 Å) and two longer (2.73 Å) Rh–Al bond lengths. Al is bonded to twelve equivalent Rh atoms to form AlRh12 cuboctahedra that share corners with six equivalent AlRh12 cuboctahedra, corners with twelve equivalent RhAl4Rh8 cuboctahedra, edges with eighteen equivalent RhAl4Rh8 cuboctahedra, faces with eight equivalent AlRh12 cuboctahedra, and faces with twelve equivalent RhAl4Rh8 cuboctahedra.
DOI: 10.17188/1677801
title: Materials Data on V2Si4O11 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: 10.17188/1677803
title: Materials Data on Ta2CuOs by Materials Project

description: Ta2OsCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2OsCu ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Os and one Cu atom. The Ta–Os bond length is 2.28 Å. The Ta–Cu bond length is 2.60 Å. Os is bonded in a linear geometry to two equivalent Ta atoms. Cu is bonded in a linear geometry to two equivalent Ta atoms.
DOI: 10.17188/1677804
title: Materials Data on ReSbN 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: 10.17188/1677805
title: Materials Data on Ba3ZnSb2O9 by Materials Project

description: Ba3ZnSb2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent SbO6 octahedra, faces with seven BaO12 cuboctahedra, faces with three equivalent ZnO6 octahedra, and faces with four equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Ba–O bond distances ranging from 2.97–3.06 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent ZnO6 octahedra, and faces with six equivalent SbO6 octahedra. There are six shorter (2.98 Å) and six longer (2.99 Å) Ba–O bond lengths. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. All Zn–O bond lengths are 2.14 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent ZnO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three shorter (1.96 Å) and three longer (2.10 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to four Ba2+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Zn2+, and one Sb5+ atom.
DOI: 10.17188/1677806
title: Materials Data on ZrSeS by Materials Project

description: ZrSeS is trigonal omega-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one ZrSeS sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form edge-sharing ZrSe3S3 octahedra. All Zr–Se bond lengths are 2.72 Å. All Zr–S bond lengths are 2.58 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Zr4+ atoms.
DOI: 10.17188/1677807
title: Materials Data on ZrNO6 by Materials Project

description: ZrO3NO3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four NO3 clusters and one ZrO3 sheet oriented in the (0, 0, 1) direction. In each NO3 cluster, N is bonded in a 2-coordinate geometry to two O atoms. There is one shorter (1.15 Å) and one longer (1.92 Å) N–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.26 Å. In the third O site, O is bonded in a water-like geometry to one N and one O atom. In the ZrO3 sheet, Zr is bonded in a 7-coordinate geometry to six O atoms. There are a spread of Zr–O bond distances ranging from 1.94–2.20 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Zr atoms. In the second O site, O is bonded in a 2-coordinate geometry to two equivalent Zr and one O atom. The O–O bond length is 1.52 Å.
DOI: 10.17188/1677808
title: Materials Data on TiPb15O17 by Materials Project

description: TiPb15O17 crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one TiPb15O17 sheet oriented in the (0, 1, 0) direction. Ti4+ is bonded to five O2- atoms to form distorted corner-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.71–2.13 Å. There are six inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.34 Å) and two longer (2.36 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.34 Å) and two longer (2.35 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.34 Å) and two longer (2.36 Å) Pb–O bond lengths. In the fourth Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.41 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.36 Å. In the sixth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.35–2.39 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form OPb4 tetrahedra that share corners with four OPb4 tetrahedra and edges with four OTiPb3 tetrahedra. In the second O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Ti4+ and two equivalent Pb2+ atoms to form distorted OTi2Pb2 tetrahedra that share corners with four OPb4 tetrahedra and edges with four equivalent OTiPb3 tetrahedra. In the fifth O2- site, O2- is bonded to four Pb2+ atoms to form OPb4 tetrahedra that share corners with four OTiPb3 tetrahedra and edges with four OPb4 tetrahedra. In the sixth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. The O–Pb bond length is 2.34 Å. In the seventh O2- site, O2- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the eighth O2- site, O2- is bonded to one Ti4+ and three Pb2+ atoms to form distorted OTiPb3 tetrahedra that share corners with four OTiPb3 tetrahedra and edges with four OPb4 tetrahedra. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Ti4+ atom. In the tenth O2- site, O2- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra.
DOI: 10.17188/1677810
title: Materials Data on Li6Fe5NiO12 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: 10.17188/1677811
title: Materials Data on MgCd by Materials Project

description: MgCd is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Cd atoms to form a mixture of edge and corner-sharing MgCd6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–Cd bond lengths are 2.97 Å. Cd is bonded to six equivalent Mg atoms to form a mixture of edge and corner-sharing CdMg6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1677812
title: Materials Data on IrC4 by Materials Project

description: IrC4 is lead oxide-like structured and crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. Ir4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C1- atoms. All Ir–C bond lengths are 2.19 Å. C1- is bonded to one Ir4+ and three equivalent C1- atoms to form distorted corner-sharing CIrC3 tetrahedra. There is one shorter (1.42 Å) and two longer (1.47 Å) C–C bond length.
DOI: 10.17188/1677814
title: Materials Data on Al2O3 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: 10.17188/1677815
title: Materials Data on Ba5B3ClO9 by Materials Project

description: Ba5B3O9Cl crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to seven O2- and two equivalent Cl1- atoms. There are a spread of Ba–O bond distances ranging from 2.71–2.99 Å. Both Ba–Cl bond lengths are 3.30 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Ba–O bond distances ranging from 2.61–3.16 Å. There are one shorter (3.10 Å) and one longer (3.40 Å) Ba–Cl bond lengths. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.02 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.80–3.03 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.39–1.41 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.41 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Ba2+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to five Ba2+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one B3+ atom. Cl1- is bonded in a 6-coordinate geometry to six Ba2+ atoms.
DOI: 10.18154/rwth-2019-04058
title: Overviews and data compilation of loading tests, DIC, SEM pore quantification, and drying of all analysed samples - Dataset of the dissertation "Deformation properties of Boom Clay - Implementation of a multi-scale concept"

description: This dataset contains research data to the PhD thesis "Deformation properties of Boom Clay - Implementation of a multi-scale concept". This study examines the development of microstructure during triaxial tests on Boom Clay. A range of methods was used and integrated in a multi-scale analysis. Further explanations on the provided files is given within the "DATA_DESCRIPTION.pdf".
DOI: 10.17188/1677816
title: Materials Data on NaEu2Tl by Materials Project

description: NaEu2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. All Na–Eu bond lengths are 3.51 Å. Eu is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Tl atoms. All Eu–Tl bond lengths are 3.51 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.
DOI: 10.17188/1677817
title: Materials Data on Se2S2O7 by Materials Project

description: (Se)2S2O7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four disulfuric acid molecules and eight selenium molecules.