cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1731883
title: Materials Data on Tm2GaNi2 by Materials Project

description: Tm2Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Ga atoms. There are two shorter (2.82 Å) and four longer (2.92 Å) Tm–Ni bond lengths. There are two shorter (3.15 Å) and two longer (3.19 Å) Tm–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Tm, one Ni, and two equivalent Ga atoms. The Ni–Ni bond length is 2.43 Å. Both Ni–Ga bond lengths are 2.54 Å. Ga is bonded to eight equivalent Tm and four equivalent Ni atoms to form a mixture of face and edge-sharing GaTm8Ni4 cuboctahedra.
DOI: 10.17188/1731884
title: Materials Data on La4Bi4S8O3F by Materials Project

description: La4Bi4S8O3F crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent S2-, three O2-, and one F1- atom. There are two shorter (3.09 Å) and two longer (3.20 Å) La–S bond lengths. There are one shorter (2.36 Å) and two longer (2.44 Å) La–O bond lengths. The La–F bond length is 2.51 Å. Bi+2.75+ is bonded to six S2- atoms to form BiS6 octahedra that share corners with four equivalent BiS6 octahedra, a cornercorner with one FLa4S4 tetrahedra, corners with three OLa4S4 tetrahedra, and edges with eight equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Bi–S bond distances ranging from 2.59–3.33 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Bi+2.75+ atoms to form a mixture of edge and corner-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+, one Bi+2.75+, three O2-, and one F1- atom. There are two shorter (3.28 Å) and one longer (3.29 Å) S–O bond lengths. The S–F bond length is 3.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ and four equivalent S2- atoms to form OLa4S4 tetrahedra that share corners with four equivalent BiS6 octahedra, edges with four equivalent FLa4S4 tetrahedra, and faces with four equivalent OLa4S4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the second O2- site, O2- is bonded to four equivalent La3+ and four equivalent S2- atoms to form OLa4S4 tetrahedra that share corners with four equivalent BiS6 octahedra, edges with four equivalent OLa4S4 tetrahedra, faces with two equivalent OLa4S4 tetrahedra, and faces with two equivalent FLa4S4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. F1- is bonded to four equivalent La3+ and four equivalent S2- atoms to form distorted FLa4S4 tetrahedra that share corners with four equivalent BiS6 octahedra, edges with four equivalent OLa4S4 tetrahedra, and faces with four equivalent OLa4S4 tetrahedra. The corner-sharing octahedral tilt angles are 38°.
DOI: 10.6084/m9.figshare.13686196
title: review_litt_full.bib

description: Selected and Analysed papers in 'Why, What, and How Should K-12 Students Learn About Machine Learning: A Literature Review of an Emerging Topic'
DOI: 10.6084/m9.figshare.13686196.v1
title: review_litt_full.bib

description: Selected and Analysed papers in 'Why, What, and How Should K-12 Students Learn About Machine Learning: A Literature Review of an Emerging Topic'
DOI: 10.17188/1731886
title: Materials Data on Y2PtAu by Materials Project

description: Y2PtAu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2PtAu ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Pt and one Au atom. The Y–Pt bond length is 2.54 Å. The Y–Au bond length is 2.82 Å. Pt is bonded in a linear geometry to two equivalent Y atoms. Au is bonded in a linear geometry to two equivalent Y atoms.
DOI: 10.17188/1731887
title: Materials Data on V2Ni2PbO8 by Materials Project

description: PbNi2V2O8 crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.04–2.14 Å. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–3.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Ni2+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, two equivalent Ni2+, and one Pb2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, two equivalent Ni2+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Ni2+, and two equivalent Pb2+ atoms.
DOI: 10.17188/1731889
title: Materials Data on Ba2Si3Ge5O18 by Materials Project

description: Ba2Ge5Si3O18 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.76 Å) and three longer (2.87 Å) Ba–O bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with three equivalent GeO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. There is three shorter (1.90 Å) and three longer (1.91 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Ge4+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms.
DOI: 10.17188/1731891
title: Materials Data on H6C(SN)2 by Materials Project

description: CNH2S2NH4 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight ammonium molecules and eight dithiocarbamic acid molecules.
DOI: 10.17188/1731892
title: Materials Data on Zr2CuSn3 by Materials Project

description: (ZrSn)2CuSn crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one 7440-31-5 molecule, one copper molecule, and two ZrSn clusters. In each ZrSn cluster, Zr is bonded in a single-bond geometry to one Sn atom. The Zr–Sn bond length is 2.81 Å. Sn is bonded in a single-bond geometry to one Zr atom.
DOI: 10.17188/1731893
title: Materials Data on ThB2Rh2C by Materials Project

description: ThRh2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Th–C bond lengths are 2.75 Å. Rh3+ is bonded to four equivalent B3- atoms to form a mixture of edge and corner-sharing RhB4 tetrahedra. All Rh–B bond lengths are 2.21 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Rh3+ and one C4- atom. The B–C bond length is 1.52 Å. C4- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent B3- atoms.
DOI: 10.17188/1731894
title: Materials Data on Ca3(IrN2)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: 10.17188/1731895
title: Materials Data on LiFe2SiO4 by Materials Project

description: LiFe2SiO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.02 Å. Fe is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 2.01–2.35 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one Li, two equivalent Fe, and one Si atom. In the second O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form corner-sharing OLiFe2Si tetrahedra. In the third O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form distorted corner-sharing OLiFe2Si trigonal pyramids.
DOI: 10.17188/1731896
title: Materials Data on Li3Mn3TeO8 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: 10.17188/1731897
title: Materials Data on MgHg5 by Materials Project

description: MgHg5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Hg atoms. There are six shorter (3.07 Å) and six longer (3.51 Å) Mg–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted water-like geometry to two equivalent Mg and four equivalent Hg atoms. All Hg–Hg bond lengths are 3.21 Å. In the second Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Hg atoms.
DOI: 10.17188/1731899
title: Materials Data on NdMnAsO 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: 10.17188/1731901
title: Materials Data on Yb3Er by Materials Project

description: Yb3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Er atoms to form YbYb8Er4 cuboctahedra that share corners with four equivalent ErYb12 cuboctahedra, corners with fourteen equivalent YbYb8Er4 cuboctahedra, edges with six equivalent ErYb12 cuboctahedra, edges with twelve equivalent YbYb8Er4 cuboctahedra, faces with four equivalent ErYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Er4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.65–3.83 Å. There are two shorter (3.69 Å) and two longer (3.74 Å) Yb–Er bond lengths. Er is bonded to twelve equivalent Yb atoms to form ErYb12 cuboctahedra that share corners with six equivalent ErYb12 cuboctahedra, corners with twelve equivalent YbYb8Er4 cuboctahedra, edges with eighteen equivalent YbYb8Er4 cuboctahedra, faces with eight equivalent ErYb12 cuboctahedra, and faces with twelve equivalent YbYb8Er4 cuboctahedra.
DOI: 10.17188/1731902
title: Materials Data on WN6 by Materials Project

description: WN6 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four ammonia molecules and two WN4 clusters. In each WN4 cluster, W6+ is bonded in a square co-planar geometry to four equivalent N1- atoms. All W–N bond lengths are 2.19 Å. N1- is bonded in a 2-coordinate geometry to one W6+ and one N1- atom. The N–N bond length is 1.17 Å.
DOI: 10.17188/1731903
title: Materials Data on Ca2AlCoO5 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: 10.17188/1731904
title: Materials Data on GdErRu2 by Materials Project

description: ErGdRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Er–Ru bond lengths are 2.95 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Gd–Ru bond lengths are 2.95 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Gd atoms.
DOI: 10.17188/1731905
title: Materials Data on TbIn2Ni9 by Materials Project

description: TbNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (2.98 Å) and eight longer (3.25 Å) Tb–Ni bond lengths. All Tb–In bond lengths are 3.24 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiTb2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiTb2In3Ni7 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.47 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.80 Å. In the second Ni site, Ni is bonded to two equivalent Tb, eight Ni, and two equivalent In atoms to form distorted NiTb2In2Ni8 cuboctahedra that share corners with twenty NiIn4Ni8 cuboctahedra, edges with six NiTb2In3Ni7 cuboctahedra, and faces with nineteen NiIn4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.46–2.67 Å. Both Ni–In bond lengths are 2.81 Å. In the third Ni site, Ni is bonded to two equivalent Tb, seven Ni, and three equivalent In atoms to form NiTb2In3Ni7 cuboctahedra that share corners with eighteen NiIn4Ni8 cuboctahedra, edges with nine NiTb2In2Ni8 cuboctahedra, and faces with twenty NiIn4Ni8 cuboctahedra. There are one shorter (2.38 Å) and one longer (2.42 Å) Ni–Ni bond lengths. There are one shorter (2.59 Å) and two longer (2.78 Å) Ni–In bond lengths. In is bonded in a 12-coordinate geometry to two equivalent Tb, twelve Ni, and one In atom. The In–In bond length is 2.90 Å.
DOI: 10.17188/1731906
title: Materials Data on RbHgO3 by Materials Project

description: RbHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent HgO6 octahedra. All Rb–O bond lengths are 3.10 Å. Hg is bonded to six equivalent O atoms to form HgO6 octahedra that share corners with six equivalent HgO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–O bond lengths are 2.19 Å. O is bonded to four equivalent Rb and two equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing ORb4Hg2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1731907
title: Materials Data on Fe2Cu(AsO7)2 by Materials Project

description: Fe2Cu(AsO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four equivalent AsO4 tetrahedra, and an edgeedge with one FeO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Fe–O bond distances ranging from 1.84–2.13 Å. Cu is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (1.82 Å) and two longer (2.32 Å) Cu–O bond lengths. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–64°. There are a spread of As–O bond distances ranging from 1.72–1.75 Å. There are seven 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 1.23 Å. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Fe and one As atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Fe and one As atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Cu and one As atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Fe and one As atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Fe atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one O atom.
DOI: 10.17188/1731908
title: Materials Data on Hg2C3I5N by Materials Project

description: (HgI2)2C3NI crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of four C3NI clusters and four HgI2 ribbons oriented in the (0, 0, 1) direction. In each C3NI cluster, there are three inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a distorted single-bond geometry to one C+1.33+ and one N3- atom. The C–C bond length is 1.22 Å. The C–N bond length is 1.30 Å. In the second C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.20 Å. In the third C+1.33+ site, C+1.33+ is bonded in a linear geometry to one C+1.33+ and one I1- atom. The C–I bond length is 1.97 Å. N3- is bonded in a linear geometry to two C+1.33+ atoms. I1- is bonded in a single-bond geometry to one C+1.33+ atom. In each HgI2 ribbon, Hg2+ is bonded in a distorted T-shaped geometry to three I1- atoms. There are a spread of Hg–I bond distances ranging from 2.64–3.18 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms.
DOI: 10.17188/1731910
title: Materials Data on Hf4CuSi3 by Materials Project

description: Hf4CuSi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Hf sites. In the first Hf site, Hf is bonded in a 7-coordinate geometry to one Cu and six Si atoms. The Hf–Cu bond length is 2.79 Å. There are four shorter (2.71 Å) and two longer (2.92 Å) Hf–Si bond lengths. In the second Hf site, Hf is bonded in a 7-coordinate geometry to two equivalent Cu and five Si atoms. Both Hf–Cu bond lengths are 2.89 Å. There are one shorter (2.70 Å) and four longer (2.74 Å) Hf–Si bond lengths. In the third Hf site, Hf is bonded in a 7-coordinate geometry to four equivalent Cu and three Si atoms. All Hf–Cu bond lengths are 2.74 Å. There are one shorter (2.71 Å) and two longer (2.89 Å) Hf–Si bond lengths. In the fourth Hf site, Hf is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Hf–Si bond distances ranging from 2.72–2.93 Å. Cu is bonded in a 9-coordinate geometry to seven Hf and two equivalent Si atoms. Both Cu–Si bond lengths are 2.38 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Hf and two equivalent Si atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Hf and two equivalent Si atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to seven Hf and two equivalent Cu atoms.
DOI: 10.17188/1731911
title: Materials Data on CeP3O14 by Materials Project

description: Ce(PO4)3O2 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Ce(PO4)3 framework. In the Ce(PO4)3 framework, Ce is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ce–O bond distances ranging from 2.21–2.41 Å. There are three inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the third P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.61 Å) P–O bond length. There are twelve inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Ce and one P atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ce and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ce and one P atom. In the sixth O site, O is bonded in a distorted water-like geometry to one Ce and one O atom. The O–O bond length is 1.56 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Ce and one P atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one P atom.
DOI: 10.17188/1731912
title: Materials Data on V3O7 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: 10.17188/1731913
title: Materials Data on Rb2NbCuSe2 by Materials Project

description: Rb2NbCuSe2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2NbCuSe2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 4-coordinate geometry to one Cu and three equivalent Se atoms. The Rb–Cu bond length is 3.44 Å. There are a spread of Rb–Se bond distances ranging from 3.33–3.71 Å. Nb is bonded in a 4-coordinate geometry to four equivalent Se atoms. There are two shorter (2.58 Å) and two longer (2.90 Å) Nb–Se bond lengths. Cu is bonded in a distorted linear geometry to two equivalent Rb and two equivalent Se atoms. Both Cu–Se bond lengths are 2.28 Å. Se is bonded in a 6-coordinate geometry to three equivalent Rb, two equivalent Nb, and one Cu atom.