cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1207585
title: Materials Data on Tb2SmS4 by Materials Project

description: Tb2SmS4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Tb3+ is bonded to eight equivalent S2- atoms to form distorted TbS8 hexagonal bipyramids that share corners with four equivalent TbS8 hexagonal bipyramids, corners with four equivalent SmS8 hexagonal bipyramids, edges with four equivalent TbS8 hexagonal bipyramids, faces with four equivalent TbS8 hexagonal bipyramids, and faces with four equivalent SmS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.79–3.00 Å. Sm2+ is bonded to eight equivalent S2- atoms to form distorted SmS8 hexagonal bipyramids that share corners with eight equivalent TbS8 hexagonal bipyramids, edges with four equivalent SmS8 hexagonal bipyramids, and faces with eight equivalent TbS8 hexagonal bipyramids. There are four shorter (2.83 Å) and four longer (3.00 Å) Sm–S bond lengths. S2- is bonded to four equivalent Tb3+ and two equivalent Sm2+ atoms to form a mixture of distorted edge, face, and corner-sharing STb4Sm2 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.
DOI: 10.17188/1207586
title: Materials Data on Ho(SiRh)2 by Materials Project

description: HoRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Ho–Rh bond lengths are 3.22 Å. All Ho–Si bond lengths are 3.12 Å. Rh is bonded to four equivalent Ho and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhHo4Si4 tetrahedra. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.42 Å.
DOI: 10.17188/1207587
title: Materials Data on Ce2Y2O7 by Materials Project

description: Ce2Y2O7 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.64 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.44 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are two shorter (2.28 Å) and four longer (2.35 Å) Y–O bond lengths. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.20–2.36 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ce4+ and three Y3+ atoms to form distorted OCeY3 tetrahedra that share corners with fourteen OCeY3 tetrahedra and edges with four OCe2Y2 tetrahedra. In the second O2- site, O2- is bonded to four Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCeY3 tetrahedra and edges with six OCe2Y2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Y3+ atoms to form OCe2Y2 tetrahedra that share corners with fourteen OCeY3 tetrahedra and edges with five OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to three Ce4+ and one Y3+ atom to form a mixture of corner and edge-sharing OCe3Y tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Y3+ atoms to form OCe2Y2 tetrahedra that share corners with fourteen OCe2Y2 tetrahedra and edges with five OCeY3 tetrahedra.
DOI: 10.17188/1207588
title: Materials Data on Mg(GaO2)2 by Materials Project

description: MgGa2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent GaO4 tetrahedra, edges with two equivalent MgO6 octahedra, and edges with four equivalent GaO6 octahedra. There are four shorter (2.06 Å) and two longer (2.08 Å) Mg–O bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with six equivalent MgO6 octahedra and corners with six equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There is two shorter (1.88 Å) and two longer (1.92 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO4 tetrahedra, edges with two equivalent GaO6 octahedra, and edges with four equivalent MgO6 octahedra. There are two shorter (1.99 Å) and four longer (2.04 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg2+ and two Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Ga3+ atoms.
DOI: 10.17188/1207589
title: Materials Data on Y(SiIr)2 by Materials Project

description: YIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.15 Å) and four longer (3.26 Å) Y–Ir bond lengths. There are four shorter (3.17 Å) and four longer (3.18 Å) Y–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Y and five Si atoms. There are one shorter (2.37 Å) and four longer (2.43 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent Y and four equivalent Si atoms to form distorted IrY4Si4 tetrahedra that share corners with twelve equivalent SiY4Ir4 tetrahedra, edges with two equivalent SiY4Ir4 tetrahedra, edges with four equivalent IrY4Si4 tetrahedra, and faces with four equivalent IrY4Si4 tetrahedra. All Ir–Si bond lengths are 2.44 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Y and four equivalent Ir atoms to form distorted SiY4Ir4 tetrahedra that share corners with twelve equivalent IrY4Si4 tetrahedra, edges with two equivalent IrY4Si4 tetrahedra, edges with four equivalent SiY4Ir4 tetrahedra, and faces with four equivalent SiY4Ir4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Y and five Ir atoms.
DOI: 10.5281/zenodo.4478981
title: Präzi: From Package-based to Call-based Dependency Networks

description: The data is originally derived from commit 6c550c8 of https://github.com/rust-lang/crates.io-index. The dataset includes the following files: releases.csv: extracted package releases. docsrs.csv: build status and compile toolchain of package releases scrapped from Docs.rs. rustcg-corpus.tar.xz: call graphs and type hierarchies corpus of crates.io in JSON format. Constructed using rust-callgraphs. CDN.tar.xz: static call-based dependency network (CDN) and package-based dependency network (PDN) in JSON format.
DOI: 10.17188/1207590
title: Materials Data on SmPS4 by Materials Project

description: SmPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.89 Å) and four longer (3.03 Å) Sm–S bond lengths. In the second Sm3+ site, Sm3+ is bonded to eight S2- atoms to form distorted SmS8 hexagonal bipyramids that share edges with four equivalent PS4 tetrahedra. There are four shorter (2.94 Å) and four longer (2.97 Å) Sm–S bond lengths. P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two equivalent SmS8 hexagonal bipyramids. All P–S bond lengths are 2.05 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two Sm3+ and one P5+ atom. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two Sm3+ and one P5+ atom.
DOI: 10.5281/zenodo.4471361
title: Präzi: From Package-based to Call-based Dependency Networks

description: The data is originally derived from commit 6c550c8 of https://github.com/rust-lang/crates.io-index. The dataset includes the following files: releases.csv: extracted package releases. docsrs.csv: build status and compile toolchain of package releases scrapped from Docs.rs. rustcg-corpus.tar.xz: call graphs and type hierarchies corpus of crates.io in JSON format. Constructed using rust-callgraphs. CDN.tar.xz: static call-based dependency network (CDN) and package-based dependency network (PDN) in JSON format.
DOI: 10.17188/1207592
title: Materials Data on Eu(YS2)2 by Materials Project

description: Eu(YS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Eu2+ is bonded to eight equivalent S2- atoms to form distorted edge-sharing EuS8 hexagonal bipyramids. There are four shorter (2.87 Å) and four longer (3.07 Å) Eu–S bond lengths. Y3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–3.07 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Eu2+ and four equivalent Y3+ atoms.
DOI: 10.17188/1207593
title: Materials Data on Ba3Re2O9 by Materials Project

description: Ba3Re2O9 crystallizes in the trigonal R-3m 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 six equivalent BaO12 cuboctahedra, faces with eight equivalent BaO12 cuboctahedra, and faces with six equivalent ReO6 octahedra. There are six shorter (2.81 Å) and six longer (2.89 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with nine equivalent BaO12 cuboctahedra, corners with three equivalent ReO6 octahedra, faces with seven BaO12 cuboctahedra, and faces with four equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Ba–O bond distances ranging from 2.86–3.07 Å. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent ReO6 octahedra, and faces with seven BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is three shorter (1.86 Å) and three longer (2.07 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Re6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one Re6+ atom.
DOI: 10.17188/1207594
title: Materials Data on PNO by Materials Project

description: PON1 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. P5+ is bonded to two equivalent N3- and two equivalent O2- atoms to form corner-sharing PN2O2 tetrahedra. Both P–N bond lengths are 1.57 Å. There is one shorter (1.60 Å) and one longer (1.62 Å) P–O bond length. N3- is bonded in a distorted bent 150 degrees geometry to two equivalent P5+ atoms. O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.
DOI: 10.17188/1207595
title: Materials Data on NaAlSi4 by Materials Project

description: NaAlSi4 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Na is bonded in a 1-coordinate geometry to nine Si atoms. There are a spread of Na–Si bond distances ranging from 2.70–3.09 Å. Al is bonded in a distorted single-bond geometry to five Si atoms. There are one shorter (2.66 Å) and four longer (3.02 Å) Al–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to two equivalent Na, two equivalent Al, and four Si atoms. There are two shorter (2.48 Å) and two longer (2.52 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a distorted single-bond geometry to one Na and four equivalent Si atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Na, one Al, and four equivalent Si atoms.
DOI: 10.17188/1207596
title: Materials Data on Tl by Materials Project

description: Tl is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tl is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Tl–Tl bond lengths are 3.43 Å.
DOI: 10.17188/1207599
title: Materials Data on AlBr4 by Materials Project

description: AlBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Fm-3c space group. The structure is zero-dimensional and consists of twenty-four AlBr4 clusters. Al is bonded in a tetrahedral geometry to four equivalent Br atoms. All Al–Br bond lengths are 2.32 Å. Br is bonded in a single-bond geometry to one Al atom.
DOI: 10.17188/1207600
title: Materials Data on NdNbO4 by Materials Project

description: NdNbO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.49 Å. Nb5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.92 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one Nb5+ atom.
DOI: 10.17188/1207601
title: Materials Data on MgCr2O4 by Materials Project

description: MgCr2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent CrO4 tetrahedra, edges with two equivalent MgO6 octahedra, and edges with four equivalent CrO6 octahedra. There are two shorter (2.08 Å) and four longer (2.10 Å) Mg–O bond lengths. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent MgO6 octahedra and corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 53–66°. There is two shorter (1.91 Å) and two longer (2.00 Å) Cr–O bond length. In the second Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO4 tetrahedra, edges with two equivalent CrO6 octahedra, and edges with four equivalent MgO6 octahedra. All Cr–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two Cr3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Cr3+ atoms.
DOI: 10.17188/1207602
title: Materials Data on NbO2F by Materials Project

description: NbO2F crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to four O2- and two equivalent F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 19–29°. There is two shorter (1.96 Å) and two longer (1.99 Å) Nb–O bond length. Both Nb–F bond lengths are 2.03 Å. In the second Nb5+ site, Nb5+ is bonded to four O2- and two equivalent F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 19–29°. There is two shorter (1.96 Å) and two longer (2.00 Å) Nb–O bond length. Both Nb–F bond lengths are 2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. F1- is bonded in a bent 150 degrees geometry to two Nb5+ atoms.
DOI: 10.17188/1207603
title: Materials Data on Y2U3O11 by Materials Project

description: U3Y2O11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded in a 8-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.19–2.64 Å. In the second U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.24–2.72 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.38 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one U+5.33+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY3U tetrahedra. In the second O2- site, O2- is bonded to three U+5.33+, one Y3+, and one O2- atom to form OYU3O tetrahedra that share corners with fourteen OY3U tetrahedra, edges with six OY3U tetrahedra, and faces with three OYU3O tetrahedra. The O–O bond length is 2.37 Å. In the third O2- site, O2- is bonded to four U+5.33+ and two equivalent O2- atoms to form distorted OU4O2 tetrahedra that share corners with twelve OY3U tetrahedra, edges with seven OYU3O tetrahedra, and faces with five OYU3O tetrahedra. Both O–O bond lengths are 2.43 Å. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to six U+5.33+ and eight O2- atoms.
DOI: 10.17188/1207604
title: Materials Data on Sr(NdSe2)2 by Materials Project

description: Sr(NdSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Se2- atoms to form distorted SrSe8 hexagonal bipyramids that share corners with eight equivalent NdSe8 hexagonal bipyramids, edges with four equivalent SrSe8 hexagonal bipyramids, and faces with eight equivalent NdSe8 hexagonal bipyramids. There are four shorter (3.09 Å) and four longer (3.28 Å) Sr–Se bond lengths. Nd3+ is bonded to eight equivalent Se2- atoms to form distorted NdSe8 hexagonal bipyramids that share corners with four equivalent SrSe8 hexagonal bipyramids, corners with four equivalent NdSe8 hexagonal bipyramids, edges with four equivalent NdSe8 hexagonal bipyramids, faces with four equivalent SrSe8 hexagonal bipyramids, and faces with four equivalent NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.99–3.25 Å. Se2- is bonded to two equivalent Sr2+ and four equivalent Nd3+ atoms to form a mixture of distorted edge, corner, and face-sharing SeSr2Nd4 octahedra. The corner-sharing octahedra tilt angles range from 16–51°.
DOI: 10.17188/1207605
title: Materials Data on Mg2GeO4 by Materials Project

description: Mg2GeO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with six equivalent MgO6 octahedra. All Mg–O bond lengths are 2.09 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ge–O bond lengths are 1.81 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Mg2+ and one Ge4+ atom.
DOI: 10.17188/1207606
title: Materials Data on CsU2F9 by Materials Project

description: CsU2F9 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one CsU2F9 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to four F1- atoms. There are a spread of Cs–F bond distances ranging from 2.00–3.12 Å. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to seven F1- atoms. There are a spread of Cs–F bond distances ranging from 2.08–3.19 Å. There are four inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 1-coordinate geometry to three F1- atoms. There are a spread of U–F bond distances ranging from 1.70–2.34 Å. In the second U4+ site, U4+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of U–F bond distances ranging from 2.01–2.75 Å. In the third U4+ site, U4+ is bonded in a distorted single-bond geometry to five F1- atoms. There are a spread of U–F bond distances ranging from 1.35–2.64 Å. In the fourth U4+ site, U4+ is bonded in a 2-coordinate geometry to three F1- atoms. There are a spread of U–F bond distances ranging from 1.41–2.28 Å. There are eighteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one U4+ and one F1- atom. The F–F bond length is 1.51 Å. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two U4+ and one F1- atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ atoms. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to one Cs1+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one U4+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+, one U4+, and one F1- atom. The F–F bond length is 2.10 Å. In the eighth F1- site, F1- is bonded in a 1-coordinate geometry to one Cs1+ and one U4+ atom. In the ninth F1- site, F1- is bonded in a distorted single-bond geometry to one U4+ atom. In the tenth F1- site, F1- is bonded in a 1-coordinate geometry to one Cs1+, two U4+, and three F1- atoms. There are one shorter (2.21 Å) and one longer (2.70 Å) F–F bond lengths. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one U4+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one U4+ atom. In the thirteenth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ atom. In the fourteenth F1- site, F1- is bonded in a 1-coordinate geometry to one Cs1+ and one F1- atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one U4+ and one F1- atom. In the sixteenth F1- site, F1- is bonded in a 2-coordinate geometry to two U4+ and one F1- atom. The F–F bond length is 1.53 Å. In the seventeenth F1- site, F1- is bonded in a 1-coordinate geometry to one Cs1+, two U4+, and one F1- atom. In the eighteenth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ atom.
DOI: 10.17188/1207607
title: Materials Data on Er(SiIr)2 by Materials Project

description: Er(IrSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Er–Ir bond lengths are 3.21 Å. All Er–Si bond lengths are 3.12 Å. Ir is bonded to four equivalent Er and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrEr4Si4 tetrahedra. All Ir–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.40 Å.