cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1753113
title: Materials Data on La4B2N5 by Materials Project

description: La4B2N5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La+2.25+ sites. In the first La+2.25+ site, La+2.25+ is bonded to seven N3- atoms to form distorted LaN7 pentagonal bipyramids that share corners with two equivalent LaN7 pentagonal bipyramids, corners with four equivalent LaN6 pentagonal pyramids, edges with three equivalent LaN7 pentagonal bipyramids, edges with six equivalent LaN6 pentagonal pyramids, and faces with two equivalent LaN7 pentagonal bipyramids. There are a spread of La–N bond distances ranging from 2.47–2.75 Å. In the second La+2.25+ site, La+2.25+ is bonded to six N3- atoms to form distorted LaN6 pentagonal pyramids that share corners with four equivalent LaN7 pentagonal bipyramids, a cornercorner with one LaN6 pentagonal pyramid, edges with six equivalent LaN7 pentagonal bipyramids, and edges with four equivalent LaN6 pentagonal pyramids. There are a spread of La–N bond distances ranging from 2.52–2.66 Å. B3+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.48 Å) and one longer (1.49 Å) B–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five La+2.25+ and one B3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five La+2.25+ and one B3+ atom. In the third N3- site, N3- is bonded to six La+2.25+ atoms to form edge-sharing NLa6 octahedra.
DOI: 10.17188/1753114
title: Materials Data on Ti2AgMo by Materials Project

description: Ti2MoAg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ti2MoAg ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to one Mo and one Ag atom. The Ti–Mo bond length is 2.21 Å. The Ti–Ag bond length is 2.77 Å. Mo is bonded in a linear geometry to two equivalent Ti atoms. Ag is bonded in a linear geometry to two equivalent Ti atoms.
DOI: 10.17188/1753117
title: Materials Data on KEu3 by Materials Project

description: KEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to fourteen Eu atoms. There are eight shorter (4.04 Å) and six longer (4.67 Å) K–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent Eu atoms. All Eu–Eu bond lengths are 4.04 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to six equivalent K and eight equivalent Eu atoms.
DOI: 10.17188/1753118
title: Materials Data on Li3Mn2CoO6 by Materials Project

description: Li3Mn2CoO6 is beta Polonium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four equivalent MnO6 octahedra, edges with three equivalent MnO6 octahedra, edges with three equivalent CoO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Li–O bond distances ranging from 2.10–2.23 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four equivalent MnO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two shorter (2.04 Å) and four longer (2.18 Å) Li–O bond lengths. Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six LiO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Mn–O bond distances ranging from 1.92–2.07 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–9°. There are two shorter (2.11 Å) and four longer (2.12 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+, two equivalent Mn+2.50+, and one Co4+ atom to form a mixture of edge and corner-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O2- site, O2- is bonded to three Li1+ and three equivalent Mn+2.50+ atoms to form a mixture of edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third O2- site, O2- is bonded to three equivalent Li1+, one Mn+2.50+, and two equivalent Co4+ atoms to form a mixture of edge and corner-sharing OLi3MnCo2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°.
DOI: 10.17188/1753119
title: Materials Data on Lu(Mo3Se4)2 by Materials Project

description: Lu(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Lu3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.76 Å) and six longer (3.09 Å) Lu–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 2.54–2.74 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Lu3+ and three equivalent Mo+2.17+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Lu3+ and four equivalent Mo+2.17+ atoms.
DOI: 10.17188/1753120
title: Materials Data on LiMn2OF5 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: 10.17188/1753121
title: Materials Data on PrN(ClO)4 by Materials Project

description: PrN(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two PrN(OCl)4 ribbons oriented in the (1, 0, 0) direction. Pr is bonded in a 6-coordinate geometry to four O and two equivalent Cl atoms. There are two shorter (2.36 Å) and two longer (2.75 Å) Pr–O bond lengths. Both Pr–Cl bond lengths are 2.68 Å. N is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both N–O bond lengths are 1.22 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.61 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one N atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Pr atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1753123
title: Materials Data on IrC2 by Materials Project

description: IrC2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ir4+ is bonded in a 8-coordinate geometry to eight equivalent C2- atoms. All Ir–C bond lengths are 2.26 Å. C2- is bonded in a 5-coordinate geometry to four equivalent Ir4+ and one C2- atom. The C–C bond length is 1.46 Å.
DOI: 10.17188/1753124
title: Materials Data on PdC9N3Cl5 by Materials Project

description: PdC6(NCl2)2ClC1C2N crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 2-chloro-1-methylaziridine molecules and four PdC6(NCl2)2 clusters. In each PdC6(NCl2)2 cluster, Pd2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are two shorter (2.30 Å) and two longer (2.42 Å) Pd–Cl bond lengths. There are three inequivalent C+1.33+ sites. In the first 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 second C+1.33+ site, C+1.33+ is bonded in a distorted linear 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 1.29 Å. In the third C+1.33+ site, C+1.33+ is bonded in a distorted single-bond geometry to one C+1.33+ and one Cl1- atom. The C–Cl bond length is 1.63 Å. N3- is bonded in a linear geometry to two C+1.33+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pd2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pd2+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Pd2+ and one C+1.33+ atom.
DOI: 10.17188/1753126
title: Materials Data on Y3H by Materials Project

description: Y3H crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of two Y3H sheets oriented in the (0, 0, 1) direction. there are four inequivalent Y sites. In the first Y site, Y is bonded in a single-bond geometry to two equivalent Y and one H atom. Both Y–Y bond lengths are 3.51 Å. The Y–H bond length is 2.19 Å. In the second Y site, Y is bonded in a linear geometry to four equivalent Y and two equivalent H atoms. There are two shorter (3.65 Å) and two longer (3.70 Å) Y–Y bond lengths. Both Y–H bond lengths are 2.26 Å. In the third Y site, Y is bonded in a bent 120 degrees geometry to one Y and two equivalent H atoms. The Y–Y bond length is 3.61 Å. Both Y–H bond lengths are 2.20 Å. In the fourth Y site, Y is bonded to twelve Y atoms to form YY12 cuboctahedra that share corners with six equivalent YY12 cuboctahedra, edges with two equivalent YY12 cuboctahedra, edges with eight equivalent HY4 tetrahedra, and faces with two equivalent YY12 cuboctahedra. Both Y–Y bond lengths are 3.67 Å. H is bonded to four Y atoms to form HY4 tetrahedra that share corners with three equivalent HY4 tetrahedra and edges with four equivalent YY12 cuboctahedra.
DOI: 10.17188/1753127
title: Materials Data on Mo2N5Cl9O by Materials Project

description: Mo2N5OCl9 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to five Cl1- atoms to form corner-sharing MoCl5 square pyramids. There are four shorter (2.35 Å) and one longer (2.40 Å) Mo–Cl bond lengths. In the second Mo6+ site, Mo6+ is bonded to five Cl1- atoms to form distorted corner-sharing MoCl5 trigonal bipyramids. There are a spread of Mo–Cl bond distances ranging from 2.27–2.71 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a 5-coordinate geometry to one O2- and four Cl1- atoms. The N–O bond length is 3.36 Å. There are a spread of N–Cl bond distances ranging from 3.43–3.69 Å. In the second N+0.20- site, N+0.20- is bonded in a 1-coordinate geometry to one O2- and eight Cl1- atoms. The N–O bond length is 3.04 Å. There are a spread of N–Cl bond distances ranging from 3.26–3.77 Å. In the third N+0.20- site, N+0.20- is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of N–Cl bond distances ranging from 3.26–3.59 Å. O2- is bonded in a single-bond geometry to three N+0.20- and one Cl1- atom. The O–Cl bond length is 1.54 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo6+ and four N+0.20- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo6+ and three N+0.20- atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo6+ and four N+0.20- atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Mo6+ and four N+0.20- atoms. In the fifth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Mo6+, four N+0.20-, and one O2- atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo6+ and five N+0.20- atoms. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Mo6+ and three N+0.20- atoms.
DOI: 10.17188/1753129
title: Materials Data on LiCoPO4F 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: 10.17188/1753130
title: Materials Data on LiMnPH2O5 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: 10.17188/1753131
title: Materials Data on Si7PdN10 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: 10.17188/1753132
title: Materials Data on Cr2O3 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: 10.17188/1753133
title: Materials Data on Ba2AlFe2F11 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: 10.17188/1753135
title: Materials Data on AlGeMo by Materials Project

description: MoAlGe is Titanium Disilicide-derived structured and crystallizes in the trigonal P3_212 space group. The structure is three-dimensional. Mo is bonded in a 10-coordinate geometry to five equivalent Al and five equivalent Ge atoms. There are a spread of Mo–Al bond distances ranging from 2.65–2.82 Å. There are a spread of Mo–Ge bond distances ranging from 2.65–2.81 Å. Al is bonded in a distorted q6 geometry to five equivalent Mo and five equivalent Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.64–2.82 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Mo and five equivalent Al atoms.
DOI: 10.17188/1753136
title: Materials Data on CaLaPd2 by Materials Project

description: CaLaPd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaLaPd2 ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Pd atoms. Both Ca–Pd bond lengths are 3.06 Å. La is bonded in a linear geometry to two equivalent Pd atoms. Both La–Pd bond lengths are 2.42 Å. Pd is bonded in a linear geometry to one Ca and one La atom.
DOI: 10.17188/1753137
title: Materials Data on Nd3Hf by Materials Project

description: Nd3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Nd and four equivalent Hf atoms to form NdNd8Hf4 cuboctahedra that share corners with twelve equivalent NdNd8Hf4 cuboctahedra, edges with eight equivalent HfNd12 cuboctahedra, edges with sixteen NdNd8Hf4 cuboctahedra, faces with four equivalent HfNd12 cuboctahedra, and faces with fourteen NdNd8Hf4 cuboctahedra. There are four shorter (3.53 Å) and four longer (3.54 Å) Nd–Nd bond lengths. All Nd–Hf bond lengths are 3.53 Å. In the second Nd site, Nd is bonded to eight equivalent Nd and four equivalent Hf atoms to form NdNd8Hf4 cuboctahedra that share corners with four equivalent NdNd8Hf4 cuboctahedra, corners with eight equivalent HfNd12 cuboctahedra, edges with twenty-four NdNd8Hf4 cuboctahedra, faces with six equivalent HfNd12 cuboctahedra, and faces with twelve NdNd8Hf4 cuboctahedra. All Nd–Hf bond lengths are 3.54 Å. Hf is bonded to twelve Nd atoms to form HfNd12 cuboctahedra that share corners with four equivalent HfNd12 cuboctahedra, corners with eight equivalent NdNd8Hf4 cuboctahedra, edges with eight equivalent HfNd12 cuboctahedra, edges with sixteen equivalent NdNd8Hf4 cuboctahedra, faces with four equivalent HfNd12 cuboctahedra, and faces with fourteen NdNd8Hf4 cuboctahedra.
DOI: 10.17188/1753138
title: Materials Data on Ta2TiMo by Materials Project

description: TiTa2Mo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiTa2Mo ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Ta atoms. Both Ti–Ta bond lengths are 2.37 Å. Ta is bonded in a linear geometry to one Ti and one Mo atom. The Ta–Mo bond length is 2.30 Å. Mo is bonded in a linear geometry to two equivalent Ta atoms.
DOI: 10.17188/1753139
title: Materials Data on Ce10Si5Ni by Materials Project

description: Ce10NiSi5 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded to one Ni and five Si atoms to form corner-sharing CeSi5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–58°. The Ce–Ni bond length is 3.10 Å. There are a spread of Ce–Si bond distances ranging from 3.08–3.21 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to one Ni and four Si atoms. The Ce–Ni bond length is 3.03 Å. There are two shorter (3.06 Å) and two longer (3.07 Å) Ce–Si bond lengths. In the third Ce site, Ce is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Ce–Si bond distances ranging from 3.01–3.07 Å. In the fourth Ce site, Ce is bonded in a 5-coordinate geometry to one Ni and four Si atoms. The Ce–Ni bond length is 3.02 Å. There are a spread of Ce–Si bond distances ranging from 3.00–3.09 Å. Ni is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Ni–Si bond length is 2.47 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a distorted q6 geometry to ten Ce atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Ni atom. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Si–Si bond length is 2.50 Å.
DOI: 10.17188/1753140
title: Materials Data on LiCoC8(N2O3)4 by Materials Project

description: LiCo(NO2)6(C)2(C3N)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four 1-azatricyclo[1.1.0.0^{2,4}]butane molecules; four methane molecules; and two LiCo(NO2)6 ribbons oriented in the (0, 0, 1) direction. In each LiCo(NO2)6 ribbon, Li1+ is bonded in an octahedral geometry to six O2- atoms. All Li–O bond lengths are 2.06 Å. Co3+ is bonded in an octahedral geometry to six equivalent N+1.50- atoms. All Co–N bond lengths are 2.03 Å. N+1.50- is bonded in a trigonal planar geometry to one Co3+ and two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+1.50- atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+1.50- atom. The O–N bond length is 1.24 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one N+1.50- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N+1.50- atom. The O–N bond length is 1.22 Å.
DOI: 10.17188/1753141
title: Materials Data on Cd5(NO8)2 by Materials Project

description: Cd5(NO8)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Cd5(NO8)2 sheets oriented in the (1, 0, 0) direction. there are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted hexagonal planar geometry to six O atoms. There are two shorter (2.19 Å) and four longer (2.32 Å) Cd–O bond lengths. In the second Cd site, Cd is bonded to six O atoms to form a mixture of distorted edge and corner-sharing CdO6 octahedra. The corner-sharing octahedra tilt angles range from 57–69°. There are a spread of Cd–O bond distances ranging from 2.21–2.51 Å. In the third Cd site, Cd is bonded to six O atoms to form distorted CdO6 octahedra that share corners with four equivalent CdO6 octahedra and a cornercorner with one OCd3O tetrahedra. The corner-sharing octahedra tilt angles range from 57–69°. There are a spread of Cd–O bond distances ranging from 2.17–2.57 Å. N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. There are six inequivalent O sites. In the first O site, O is bonded to three Cd and one O atom to form OCd3O tetrahedra that share a cornercorner with one CdO6 octahedra and an edgeedge with one OCd3O tetrahedra. The corner-sharing octahedral tilt angles are 67°. The O–O bond length is 1.31 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to three Cd atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Cd atoms. In the fourth O site, O is bonded in an L-shaped geometry to one Cd and one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Cd and one O atom.
DOI: 10.17188/1753143
title: Materials Data on LiVCSO7 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: 10.17188/1753144
title: Materials Data on CrPO4 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: 10.17188/1753145
title: Materials Data on Eu3Ti by Materials Project

description: Eu3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu is bonded to eight equivalent Eu and four equivalent Ti atoms to form EuEu8Ti4 cuboctahedra that share corners with twelve equivalent EuEu8Ti4 cuboctahedra, edges with eight equivalent TiEu12 cuboctahedra, edges with sixteen equivalent EuEu8Ti4 cuboctahedra, faces with four equivalent TiEu12 cuboctahedra, and faces with fourteen equivalent EuEu8Ti4 cuboctahedra. All Eu–Eu bond lengths are 3.65 Å. All Eu–Ti bond lengths are 3.65 Å. Ti is bonded to twelve equivalent Eu atoms to form TiEu12 cuboctahedra that share corners with twelve equivalent TiEu12 cuboctahedra, edges with twenty-four equivalent EuEu8Ti4 cuboctahedra, faces with six equivalent TiEu12 cuboctahedra, and faces with twelve equivalent EuEu8Ti4 cuboctahedra.
DOI: 10.17188/1753146
title: Materials Data on ReNO4 by Materials Project

description: ReNO4 crystallizes in the tetragonal I4_1/a space group. The structure is two-dimensional and consists of four ReNO4 sheets oriented in the (0, 0, 1) direction. Re3+ is bonded to four equivalent O2- atoms to form ReO4 tetrahedra that share corners with four equivalent NO4 tetrahedra. All Re–O bond lengths are 1.76 Å. N5+ is bonded to four equivalent O2- atoms to form distorted NO4 tetrahedra that share corners with four equivalent ReO4 tetrahedra. All N–O bond lengths are 2.15 Å. O2- is bonded in a distorted single-bond geometry to one Re3+ and one N5+ atom.