cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1715378
title: Materials Data on Mo3P2PbO14 by Materials Project

description: Mo3PbP2O14 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Mo+5.33+ sites. In the first Mo+5.33+ site, Mo+5.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.45 Å. In the second Mo+5.33+ site, Mo+5.33+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with three PO4 tetrahedra and a cornercorner with one MoO5 trigonal bipyramid. There are a spread of Mo–O bond distances ranging from 1.73–2.32 Å. In the third Mo+5.33+ site, Mo+5.33+ is bonded to five O2- atoms to form MoO5 trigonal bipyramids that share a cornercorner with one MoO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Mo–O bond distances ranging from 1.76–2.04 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–2.92 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MoO6 octahedra and a cornercorner with one MoO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent MoO6 octahedra and a cornercorner with one MoO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 38°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Mo+5.33+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo+5.33+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo+5.33+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo+5.33+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Mo+5.33+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Mo+5.33+, one Pb2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo+5.33+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo+5.33+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo+5.33+ and one Pb2+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo+5.33+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to one Mo+5.33+, one Pb2+, and one P5+ atom.
DOI: 10.17188/1715379
title: Materials Data on CeUZn17 by Materials Project

description: UCeZn17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of U–Zn bond distances ranging from 3.10–3.49 Å. Ce is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.13–3.47 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to one U, one Ce, and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–3.00 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent U, one Ce, and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.85 Å. In the third Zn site, Zn is bonded to one U, two equivalent Ce, and nine Zn atoms to form distorted ZnCe2UZn9 cuboctahedra that share corners with seven ZnCe2UZn9 cuboctahedra, edges with seven ZnCeUZn10 cuboctahedra, and faces with seven ZnCe2UZn9 cuboctahedra. There are two shorter (2.64 Å) and one longer (2.88 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to one U, one Ce, and ten Zn atoms to form distorted ZnCeUZn10 cuboctahedra that share corners with nine ZnCeUZn10 cuboctahedra, edges with three equivalent ZnCe2UZn9 cuboctahedra, and faces with seven ZnCe2UZn9 cuboctahedra. There are one shorter (2.72 Å) and one longer (2.75 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded in a 1-coordinate geometry to one Ce and thirteen Zn atoms. The Zn–Zn bond length is 2.70 Å. In the sixth Zn site, Zn is bonded in a 8-coordinate geometry to one U and thirteen Zn atoms.
DOI: 10.17188/1715380
title: Materials Data on TmMn4(CuO4)3 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: 10.17188/1715381
title: Materials Data on CaCr(SiO3)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: 10.17188/1715382
title: Materials Data on GaCuSeS by Materials Project

description: CuGaSSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Cu1+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form CuSe2S2 tetrahedra that share corners with four equivalent CuSe2S2 tetrahedra and corners with eight equivalent GaSe2S2 tetrahedra. Both Cu–Se bond lengths are 2.41 Å. Both Cu–S bond lengths are 2.30 Å. Ga3+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form GaSe2S2 tetrahedra that share corners with four equivalent GaSe2S2 tetrahedra and corners with eight equivalent CuSe2S2 tetrahedra. Both Ga–Se bond lengths are 2.42 Å. Both Ga–S bond lengths are 2.33 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form SeGa2Cu2 tetrahedra that share corners with four equivalent SeGa2Cu2 tetrahedra and corners with eight equivalent SGa2Cu2 tetrahedra. S2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form SGa2Cu2 tetrahedra that share corners with four equivalent SGa2Cu2 tetrahedra and corners with eight equivalent SeGa2Cu2 tetrahedra.
DOI: 10.17188/1715383
title: Materials Data on Li6MnV3(PO4)6 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: 10.17188/1715384
title: Materials Data on Li3Co2(NiO4)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: 10.17188/1715385
title: Materials Data on B2O3 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: 10.17188/1715386
title: Materials Data on Cs2Mg2(WO4)3 by Materials Project

description: Cs2Mg2(WO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.20–3.63 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.24–3.34 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent WO4 tetrahedra. All Mg–O bond lengths are 2.11 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent WO4 tetrahedra. There are three shorter (2.10 Å) and three longer (2.13 Å) Mg–O bond lengths. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four MgO6 octahedra. The corner-sharing octahedra tilt angles range from 10–47°. There is one shorter (1.81 Å) and three longer (1.82 Å) W–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two Cs1+, one Mg2+, and one W6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Cs1+, one Mg2+, and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Mg2+, and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Mg2+, and one W6+ atom.
DOI: 10.17188/1715387
title: Materials Data on Nb3(CuSe3)2 by Materials Project

description: Nb3(CuSe3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Nb+3.33+ sites. In the first Nb+3.33+ site, Nb+3.33+ is bonded to six Se2- atoms to form distorted NbSe6 pentagonal pyramids that share corners with six CuSe4 trigonal pyramids, edges with six NbSe6 pentagonal pyramids, and a faceface with one CuSe4 trigonal pyramid. There are a spread of Nb–Se bond distances ranging from 2.59–2.69 Å. In the second Nb+3.33+ site, Nb+3.33+ is bonded to six Se2- atoms to form distorted NbSe6 pentagonal pyramids that share corners with seven CuSe4 trigonal pyramids and edges with six NbSe6 pentagonal pyramids. There are a spread of Nb–Se bond distances ranging from 2.61–2.64 Å. In the third Nb+3.33+ site, Nb+3.33+ is bonded to six Se2- atoms to form distorted NbSe6 pentagonal pyramids that share corners with five CuSe4 trigonal pyramids, edges with six NbSe6 pentagonal pyramids, and a faceface with one CuSe4 trigonal pyramid. There are a spread of Nb–Se bond distances ranging from 2.62–2.69 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form distorted CuSe4 trigonal pyramids that share corners with nine NbSe6 pentagonal pyramids, corners with two equivalent CuSe4 trigonal pyramids, and a faceface with one NbSe6 pentagonal pyramid. There are one shorter (2.37 Å) and three longer (2.43 Å) Cu–Se bond lengths. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form distorted CuSe4 trigonal pyramids that share corners with nine NbSe6 pentagonal pyramids, corners with two equivalent CuSe4 trigonal pyramids, and a faceface with one NbSe6 pentagonal pyramid. There are a spread of Cu–Se bond distances ranging from 2.36–2.43 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Nb+3.33+ and two equivalent Cu1+ atoms. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Nb+3.33+ and one Cu1+ atom. In the third Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Nb+3.33+ and one Cu1+ atom. In the fourth Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to three Nb+3.33+ and one Cu1+ atom. In the fifth Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Nb+3.33+ and one Cu1+ atom. In the sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to three Nb+3.33+ and two equivalent Cu1+ atoms.
DOI: 10.17188/1715388
title: Materials Data on ThFe3Co2 by Materials Project

description: ThFe3Co2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to twelve equivalent Fe and six equivalent Co atoms. All Th–Fe bond lengths are 3.17 Å. All Th–Co bond lengths are 2.83 Å. Fe is bonded to four equivalent Th, four equivalent Fe, and four equivalent Co atoms to form FeTh4Fe4Co4 cuboctahedra that share corners with eight equivalent CoTh3Fe6 cuboctahedra, corners with sixteen equivalent FeTh4Fe4Co4 cuboctahedra, edges with eight equivalent CoTh3Fe6 cuboctahedra, edges with ten equivalent FeTh4Fe4Co4 cuboctahedra, faces with four equivalent CoTh3Fe6 cuboctahedra, and faces with ten equivalent FeTh4Fe4Co4 cuboctahedra. All Fe–Fe bond lengths are 2.45 Å. All Fe–Co bond lengths are 2.46 Å. Co is bonded to three equivalent Th and six equivalent Fe atoms to form distorted CoTh3Fe6 cuboctahedra that share corners with twelve equivalent FeTh4Fe4Co4 cuboctahedra, corners with fifteen equivalent CoTh3Fe6 cuboctahedra, edges with twelve equivalent FeTh4Fe4Co4 cuboctahedra, faces with five equivalent CoTh3Fe6 cuboctahedra, and faces with six equivalent FeTh4Fe4Co4 cuboctahedra.
DOI: 10.17188/1715389
title: Materials Data on Sm(Sn2Rh)2 by Materials Project

description: Sm(RhSn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Sm–Sn bond distances ranging from 3.18–3.22 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.71–2.89 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.72–2.82 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Sm and four Rh atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Sm and three equivalent Rh atoms. In the third Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Sm and three equivalent Rh atoms. In the fourth Sn site, Sn is bonded to four Rh atoms to form a mixture of distorted corner and edge-sharing SnRh4 tetrahedra.
DOI: 10.17188/1715390
title: Materials Data on SrLaNiO4 by Materials Project

description: LaSrNiO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.75 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.77 Å. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ni–O bond distances ranging from 1.93–2.19 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, three equivalent La3+, and one Ni3+ atom to form distorted OSr2La3Ni octahedra that share corners with seventeen OSr2La2Ni2 octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to three equivalent Sr2+, two equivalent La3+, and one Ni3+ atom to form distorted OSr3La2Ni octahedra that share corners with seventeen OSr2La2Ni2 octahedra, edges with eight OSr2La3Ni octahedra, and faces with four equivalent OSr2La2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Ni3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr2La2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 1–55°.
DOI: 10.17188/1715391
title: Materials Data on K2AgSbBr6 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: 10.17188/1715392
title: Materials Data on K2BiI4ClO12 by Materials Project

description: K2Bi(IO3)4Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.40 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to seven O2- and two equivalent Cl1- atoms. There are a spread of K–O bond distances ranging from 2.83–3.36 Å. There are one shorter (3.44 Å) and one longer (3.80 Å) K–Cl bond lengths. Bi3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.96 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one I5+ atom. The O–I bond length is 1.81 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Bi3+, and one I5+ atom. The O–I bond length is 1.86 Å. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Bi3+, and one I5+ atom. The O–I bond length is 1.87 Å. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one I5+ atom. The O–I bond length is 1.80 Å. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and two I5+ atoms. There are one shorter (1.82 Å) and one longer (2.59 Å) O–I bond lengths. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Bi3+ and one I5+ atom. The O–I bond length is 1.86 Å. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Bi3+, and one I5+ atom. The O–I bond length is 1.84 Å. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Bi3+, and one I5+ atom. The O–I bond length is 1.85 Å. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two I5+ atoms. There are one shorter (1.84 Å) and one longer (2.58 Å) O–I bond lengths. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Bi3+, and one I5+ atom. The O–I bond length is 1.88 Å. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi3+ and one I5+ atom. The O–I bond length is 1.90 Å. There are four inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to four O2- and one Cl1- atom. The I–Cl bond length is 3.12 Å. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to four O2- atoms. In the third I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Cl1- atoms. There are one shorter (3.19 Å) and one longer (3.28 Å) I–Cl bond lengths. In the fourth I5+ site, I5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. Cl1- is bonded in a 6-coordinate geometry to two equivalent K1+ and three I5+ atoms.
DOI: 10.17188/1715393
title: Materials Data on V2O5 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: 10.17188/1715394
title: Materials Data on NaNd9(Ge3O13)2 by Materials Project

description: NaNd9(Ge3O13)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.48 Å) and three longer (2.67 Å) Na–O bond lengths. There are five inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.42–2.84 Å. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.86 Å. In the third Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.42–2.93 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.30–2.86 Å. In the fifth Nd3+ site, Nd3+ is bonded to seven O2- atoms to form distorted NdO7 pentagonal bipyramids that share corners with two equivalent NdO7 pentagonal bipyramids, corners with four GeO4 tetrahedra, and an edgeedge with one GeO4 tetrahedra. There are a spread of Nd–O bond distances ranging from 2.33–2.71 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent NdO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent NdO7 pentagonal bipyramids and an edgeedge with one NdO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.73–1.79 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nd3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nd3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Nd3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Nd3+, and one Ge4+ atom.
DOI: 10.17188/1715395
title: Materials Data on ZnOs2(NO2)4 by Materials Project

description: Zn(OsO4)2(N2)2 is Iron carbide-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of sixteen ammonia molecules, eight OsO4 clusters, and four zinc molecules. In each OsO4 cluster, Os5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Os–O bond lengths are 1.73 Å. O2- is bonded in a single-bond geometry to one Os5+ atom.
DOI: 10.17188/1715396
title: Materials Data on AcCu3 by Materials Project

description: AcCu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded in a 12-coordinate geometry to twelve equivalent Cu atoms. There are six shorter (3.21 Å) and six longer (3.37 Å) Ac–Cu bond lengths. Cu is bonded in a 10-coordinate geometry to four equivalent Ac and six equivalent Cu atoms. There are two shorter (2.51 Å) and four longer (2.58 Å) Cu–Cu bond lengths.