cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1752336
title: Materials Data on Ba5P3O12F by Materials Project

description: Ba5P3O12F crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.11 Å. In the second Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Ba–O bond distances ranging from 2.69–2.94 Å. The Ba–F bond length is 2.58 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. All P–O bond lengths are 1.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one P5+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Ba2+ atoms.
DOI: 10.17188/1752337
title: Materials Data on PrMgS3 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: 10.17188/1752338
title: Materials Data on Mg16UAl12 by Materials Project

description: Mg16UAl12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.87–3.20 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one U, and six equivalent Al atoms. The Mg–U bond length is 3.28 Å. All Mg–Al bond lengths are 3.15 Å. U is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All U–Al bond lengths are 3.18 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one U, and three equivalent Al atoms. There are one shorter (2.68 Å) and two longer (2.74 Å) Al–Al bond lengths.
DOI: 10.17188/1752339
title: Materials Data on LiMn(PO4)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: 10.17188/1752340
title: Materials Data on Pr5Bi3 by Materials Project

description: Pr5Bi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Pr–Bi bond lengths are 3.41 Å. In the second Pr site, Pr is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Pr–Bi bond distances ranging from 3.26–3.57 Å. Bi is bonded in a 9-coordinate geometry to nine Pr atoms.
DOI: 10.17188/1752341
title: Materials Data on NaSr2(SnAs)6 by Materials Project

description: NaSr2(SnAs)6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NaSr2(SnAs)6 sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent As3- atoms to form NaAs6 octahedra that share edges with six equivalent SrAs6 octahedra. All Na–As bond lengths are 3.16 Å. Sr2+ is bonded to six equivalent As3- atoms to form SrAs6 octahedra that share edges with three equivalent NaAs6 octahedra and edges with three equivalent SrAs6 octahedra. All Sr–As bond lengths are 3.17 Å. There are two inequivalent Sn+2.17+ sites. In the first Sn+2.17+ site, Sn+2.17+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. There are two shorter (2.78 Å) and one longer (2.79 Å) Sn–As bond lengths. In the second Sn+2.17+ site, Sn+2.17+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.78 Å. As3- is bonded to one Na1+, two equivalent Sr2+, and three Sn+2.17+ atoms to form a mixture of corner and edge-sharing AsNaSr2Sn3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1752342
title: Materials Data on MgSnPt2 by Materials Project

description: MgPt2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgPt2Sn ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded in a linear geometry to two equivalent Pt2- atoms. Both Mg–Pt bond lengths are 2.57 Å. Pt2- is bonded in a linear geometry to one Mg2+ and one Sn2+ atom. The Pt–Sn bond length is 2.45 Å. Sn2+ is bonded in a linear geometry to two equivalent Pt2- atoms.
DOI: 10.17188/1752344
title: Materials Data on Nd2Ga5Cu3 by Materials Project

description: Nd2Cu3Ga5 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to six Cu and ten Ga atoms. There are four shorter (3.28 Å) and two longer (3.36 Å) Nd–Cu bond lengths. There are a spread of Nd–Ga bond distances ranging from 3.24–3.36 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.45 Å. In the second Cu site, Cu is bonded to four equivalent Nd and eight Ga atoms to form distorted CuNd4Ga8 cuboctahedra that share corners with four equivalent CuNd4Ga8 cuboctahedra, faces with four equivalent CuNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Cu4 cuboctahedra. There are four shorter (2.53 Å) and four longer (3.00 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.45 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Nd, two equivalent Cu, and three Ga atoms. There are one shorter (2.50 Å) and two longer (2.53 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Nd, four Cu, and one Ga atom. In the third Ga site, Ga is bonded to four equivalent Nd, four equivalent Cu, and four equivalent Ga atoms to form GaNd4Ga4Cu4 cuboctahedra that share corners with four equivalent GaNd4Ga4Cu4 cuboctahedra, faces with four equivalent CuNd4Ga8 cuboctahedra, and faces with four equivalent GaNd4Ga4Cu4 cuboctahedra.
DOI: 10.17188/1752346
title: Materials Data on NdMgNi4H7 by Materials Project

description: MgNdNi4H7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to six equivalent H atoms to form MgH6 octahedra that share corners with twelve equivalent NiH4 tetrahedra and faces with four equivalent NdH12 cuboctahedra. All Mg–H bond lengths are 1.98 Å. Nd is bonded to twelve equivalent H atoms to form NdH12 cuboctahedra that share corners with twelve equivalent NdH12 cuboctahedra, edges with twelve equivalent NiH4 tetrahedra, and faces with four equivalent MgH6 octahedra. All Nd–H bond lengths are 2.71 Å. Ni is bonded to four H atoms to form NiH4 tetrahedra that share corners with three equivalent MgH6 octahedra, corners with six equivalent NiH4 tetrahedra, and edges with three equivalent NdH12 cuboctahedra. The corner-sharing octahedral tilt angles are 57°. There is three shorter (1.63 Å) and one longer (1.64 Å) Ni–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a distorted trigonal planar geometry to one Mg, two equivalent Nd, and two equivalent Ni atoms. In the second H site, H is bonded in a tetrahedral geometry to four equivalent Ni atoms.
DOI: 10.17188/1752347
title: Materials Data on Li3MnV(PO4)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: 10.17188/1752349
title: Materials Data on EuAu3 by Materials Project

description: EuAu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu3+ is bonded to twelve equivalent Au1- atoms to form a mixture of face and corner-sharing EuAu12 cuboctahedra. There are six shorter (3.20 Å) and six longer (3.27 Å) Eu–Au bond lengths. Au1- is bonded in a 4-coordinate geometry to four equivalent Eu3+ atoms.
DOI: 10.17188/1752350
title: Materials Data on NdErFe14B by Materials Project

description: ErNdFe14B crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to one Er, two equivalent Nd, sixteen Fe, and one B atom. The Er–Er bond length is 3.59 Å. Both Er–Nd bond lengths are 3.76 Å. There are a spread of Er–Fe bond distances ranging from 3.03–3.36 Å. The Er–B bond length is 2.87 Å. Nd is bonded in a 6-coordinate geometry to two equivalent Er, sixteen Fe, and two equivalent B atoms. There are a spread of Nd–Fe bond distances ranging from 3.03–3.22 Å. Both Nd–B bond lengths are 3.28 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted single-bond geometry to one Er, one Nd, seven Fe, and one B atom. There are a spread of Fe–Fe bond distances ranging from 2.44–2.74 Å. The Fe–B bond length is 2.08 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to one Er, one Nd, and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.63–2.80 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Er, one Nd, and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.51 Å. In the fourth Fe site, Fe is bonded in a distorted q6 geometry to one Er, one Nd, and ten Fe atoms. There are one shorter (2.46 Å) and three longer (2.54 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded to two equivalent Er, two equivalent Nd, and eight Fe atoms to form corner-sharing FeNd2Er2Fe8 cuboctahedra. In the sixth Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Nd, four Fe, and two equivalent B atoms. Both Fe–B bond lengths are 2.08 Å. B is bonded in a 6-coordinate geometry to one Er, two equivalent Nd, and six Fe atoms.
DOI: 10.17188/1752351
title: Materials Data on PrZr6(PO4)9 by Materials Project

description: PrZr6(PO4)9 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Pr3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Pr–O bond lengths are 2.49 Å. There are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.07 Å) and three longer (2.13 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.02 Å) and three longer (2.24 Å) Zr–O bond lengths. In the third Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.07 Å) and three longer (2.12 Å) Zr–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 22–44°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There is two shorter (1.53 Å) and two longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Pr3+, one Zr4+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom.
DOI: 10.17188/1752352
title: Materials Data on AlBi3Se2ClO8 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: 10.17188/1752353
title: Materials Data on LiP3W2O13 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: 10.17188/1752354
title: Materials Data on MgGePd2 by Materials Project

description: MgPd2Ge crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgPd2Ge ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Pd atoms. Both Mg–Pd bond lengths are 2.66 Å. Pd is bonded in a linear geometry to one Mg and one Ge atom. The Pd–Ge bond length is 2.28 Å. Ge is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1752357
title: Materials Data on LiCo3NiO8 by Materials Project

description: LiCo3NiO8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with six equivalent CoO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 13–14°. There are four shorter (2.14 Å) and two longer (2.16 Å) Li–O bond lengths. There are two inequivalent Co+3.67+ sites. In the first Co+3.67+ site, Co+3.67+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.91 Å. In the second Co+3.67+ site, Co+3.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 13–14°. There is two shorter (1.97 Å) and four longer (2.01 Å) Co–O bond length. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent LiO6 octahedra and edges with six CoO6 octahedra. There is two shorter (1.87 Å) and four longer (1.88 Å) Ni–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two Co+3.67+, and one Ni4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co+3.67+ and one Ni4+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Co+3.67+ atoms.
DOI: 10.17188/1752359
title: Materials Data on Gd2ZnAg by Materials Project

description: Gd2AgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Zn atoms. All Gd–Ag bond lengths are 3.17 Å. All Gd–Zn bond lengths are 3.17 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.
DOI: 10.17188/1752361
title: Materials Data on Si by Materials Project

description: Si is Protactinium structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Si is bonded in a distorted q6 geometry to ten equivalent Si atoms. There are two shorter (2.58 Å) and eight longer (2.70 Å) Si–Si bond lengths.
DOI: 10.17188/1752362
title: Materials Data on Tm3(GaNi3)2 by Materials Project

description: Tm3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.73 Å) and four longer (3.01 Å) Tm–Ni bond lengths. All Tm–Ga bond lengths are 3.14 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tm, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.55 Å) and two longer (2.84 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.46 Å. Ga is bonded to six equivalent Tm and six equivalent Ni atoms to form a mixture of face and corner-sharing GaTm6Ni6 cuboctahedra.
DOI: 10.17188/1752363
title: Materials Data on SmIn2Pd by Materials Project

description: SmPdIn2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to three Pd and nine In atoms. There are two shorter (3.14 Å) and one longer (3.45 Å) Sm–Pd bond lengths. There are a spread of Sm–In bond distances ranging from 3.19–3.51 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to four Pd and eight In atoms. There are a spread of Sm–Pd bond distances ranging from 3.12–3.27 Å. There are a spread of Sm–In bond distances ranging from 3.24–3.58 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to four equivalent Pd and eight In atoms. All Sm–Pd bond lengths are 3.26 Å. There are four shorter (3.33 Å) and four longer (3.46 Å) Sm–In bond lengths. In the fourth Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Pd and eight In atoms. All Sm–Pd bond lengths are 3.05 Å. There are four shorter (3.41 Å) and four longer (3.44 Å) Sm–In bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to four Sm and six In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.95 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to eight In atoms. There are a spread of Pd–In bond distances ranging from 2.84–2.89 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Sm and five In atoms. There are a spread of Pd–In bond distances ranging from 2.83–2.94 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to six Sm, three Pd, and two equivalent In atoms. Both In–In bond lengths are 3.21 Å. In the second In site, In is bonded in a 3-coordinate geometry to five Sm and three Pd atoms. In the third In site, In is bonded in a 7-coordinate geometry to four Sm, three Pd, and one In atom. In the fourth In site, In is bonded in a 3-coordinate geometry to two equivalent Sm and three Pd atoms.
DOI: 10.17188/1752364
title: Materials Data on KRb2TbCl6 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: 10.17188/1752365
title: Materials Data on NaZn2(MoO5)2 by Materials Project

description: NaZn2(MoO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na is bonded to six O atoms to form NaO6 octahedra that share corners with four equivalent ZnO6 octahedra and corners with six equivalent MoO4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. There are four shorter (2.50 Å) and two longer (2.58 Å) Na–O bond lengths. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with three equivalent NaO6 octahedra and corners with four equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–69°. There are a spread of Mo–O bond distances ranging from 1.74–1.86 Å. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent MoO4 tetrahedra, and edges with two equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Zn–O bond distances ranging from 2.06–2.14 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Na and one Mo atom. In the second O site, O is bonded in a trigonal planar geometry to one Na, one Mo, and one Zn atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Mo and two equivalent Zn atoms. In the fourth O site, O is bonded in a water-like geometry to two equivalent Zn atoms.
DOI: 10.17188/1752367
title: Materials Data on HoCuPbS3 by Materials Project

description: HoCuPbS3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ho3+ is bonded to six S2- atoms to form HoS6 octahedra that share corners with two equivalent HoS6 octahedra, edges with two equivalent HoS6 octahedra, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are four shorter (2.73 Å) and two longer (2.78 Å) Ho–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and edges with four equivalent HoS6 octahedra. There are a spread of Cu–S bond distances ranging from 2.32–2.42 Å. Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.99–3.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ho3+, two equivalent Cu1+, and two equivalent Pb2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ho3+, one Cu1+, and three equivalent Pb2+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Ho3+, one Cu1+, and two equivalent Pb2+ atoms.
DOI: 10.17188/1752368
title: Materials Data on ScAgO2 by Materials Project

description: ScAgO2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form edge-sharing ScO6 octahedra. There are three shorter (2.10 Å) and three longer (2.17 Å) Sc–O bond lengths. Ag1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are one shorter (2.18 Å) and three longer (2.59 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sc3+ and one Ag1+ atom to form distorted corner-sharing OSc3Ag tetrahedra. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Sc3+ and three equivalent Ag1+ atoms.