cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1713445
title: Materials Data on Cs4BiSbCl12 by Materials Project

description: Cs4BiSbCl12 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded to twelve Cl1- atoms to form distorted CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with two equivalent BiCl6 octahedra, and faces with two equivalent SbCl6 octahedra. There are a spread of Cs–Cl bond distances ranging from 3.62–4.08 Å. Bi3+ is bonded to six Cl1- atoms to form BiCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. There are four shorter (2.72 Å) and two longer (2.73 Å) Bi–Cl bond lengths. Sb5+ is bonded to six Cl1- atoms to form SbCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Sb–Cl bond lengths are 2.42 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Bi3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded to four equivalent Cs1+ and one Bi3+ atom to form a mixture of distorted edge, face, and corner-sharing ClCs4Bi square pyramids.
DOI: 10.17188/1713446
title: Materials Data on Li4NbTe2WO12 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: 10.5519/qd.tfofdcg8
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.17188/1713447
title: Materials Data on Sc(Ni2As)2 by Materials Project

description: Sc(Ni2As)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc2+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing ScAs6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.84 Å) and four longer (2.87 Å) Sc–As bond lengths. Ni1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. There are one shorter (2.35 Å) and two longer (2.36 Å) Ni–As bond lengths. As3- is bonded in a 9-coordinate geometry to three equivalent Sc2+ and six equivalent Ni1+ atoms.
DOI: 10.17188/1713448
title: Materials Data on V2O2F3 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: 10.17188/1713449
title: Materials Data on Cu11PdN4 by Materials Project

description: PdCu11N4 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pd is bonded in a linear geometry to two equivalent N atoms. Both Pd–N bond lengths are 1.96 Å. There are eight inequivalent Cu sites. In the first Cu site, Cu is bonded in a linear geometry to two equivalent N atoms. Both Cu–N bond lengths are 1.96 Å. In the second Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the third Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fourth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the fifth Cu site, Cu is bonded in a linear geometry to two N atoms. Both Cu–N bond lengths are 1.90 Å. In the sixth Cu site, Cu is bonded in a linear geometry to two equivalent N atoms. Both Cu–N bond lengths are 1.96 Å. In the seventh Cu site, Cu is bonded in a linear geometry to two N atoms. There is one shorter (1.90 Å) and one longer (1.91 Å) Cu–N bond length. In the eighth Cu site, Cu is bonded in a linear geometry to two N atoms. There is one shorter (1.90 Å) and one longer (1.91 Å) Cu–N bond length. There are three inequivalent N sites. In the first N site, N is bonded to two equivalent Pd and four Cu atoms to form corner-sharing NCu4Pd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N site, N is bonded to six Cu atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third N site, N is bonded to six Cu atoms to form corner-sharing NCu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1713450
title: Materials Data on LiTiMnF6 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: 10.17188/1713451
title: Materials Data on TiAlNi2 by Materials Project

description: Ni2AlTi is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Ti–Ni bond lengths are 2.56 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ni–Al bond lengths are 2.56 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1713452
title: Materials Data on Cd3Pb by Materials Project

description: Cd3Pb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to eight equivalent Cd and four equivalent Pb atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent PbCd12 cuboctahedra, corners with fourteen CdCd8Pb4 cuboctahedra, edges with six equivalent PbCd12 cuboctahedra, edges with twelve equivalent CdCd8Pb4 cuboctahedra, faces with four equivalent PbCd12 cuboctahedra, and faces with sixteen CdCd8Pb4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.22–3.46 Å. All Cd–Pb bond lengths are 3.34 Å. In the second Cd site, Cd is bonded to eight Cd and four equivalent Pb atoms to form distorted CdCd8Pb4 cuboctahedra that share corners with four equivalent PbCd12 cuboctahedra, corners with fourteen CdCd8Pb4 cuboctahedra, edges with six equivalent PbCd12 cuboctahedra, edges with twelve CdCd8Pb4 cuboctahedra, faces with four equivalent PbCd12 cuboctahedra, and faces with sixteen CdCd8Pb4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.22–3.46 Å. All Cd–Pb bond lengths are 3.34 Å. Pb is bonded to twelve Cd atoms to form PbCd12 cuboctahedra that share corners with six equivalent PbCd12 cuboctahedra, corners with twelve CdCd8Pb4 cuboctahedra, edges with eighteen CdCd8Pb4 cuboctahedra, faces with eight equivalent PbCd12 cuboctahedra, and faces with twelve CdCd8Pb4 cuboctahedra.
DOI: 10.17188/1713453
title: Materials Data on Rb2LiNdBr6 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: 10.17188/1713454
title: Materials Data on Cs3Hg by Materials Project

description: (Cs)3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is zero-dimensional and consists of three cesium molecules and one mercury molecule.
DOI: 10.17188/1713455
title: Materials Data on ZnP2H4O9 by Materials Project

description: (ZnP2(HO2)4)2O2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of eight water molecules and one ZnP2(HO2)4 framework. In the ZnP2(HO2)4 framework, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.94 Å) and two longer (1.96 Å) Zn–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.64 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.65 Å) H–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one P and two H atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom.
DOI: 10.17188/1713456
title: Materials Data on Tb2Co3Ni by Materials Project

description: Tb2Co3Ni is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to nine equivalent Co and three equivalent Ni atoms. There are six shorter (2.95 Å) and three longer (3.08 Å) Tb–Co bond lengths. All Tb–Ni bond lengths are 2.94 Å. Co is bonded to six equivalent Tb, four equivalent Co, and two equivalent Ni atoms to form CoTb6Co4Ni2 cuboctahedra that share corners with four equivalent NiTb6Co6 cuboctahedra, corners with fourteen equivalent CoTb6Co4Ni2 cuboctahedra, edges with six equivalent CoTb6Co4Ni2 cuboctahedra, faces with six equivalent NiTb6Co6 cuboctahedra, and faces with twelve equivalent CoTb6Co4Ni2 cuboctahedra. All Co–Co bond lengths are 2.50 Å. Both Co–Ni bond lengths are 2.58 Å. Ni is bonded to six equivalent Tb and six equivalent Co atoms to form NiTb6Co6 cuboctahedra that share corners with six equivalent NiTb6Co6 cuboctahedra, corners with twelve equivalent CoTb6Co4Ni2 cuboctahedra, edges with six equivalent NiTb6Co6 cuboctahedra, and faces with eighteen equivalent CoTb6Co4Ni2 cuboctahedra.
DOI: 10.17188/1713457
title: Materials Data on Li3BiF6 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: 10.17188/1713459
title: Materials Data on BaAlCuAgO5 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: 10.17188/1713460
title: Materials Data on BaMnP2O7 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: 10.17188/1713461
title: Materials Data on La2ZnCoO6 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: 10.17188/1713462
title: Materials Data on K17Fe5O16 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: 10.17188/1713464
title: Materials Data on Mn16Bi16O45 by Materials Project

description: Mn16Bi16O45 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are three inequivalent Mn+2.62+ sites. In the first Mn+2.62+ site, Mn+2.62+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent MnO6 octahedra and corners with three equivalent MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are three shorter (2.10 Å) and three longer (2.26 Å) Mn–O bond lengths. In the second Mn+2.62+ site, Mn+2.62+ is bonded to five O2- atoms to form corner-sharing MnO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–42°. There are a spread of Mn–O bond distances ranging from 2.03–2.05 Å. In the third Mn+2.62+ site, Mn+2.62+ is bonded to six O2- atoms to form MnO6 octahedra that share a cornercorner with one MnO6 octahedra, corners with two equivalent MnO6 pentagonal pyramids, and corners with three equivalent MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mn–O bond distances ranging from 1.98–2.27 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.19 Å) and three longer (2.87 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two Mn+2.62+ and four Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Mn+2.62+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Mn+2.62+ and two Bi3+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Mn+2.62+ and four equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded to two Mn+2.62+ and two equivalent Bi3+ atoms to form distorted corner-sharing OMn2Bi2 tetrahedra.
DOI: 10.17188/1713465
title: Materials Data on Mg16Al12W by Materials Project

description: Mg16WAl12 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to three equivalent Mg, one W, and twelve Al atoms. All Mg–Mg bond lengths are 3.16 Å. The Mg–W bond length is 2.76 Å. There are a spread of Mg–Al bond distances ranging from 3.10–3.22 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are one shorter (2.98 Å) and two longer (3.04 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 3.10–3.18 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to six Mg, one W, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 2.96–3.31 Å. The Mg–W bond length is 3.04 Å. There are a spread of Mg–Al bond distances ranging from 2.95–3.15 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, one W, and five Al atoms. There are two shorter (3.10 Å) and two longer (3.11 Å) Mg–Mg bond lengths. The Mg–W bond length is 3.65 Å. There are a spread of Mg–Al bond distances ranging from 2.98–3.15 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and five Al atoms. There are a spread of Mg–Al bond distances ranging from 2.87–3.13 Å. W is bonded in a 10-coordinate geometry to seven Mg and six equivalent Al atoms. All W–Al bond lengths are 2.79 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to eight Mg and three Al atoms. There are one shorter (2.68 Å) and two longer (2.78 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.82 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to seven Mg, one W, and three Al atoms. Both Al–Al bond lengths are 2.63 Å.
DOI: 10.17188/1713466
title: Materials Data on Yb2CdGa by Materials Project

description: Yb2CdGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Ga atoms. All Yb–Cd bond lengths are 3.20 Å. All Yb–Ga bond lengths are 3.20 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1713467
title: Materials Data on Co3Cu3(TeO8)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: 10.17188/1713468
title: Materials Data on Rb3Te(PO7)2 by Materials Project

description: Rb3Te(PO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted q6 geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 3.03–3.35 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.24 Å. P is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.54 Å) and one longer (1.55 Å) P–O bond length. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–1.94 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two Rb and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the third O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Rb and one Te atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two Rb and one Te atom. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb and one Te atom. In the seventh O site, O is bonded in a single-bond geometry to two Rb and one P atom.
DOI: 10.17188/1713470
title: Materials Data on Na4Sr2SiP4 by Materials Project

description: Na4Sr2SiP4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to one Si4- and five P1- atoms. The Na–Si bond length is 3.19 Å. There are a spread of Na–P bond distances ranging from 3.08–3.22 Å. In the second Na1+ site, Na1+ is bonded to four P1- atoms to form distorted NaP4 tetrahedra that share corners with two equivalent SiNaSrP4 tetrahedra, corners with six NaP4 tetrahedra, corners with two equivalent NaP4 trigonal pyramids, and an edgeedge with one SiNaSrP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.91–3.09 Å. In the third Na1+ site, Na1+ is bonded to four P1- atoms to form distorted NaP4 trigonal pyramids that share corners with two equivalent SiNaSrP4 tetrahedra, corners with six NaP4 tetrahedra, corners with two equivalent NaP4 trigonal pyramids, and an edgeedge with one SiNaSrP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.89–3.06 Å. In the fourth Na1+ site, Na1+ is bonded to four P1- atoms to form distorted NaP4 tetrahedra that share corners with two equivalent SiNaSrP4 tetrahedra, corners with four equivalent NaP4 tetrahedra, corners with four equivalent NaP4 trigonal pyramids, and an edgeedge with one SiNaSrP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.94–3.12 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five P1- atoms. There are a spread of Sr–P bond distances ranging from 3.06–3.20 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one Si4- and six P1- atoms. The Sr–Si bond length is 3.26 Å. There are a spread of Sr–P bond distances ranging from 3.05–3.40 Å. Si4- is bonded to one Na1+, one Sr2+, and four P1- atoms to form distorted SiNaSrP4 tetrahedra that share corners with four NaP4 tetrahedra, corners with two equivalent NaP4 trigonal pyramids, edges with two NaP4 tetrahedra, and an edgeedge with one NaP4 trigonal pyramid. There are a spread of Si–P bond distances ranging from 2.29–2.35 Å. There are four inequivalent P1- sites. In the first P1- site, P1- is bonded in a 8-coordinate geometry to five Na1+, two equivalent Sr2+, and one Si4- atom. In the second P1- site, P1- is bonded in a 1-coordinate geometry to four Na1+, three Sr2+, and one Si4- atom. In the third P1- site, P1- is bonded in a 8-coordinate geometry to four Na1+, three Sr2+, and one Si4- atom. In the fourth P1- site, P1- is bonded in a 8-coordinate geometry to four Na1+, three Sr2+, and one Si4- atom.
DOI: 10.17188/1713471
title: Materials Data on CsCrH18N6(ClO2)4 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: 10.17188/1713473
title: Materials Data on CaFe(MoO3)2 by Materials Project

description: CaFe(MoO3)2 is Ilmenite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.18–2.68 Å. Mo4+ is bonded to six O2- atoms to form distorted MoO6 pentagonal pyramids that share corners with two equivalent FeO6 octahedra, corners with four equivalent MoO6 pentagonal pyramids, edges with two equivalent FeO6 octahedra, and an edgeedge with one MoO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 51–63°. There are a spread of Mo–O bond distances ranging from 2.11–2.22 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent MoO6 pentagonal pyramids and edges with four equivalent MoO6 pentagonal pyramids. There are a spread of Fe–O bond distances ranging from 1.95–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent Mo4+, and one Fe2+ atom. In the second O2- site, O2- is bonded to one Ca2+, two equivalent Mo4+, and one Fe2+ atom to form a mixture of distorted edge and corner-sharing OCaFeMo2 trigonal pyramids. In the third O2- site, O2- is bonded to one Ca2+, two equivalent Mo4+, and one Fe2+ atom to form a mixture of distorted edge and corner-sharing OCaFeMo2 tetrahedra.
DOI: 10.17188/1713474
title: Materials Data on PrZn2AsO2 by Materials Project

description: PrZn2AsO2 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one PrZn2AsO2 ribbon oriented in the (0, 0, 1) direction. Pr3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pr–O bond lengths are 2.20 Å. Zn2+ is bonded in a distorted linear geometry to one As3- and one O2- atom. The Zn–As bond length is 2.28 Å. The Zn–O bond length is 1.76 Å. As3- is bonded in a linear geometry to two equivalent Zn2+ atoms. O2- is bonded in a linear geometry to one Pr3+ and one Zn2+ atom.