cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195554
title: Materials Data on Fe2Ge by Materials Project

description: Fe2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six equivalent Ge atoms. There are two shorter (2.50 Å) and six longer (2.69 Å) Fe–Fe bond lengths. All Fe–Ge bond lengths are 2.69 Å. In the second Fe site, Fe is bonded to six equivalent Fe and five equivalent Ge atoms to form a mixture of distorted face and corner-sharing FeFe6Ge5 trigonal bipyramids. There are three shorter (2.39 Å) and two longer (2.50 Å) Fe–Ge bond lengths. Ge is bonded in a 5-coordinate geometry to eleven Fe atoms.
DOI: 10.17188/1195555
title: Materials Data on Ti3In4 by Materials Project

description: Ti3In4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four Ti and eight In atoms to form a mixture of face, edge, and corner-sharing TiTi4In8 cuboctahedra. There are two shorter (2.91 Å) and two longer (2.99 Å) Ti–Ti bond lengths. There are four shorter (3.00 Å) and four longer (3.06 Å) Ti–In bond lengths. In the second Ti site, Ti is bonded in a 10-coordinate geometry to six Ti and four In atoms. Both Ti–Ti bond lengths are 2.99 Å. All Ti–In bond lengths are 2.94 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to five Ti and five In atoms. There are a spread of In–In bond distances ranging from 2.99–3.24 Å. In the second In site, In is bonded in a 10-coordinate geometry to five Ti and five In atoms. There are two shorter (3.00 Å) and two longer (3.06 Å) In–Ti bond lengths. There are a spread of In–In bond distances ranging from 2.99–3.24 Å. In the third In site, In is bonded in a 10-coordinate geometry to five Ti and five In atoms. There are two shorter (2.99 Å) and one longer (3.24 Å) In–In bond lengths.
DOI: 10.17188/1195556
title: Materials Data on GdSnAu by Materials Project

description: GdAuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Sn atoms. There are three shorter (3.06 Å) and three longer (3.64 Å) Gd–Au bond lengths. There are three shorter (3.21 Å) and three longer (3.44 Å) Gd–Sn bond lengths. Au is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Sn atoms. There are three shorter (2.83 Å) and one longer (3.04 Å) Au–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Au atoms.
DOI: 10.17188/1195557
title: Materials Data on TaSiRh by Materials Project

description: TaRhSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Si atoms. There are a spread of Ta–Rh bond distances ranging from 2.91–3.00 Å. There are three shorter (2.68 Å) and two longer (2.74 Å) Ta–Si bond lengths. Rh is bonded in a 4-coordinate geometry to six equivalent Ta and four equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.47 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Rh atoms.
DOI: 10.25345/c5f508
title: MassIVE MSV000086778 - Malic enzyme 2 mediates fumarate signaling to regulate mitochondrial biogenesis
title: Mitochondria have an independent genome (mtDNA) and protein synthesis machinery that coordinately activate for mitochondrial generation. Here, we report that Krebs cycle intermediate, fumarate, connects metabolism to mitobiogenesis through binding to malic enzyme 2 (ME2). Proteomic profiling of ME2-interacting protein reveals that ME2 binds to mitoribosome proteins to regulate mitoribosome assembly and mtDNA-encoded protein production. ME2 also interacts with and modulates deoxyuridine 5-triphosphate nucleotidohydrolase activity to regulate thymidine generation and mtDNA abundance
DOI: 10.6073/pasta/c9fade2c7104aad30e72c5a31b7d368b
title: PIE LTER measurements of the two tallest Phragmites australis stems per five meter interval along transects at the Argilla Rd. salt marsh restoration site (Ipswich, MA) and Rough Meadows reference marsh (Rowley, MA – Stackyard Road area).

description: The file contains measurements of the two tallest Phragmites australis stems per five meter interval along transects at the Argilla Rd. salt marsh restoration site (Ipswich, MA) and Rough Meadows reference marsh (Rowley, MA – Stackyard Road area). The culvert feeding Argilla Marsh was enlarged in late November 1998, thus data from 1999 onward is considered as representing a hydrologically restored marsh. A long term study not directly part of the PIE LTER, but a companion study related to tidal restrictions and hydrological alterations of salt marshes in the Plum Island ecosystem.
DOI: 10.17188/1195558
title: Materials Data on Sr2SmCu3(PbO4)2 by Materials Project

description: Sr2SmCu3(PbO4)2 crystallizes in the tetragonal P4/mmm 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 2.61–2.80 Å. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sm–O bond lengths are 2.45 Å. There are two inequivalent Cu+1.67+ sites. In the first Cu+1.67+ site, Cu+1.67+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one PbO5 square pyramid and corners with four equivalent CuO5 square pyramids. There are four shorter (1.94 Å) and one longer (2.30 Å) Cu–O bond lengths. In the second Cu+1.67+ site, Cu+1.67+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.87 Å. Pb2+ is bonded to five O2- atoms to form PbO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with four equivalent PbO5 square pyramids, and edges with four equivalent PbO5 square pyramids. There are one shorter (2.19 Å) and four longer (2.73 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, one Cu+1.67+, and four equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing OSrCuPb4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Cu+1.67+, and one Pb2+ atom to form distorted OSr4CuPb octahedra that share corners with four equivalent OSr4CuPb octahedra and edges with eight OSrCuPb4 octahedra. The corner-sharing octahedral tilt angles are 19°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Sm3+, and two equivalent Cu+1.67+ atoms.
DOI: 10.17188/1195559
title: Materials Data on PuTe by Materials Project

description: PuTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded in a body-centered cubic geometry to eight equivalent Te atoms. All Pu–Te bond lengths are 3.29 Å. Te is bonded in a body-centered cubic geometry to eight equivalent Pu atoms.
DOI: 10.17188/1195560
title: Materials Data on CeAl by Materials Project

description: CeAl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to two equivalent Ce and eight Al atoms. Both Ce–Ce bond lengths are 3.10 Å. There are a spread of Ce–Al bond distances ranging from 3.10–3.45 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight equivalent Ce and two equivalent Al atoms. Both Al–Al bond lengths are 2.79 Å. In the second Al site, Al is bonded to eight equivalent Ce and four Al atoms to form a mixture of face, edge, and corner-sharing AlCe8Al4 cuboctahedra. Both Al–Al bond lengths are 2.69 Å.
DOI: 10.17188/1195561
title: Materials Data on Zr5Al3 by Materials Project

description: Zr5Al3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to two equivalent Zr and six equivalent Al atoms. Both Zr–Zr bond lengths are 2.77 Å. All Zr–Al bond lengths are 2.92 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Al atoms. There are a spread of Zr–Al bond distances ranging from 2.86–3.07 Å. Al is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1195562
title: Materials Data on MnNi2Sn by Materials Project

description: Ni2MnSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Mn–Ni bond lengths are 2.62 Å. All Mn–Sn bond lengths are 3.02 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.62 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Mn and eight equivalent Ni atoms.
DOI: 10.17188/1195563
title: Materials Data on Mn2Co2C by Materials Project

description: Mn2Co2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and eight equivalent Co atoms to form MnMn4Co8 cuboctahedra that share corners with twelve equivalent MnMn4Co8 cuboctahedra, faces with six equivalent MnMn4Co8 cuboctahedra, and faces with eight equivalent CMn2Co4 octahedra. All Mn–Mn bond lengths are 2.66 Å. All Mn–Co bond lengths are 2.68 Å. In the second Mn site, Mn is bonded in a linear geometry to four equivalent Mn and two equivalent C atoms. Both Mn–C bond lengths are 1.91 Å. Co is bonded in a linear geometry to four equivalent Mn and two equivalent C atoms. Both Co–C bond lengths are 1.88 Å. C is bonded to two equivalent Mn and four equivalent Co atoms to form CMn2Co4 octahedra that share corners with six equivalent CMn2Co4 octahedra and faces with eight equivalent MnMn4Co8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195564
title: Materials Data on GdIn2Rh by Materials Project

description: GdRhIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 1-coordinate geometry to three equivalent Rh and ten equivalent In atoms. There are one shorter (2.88 Å) and two longer (3.11 Å) Gd–Rh bond lengths. There are a spread of Gd–In bond distances ranging from 3.33–3.47 Å. Rh is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent In atoms. There are two shorter (2.80 Å) and four longer (2.81 Å) Rh–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Gd and three equivalent Rh atoms.
DOI: 10.17188/1195565
title: Materials Data on SnPt3C by Materials Project

description: Pt3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt2- is bonded in a distorted linear geometry to four equivalent Sn2+ and two equivalent C4+ atoms. All Pt–Sn bond lengths are 3.04 Å. Both Pt–C bond lengths are 2.15 Å. Sn2+ is bonded to twelve equivalent Pt2- atoms to form SnPt12 cuboctahedra that share corners with twelve equivalent SnPt12 cuboctahedra, faces with six equivalent SnPt12 cuboctahedra, and faces with eight equivalent CPt6 octahedra. C4+ is bonded to six equivalent Pt2- atoms to form CPt6 octahedra that share corners with six equivalent CPt6 octahedra and faces with eight equivalent SnPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195566
title: Materials Data on U3Co2Ge7 by Materials Project

description: U3Co2Ge7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 10-coordinate geometry to four equivalent Co and ten Ge atoms. All U–Co bond lengths are 3.28 Å. There are a spread of U–Ge bond distances ranging from 3.07–3.23 Å. In the second U site, U is bonded to twelve Ge atoms to form a mixture of distorted corner and face-sharing UGe12 cuboctahedra. There are a spread of U–Ge bond distances ranging from 2.94–3.03 Å. Co is bonded in a 5-coordinate geometry to four equivalent U and five Ge atoms. All Co–Ge bond lengths are 2.31 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent U, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a distorted square co-planar geometry to four equivalent U atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to four U and two equivalent Co atoms. In the fourth Ge site, Ge is bonded in a 12-coordinate geometry to four U and two equivalent Co atoms.
DOI: 10.17188/1195567
title: Materials Data on Gd(MnSi)2 by Materials Project

description: GdMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Gd–Si bond lengths are 3.05 Å. Mn+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.32 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.55 Å.
DOI: 10.25934/00002474.0
title: Available IPD datapackage for study 'Phase 2, Multiple Dose, Open-Label Study to Determine the Long Term Safety of MLN0002 in Patients With Ulcerative Colitis and Crohn's Disease'

description: Vivli is an independent, non-profit organization that has developed a global data-sharing and analytics platform to serve all elements of the international research community. Our mission is to promote, coordinate, and facilitate scientific sharing and reuse of clinical research data through the creation and implementation of a sustainable global data-sharing enterprise. The Vivli platform includes an independent data repository, in-depth search engine and a cloud-based, secure analytics platform.
DOI: 10.17188/1195568
title: Materials Data on CeInIr by Materials Project

description: CeIrIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Ir and six equivalent In atoms. There are four shorter (3.04 Å) and one longer (3.12 Å) Ce–Ir bond lengths. There are two shorter (3.24 Å) and four longer (3.38 Å) Ce–In bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Ir–In bond lengths are 2.77 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Ir–In bond lengths are 2.88 Å. In is bonded in a 10-coordinate geometry to six equivalent Ce and four Ir atoms.
DOI: 10.25934/00002474.1
title: IPD datapackage for study 'Phase 2, Multiple Dose, Open-Label Study to Determine the Long Term Safety of MLN0002 in Patients With Ulcerative Colitis and Crohn's Disease' and research request: 'Early changes in inflammatory biomarkers and long-term outcomes in patients with IBD: A pooled post-hoc analyses of clinical trials'

description: Vivli is an independent, non-profit organization that has developed a global data-sharing and analytics platform to serve all elements of the international research community. Our mission is to promote, coordinate, and facilitate scientific sharing and reuse of clinical research data through the creation and implementation of a sustainable global data-sharing enterprise. The Vivli platform includes an independent data repository, in-depth search engine and a cloud-based, secure analytics platform.
DOI: 10.17188/1195569
title: Materials Data on Tb4Sb3 by Materials Project

description: Tb4Sb3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Tb is bonded to six equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing TbSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°. There are three shorter (3.09 Å) and three longer (3.30 Å) Tb–Sb bond lengths. Sb is bonded to eight equivalent Tb atoms to form a mixture of distorted edge, face, and corner-sharing SbTb8 hexagonal bipyramids.
DOI: 10.17188/1195570
title: Materials Data on YCrB4 by Materials Project

description: YCrB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Y–B bond distances ranging from 2.61–2.74 Å. Cr3+ is bonded in a 11-coordinate geometry to one Cr3+ and ten B+1.50- atoms. The Cr–Cr bond length is 2.32 Å. There are a spread of Cr–B bond distances ranging from 2.25–2.32 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Cr3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.84 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Y3+, four equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.74 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Cr3+, and three B+1.50- atoms. The B–B bond length is 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Cr3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å.
DOI: 10.17188/1195571
title: Materials Data on LaInPt by Materials Project

description: LaPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.14 Å) and one longer (3.22 Å) La–Pt bond lengths. There are two shorter (3.37 Å) and four longer (3.50 Å) La–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent La and six equivalent In atoms. All Pt–In bond lengths are 2.84 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent La and three equivalent In atoms. All Pt–In bond lengths are 2.99 Å. In is bonded in a 12-coordinate geometry to six equivalent La and four Pt atoms.
DOI: 10.17188/1195572
title: Materials Data on Ba(MgPb)2 by Materials Project

description: Ba(MgPb)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to eight Mg and eight Pb atoms. There are four shorter (3.82 Å) and four longer (4.03 Å) Ba–Mg bond lengths. There are four shorter (3.85 Å) and four longer (3.97 Å) Ba–Pb bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to four equivalent Ba and five Pb atoms. There are one shorter (2.86 Å) and four longer (3.03 Å) Mg–Pb bond lengths. In the second Mg site, Mg is bonded to four equivalent Ba and four equivalent Pb atoms to form MgBa4Pb4 tetrahedra that share corners with twelve equivalent PbBa4Mg4 tetrahedra, edges with two equivalent PbBa4Mg4 tetrahedra, edges with four equivalent MgBa4Pb4 tetrahedra, and faces with four equivalent MgBa4Pb4 tetrahedra. All Mg–Pb bond lengths are 3.02 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to four equivalent Ba and five Mg atoms. In the second Pb site, Pb is bonded to four equivalent Ba and four equivalent Mg atoms to form distorted PbBa4Mg4 tetrahedra that share corners with twelve equivalent MgBa4Pb4 tetrahedra, edges with two equivalent MgBa4Pb4 tetrahedra, edges with four equivalent PbBa4Mg4 tetrahedra, and faces with four equivalent PbBa4Mg4 tetrahedra.
DOI: 10.17188/1195573
title: Materials Data on TiCoSn by Materials Project

description: CoTiSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Co and four equivalent Sn atoms. All Ti–Co bond lengths are 2.65 Å. All Ti–Sn bond lengths are 2.65 Å. Co is bonded to four equivalent Ti atoms to form distorted CoTi4 tetrahedra that share corners with four equivalent SnTi4 tetrahedra, corners with twelve equivalent CoTi4 tetrahedra, and edges with six equivalent SnTi4 tetrahedra. Sn is bonded to four equivalent Ti atoms to form distorted SnTi4 tetrahedra that share corners with four equivalent CoTi4 tetrahedra, corners with twelve equivalent SnTi4 tetrahedra, and edges with six equivalent CoTi4 tetrahedra.
DOI: 10.17188/1195574
title: Materials Data on Co3Se4 by Materials Project

description: Co3Se4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to four equivalent Se2- atoms to form corner-sharing CoSe4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Co–Se bond lengths are 2.26 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six equivalent Se2- atoms to form CoSe6 octahedra that share corners with six equivalent CoSe4 tetrahedra and edges with six equivalent CoSe6 octahedra. All Co–Se bond lengths are 2.39 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to four Co+2.67+ atoms.
DOI: 10.17188/1195575
title: Materials Data on InP by Materials Project

description: InP is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. In3+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing InP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–P bond lengths are 2.77 Å. P3- is bonded to six equivalent In3+ atoms to form a mixture of edge and corner-sharing PIn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195589
title: Materials Data on PtPbF6 by Materials Project

description: PtPbF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent PbF12 cuboctahedra and faces with two equivalent PbF12 cuboctahedra. All Pt–F bond lengths are 1.97 Å. Pb2+ is bonded to twelve equivalent F1- atoms to form PbF12 cuboctahedra that share corners with six equivalent PtF6 octahedra, edges with six equivalent PbF12 cuboctahedra, and faces with two equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Pb–F bond lengths are 2.78 Å. F1- is bonded in a distorted single-bond geometry to one Pt4+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1195591
title: Materials Data on BaPbO3 by Materials Project

description: BaPbO3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.37 Å. Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 17–23°. All Pb–O bond lengths are 2.21 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Pb4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and two equivalent Pb4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and two equivalent Pb4+ atoms.