cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.12505931
title: New Neogene index pollen and spore taxa from the Solimões Basin (Western Amazonia), Brazil

description: In western Amazonia, palynology has been the main source of chronological information for the Neogene Period. The Solimões Formation in northwestern Brazil has hundreds of meters of fine-grained rocks that have yielded rich pollen records informing on age and paleoenvironments. Here, we present new pollen data for two boreholes (1-AS-33-AM and 1-AS-37-AM) in the Solimões Basin and one outcrop (Patos) in the Acre Basin, and describe 36 new taxa (two pteridophyte spores and 34 angiosperm pollen) plus one emendation. Palynostratigraphic zonation schemes from Venezuela and Colombia were analyzed critically to provide relative ages for our sections. We found core 33AM to span pollen zones T14 (∼16–14.2 Ma), T15 (14.2–12.7 Ma) and T16 (12.7–7.1 Ma) <i>sensu</i> Jaramillo et al. (2011), while core 37AM spans zones T15? and T16. We also report the widespread occurrence of <i>Cyatheacidites annulatus</i> in outcrops of the Solimões Formation, implying the existence of latest Miocene (∼7 Ma) to Pliocene sedimentation and suggesting ages older than ∼7 Ma for the uppermost sediments of our boreholes. Biostratigraphic relationships also indicate that <i>Echitricolporites mcneillyi</i> and <i>Ladakhipollenites</i>? <i>caribbiensis</i> cannot be used as Pliocene markers as previously assigned. The implications of these results for the palynostratigraphy and paleoenvironmental reconstructions of western Amazonia are discussed.
DOI: 10.6084/m9.figshare.12854672.v1
title: Compositional and diversity comparisons between the palynological records of the Neogene (Solimões Formation) and Holocene sediments of Western Amazonia

description: Western Amazonia underwent dramatic changes in its landscape and environments during the Neogene, which led to its extant, hyperdiverse, tropical rainforest. Although the palynological fossil record has been the most useful proxy for understanding the history of the Amazonian biome, the floristic composition and diversity of the Neogene and the present Amazonian environments have never been thoroughly compared. In this work, we present preliminary comparisons of the pollen content of a Miocene core from the Solimões Formation in western Amazonia (Brazil) with the pollen content of Holocene sediments from flooded environments (várzeas and lake margins) near the Miocene site. We found a total of 463 pollen and spore types (Miocene, <i>n</i> = 284; Holocene, <i>n</i> = 231), only 52 of which were shared. The Holocene flooding environments displayed distinct palynological signals; both the Holocene and Miocene palynofloras have pollen primarily sourced from the local, flooded environments, with no significant differences in within-sample pollen diversity. The Holocene palynoflora was more heterogeneous in composition than the Miocene palynoflora, probably because the Miocene wetlands (the Pebas System) were highly homogeneous at a continental scale, far more than modern western Amazonia, thus implying that the spatial vegetation turnover was much lower than in modern ecosystems.
DOI: 10.17188/1676689
title: Materials Data on Ba2Ho2CuPtO8 by Materials Project

description: Ba2Ho2PtCuO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.87–3.39 Å. In the second Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.25 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to seven O2- atoms to form distorted HoO7 pentagonal bipyramids that share a cornercorner with one HoO7 pentagonal bipyramid, corners with two equivalent CuO5 square pyramids, edges with five HoO7 pentagonal bipyramids, an edgeedge with one CuO5 square pyramid, and a faceface with one PtO6 octahedra. There are a spread of Ho–O bond distances ranging from 2.29–2.42 Å. In the second Ho3+ site, Ho3+ is bonded to seven O2- atoms to form distorted HoO7 pentagonal bipyramids that share corners with two equivalent PtO6 octahedra, a cornercorner with one HoO7 pentagonal bipyramid, edges with three equivalent HoO7 pentagonal bipyramids, edges with two equivalent CuO5 square pyramids, and a faceface with one PtO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Ho–O bond distances ranging from 2.25–2.45 Å. Pt5+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with two equivalent HoO7 pentagonal bipyramids, corners with three equivalent CuO5 square pyramids, and faces with two HoO7 pentagonal bipyramids. There are a spread of Pt–O bond distances ranging from 2.04–2.11 Å. Cu1+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with three equivalent PtO6 octahedra, corners with two equivalent HoO7 pentagonal bipyramids, and edges with three HoO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 5–10°. There are a spread of Cu–O bond distances ranging from 2.00–2.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ba2+, one Ho3+, one Pt5+, and one Cu1+ atom to form a mixture of distorted edge, corner, and face-sharing OBa3HoCuPt octahedra. The corner-sharing octahedra tilt angles range from 55–68°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+, three Ho3+, and one Cu1+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Pt5+, and one Cu1+ atom. In the fourth O2- site, O2- is bonded to three Ba2+, two Ho3+, and one Pt5+ atom to form a mixture of distorted corner and face-sharing OBa3Ho2Pt octahedra. The corner-sharing octahedra tilt angles range from 2–68°. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Ba2+, two Ho3+, and one Pt5+ atom.
DOI: 10.17188/1676690
title: Materials Data on Mg4Si3 by Materials Project

description: Mg4Si3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.69–3.14 Å. In the second Mg site, Mg is bonded to five Si atoms to form distorted corner-sharing MgSi5 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.67–3.12 Å. In the third Mg site, Mg is bonded in a 4-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.28 Å. In the fourth Mg site, Mg is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–2.91 Å. In the fifth Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–3.07 Å. In the sixth Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–3.19 Å. In the seventh Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–2.95 Å. In the eighth Mg site, Mg is bonded in a 5-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.24 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.59 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Mg and two Si atoms. There are one shorter (2.64 Å) and one longer (2.69 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. There are one shorter (2.58 Å) and one longer (2.59 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 8-coordinate geometry to seven Mg and one Si atom. In the fifth Si site, Si is bonded in a 5-coordinate geometry to seven Mg and three Si atoms. The Si–Si bond length is 2.78 Å. In the sixth Si site, Si is bonded in a 10-coordinate geometry to eight Mg and two Si atoms.
DOI: 10.17188/1676691
title: Materials Data on K3Mn by Materials Project

description: K3Mn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Mn atoms to form distorted KK8Mn4 cuboctahedra that share corners with twelve equivalent KK8Mn4 cuboctahedra, edges with eight equivalent MnK12 cuboctahedra, edges with sixteen equivalent KK8Mn4 cuboctahedra, faces with four equivalent MnK12 cuboctahedra, and faces with fourteen equivalent KK8Mn4 cuboctahedra. All K–K bond lengths are 4.06 Å. All K–Mn bond lengths are 4.06 Å. Mn is bonded to twelve equivalent K atoms to form MnK12 cuboctahedra that share corners with twelve equivalent MnK12 cuboctahedra, edges with twenty-four equivalent KK8Mn4 cuboctahedra, faces with six equivalent MnK12 cuboctahedra, and faces with twelve equivalent KK8Mn4 cuboctahedra.
DOI: 10.17188/1676692
title: Materials Data on Ca8Mn7CrO24 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: 10.17188/1676693
title: Materials Data on PrV2O2 by Materials Project

description: PrV2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded in a linear geometry to two equivalent O atoms. Both Pr–O bond lengths are 2.31 Å. V is bonded in a 1-coordinate geometry to three equivalent O atoms. There are one shorter (2.03 Å) and two longer (2.35 Å) V–O bond lengths. O is bonded in a distorted rectangular see-saw-like geometry to one Pr and three equivalent V atoms.
DOI: 10.17188/1676694
title: Materials Data on Li2Mn3F8 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: 10.17188/1676695
title: Materials Data on MgNi3 by Materials Project

description: MgNi3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Ni atoms to form MgNi12 cuboctahedra that share corners with four equivalent MgNi12 cuboctahedra, corners with eight equivalent NiMg4Ni8 cuboctahedra, edges with eight equivalent MgNi12 cuboctahedra, edges with sixteen equivalent NiMg4Ni8 cuboctahedra, faces with four equivalent MgNi12 cuboctahedra, and faces with fourteen NiMg4Ni8 cuboctahedra. There are eight shorter (2.57 Å) and four longer (2.59 Å) Mg–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Mg and eight equivalent Ni atoms to form distorted NiMg4Ni8 cuboctahedra that share corners with four equivalent NiMg4Ni8 cuboctahedra, corners with eight equivalent MgNi12 cuboctahedra, edges with twenty-four NiMg4Ni8 cuboctahedra, faces with six equivalent MgNi12 cuboctahedra, and faces with twelve NiMg4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.57 Å. In the second Ni site, Ni is bonded to four equivalent Mg and eight Ni atoms to form distorted NiMg4Ni8 cuboctahedra that share corners with twelve equivalent NiMg4Ni8 cuboctahedra, edges with eight equivalent MgNi12 cuboctahedra, edges with sixteen NiMg4Ni8 cuboctahedra, faces with four equivalent MgNi12 cuboctahedra, and faces with fourteen NiMg4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.59 Å.
DOI: 10.17188/1676696
title: Materials Data on Mo3C8Se13N2 by Materials Project

description: Mo3C8N2Se13 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo3C8N2Se13 clusters. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to seven Se2- atoms to form face-sharing MoSe7 pentagonal bipyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.65 Å. In the second Mo6+ site, Mo6+ is bonded to seven Se2- atoms to form distorted face-sharing MoSe7 pentagonal bipyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.75 Å. There are four inequivalent C+1.75+ sites. In the first C+1.75+ site, C+1.75+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.50 Å. In the second C+1.75+ site, C+1.75+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.50 Å. In the third C+1.75+ site, C+1.75+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.50 Å. In the fourth C+1.75+ site, C+1.75+ is bonded in a distorted single-bond geometry to one Se2- atom. The C–Se bond length is 2.24 Å. N3- is bonded in a 3-coordinate geometry to three C+1.75+ and one Se2- atom. The N–Se bond length is 3.69 Å. There are nine inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one Mo6+, two equivalent C+1.75+, and one Se2- atom. The Se–Se bond length is 2.32 Å. In the second Se2- site, Se2- is bonded in a 12-coordinate geometry to three Mo6+ atoms. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to two Mo6+ and one Se2- atom. The Se–Se bond length is 2.32 Å. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Mo6+ and one Se2- atom. The Se–Se bond length is 2.32 Å. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Mo6+ and one Se2- atom. In the sixth Se2- site, Se2- is bonded in a 8-coordinate geometry to two equivalent Mo6+ and one Se2- atom. In the seventh Se2- site, Se2- is bonded in a 3-coordinate geometry to one Mo6+, one N3-, and one Se2- atom. The Se–Se bond length is 2.26 Å. In the eighth Se2- site, Se2- is bonded in a 1-coordinate geometry to one Mo6+ and one Se2- atom. In the ninth Se2- site, Se2- is bonded in a 1-coordinate geometry to one Mo6+ and one Se2- atom.
DOI: 10.17188/1676697
title: Materials Data on V2(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: 10.17188/1676698
title: Materials Data on Ba6Pr2Ga4O15 by Materials Project

description: Ba6Pr2Ga4O15 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.53–3.39 Å. In the second 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 2.77–3.22 Å. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.17 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–2.99 Å. Pr3+ is bonded to six O2- atoms to form PrO6 octahedra that share corners with six GaO4 tetrahedra. There are a spread of Pr–O bond distances ranging from 2.32–2.46 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent PrO6 octahedra. The corner-sharing octahedra tilt angles range from 11–41°. There are a spread of Ga–O bond distances ranging from 1.87–1.89 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent PrO6 octahedra and a cornercorner with one GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–39°. There are a spread of Ga–O bond distances ranging from 1.83–1.89 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Pr3+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Ba2+ and one Ga3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Pr3+, and one Ga3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Ba2+, one Pr3+, and one Ga3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Pr3+, and one Ga3+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Ga3+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Pr3+, and one Ga3+ atom. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+, one Pr3+, and one Ga3+ atom.
DOI: 10.17188/1676699
title: Materials Data on Nb2MoOs by Materials Project

description: Nb2MoOs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Nb2MoOs ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to one Mo and one Os atom. The Nb–Mo bond length is 2.26 Å. The Nb–Os bond length is 2.29 Å. Mo is bonded in a linear geometry to two equivalent Nb atoms. Os is bonded in a linear geometry to two equivalent Nb atoms.
DOI: 10.17188/1676700
title: Materials Data on LuTl by Materials Project

description: LuTl is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Lu–Tl bond lengths are 3.26 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1676701
title: Materials Data on Rb2BaBr4 by Materials Project

description: Rb2BaBr4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.39–3.67 Å. Ba2+ is bonded to eight equivalent Br1- atoms to form distorted edge-sharing BaBr8 hexagonal bipyramids. There are four shorter (3.31 Å) and four longer (3.60 Å) Ba–Br bond lengths. Br1- is bonded to four equivalent Rb1+ and two equivalent Ba2+ atoms to form a mixture of distorted face, edge, and corner-sharing BrRb4Ba2 octahedra. The corner-sharing octahedra tilt angles range from 15–52°.
DOI: 10.17188/1676702
title: Materials Data on K2InHgF6 by Materials Project

description: K2HgInF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent HgF6 octahedra, and faces with four equivalent InF6 octahedra. All K–F bond lengths are 3.28 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.51 Å. In2+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.11 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Hg2+, and one In2+ atom.
DOI: 10.17188/1676703
title: Materials Data on BaZnFeF7 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: 10.17188/1676704
title: Materials Data on MgTiNi2 by Materials Project

description: MgTiNi2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgTiNi2 ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Ni atoms. Both Mg–Ni bond lengths are 2.63 Å. Ti is bonded in a linear geometry to two equivalent Ni atoms. Both Ti–Ni bond lengths are 2.07 Å. Ni is bonded in a linear geometry to one Mg and one Ti atom.
DOI: 10.17188/1676705
title: Materials Data on Er2Fe17C3 by Materials Project

description: Er2Fe17C3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a distorted trigonal planar geometry to four Fe and three equivalent C atoms. There are one shorter (3.09 Å) and three longer (3.31 Å) Er–Fe bond lengths. All Er–C bond lengths are 2.48 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er and ten Fe atoms to form FeEr2Fe10 cuboctahedra that share corners with four equivalent FeEr2Fe10 cuboctahedra, corners with two equivalent CEr2Fe4 octahedra, faces with four equivalent FeEr2Fe10 cuboctahedra, and faces with four equivalent CEr2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Fe–Fe bond distances ranging from 2.45–2.63 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.72 Å. The Fe–C bond length is 1.85 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–Fe bond length is 2.65 Å. The Fe–C bond length is 1.92 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Er and thirteen Fe atoms. The Fe–Fe bond length is 2.41 Å. C is bonded to two equivalent Er and four Fe atoms to form CEr2Fe4 octahedra that share corners with two equivalent FeEr2Fe10 cuboctahedra, corners with four equivalent CEr2Fe4 octahedra, and faces with four equivalent FeEr2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.