cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1187355
title: Materials Data on RbPrSe2 by Materials Project

description: RbPrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent PrSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent PrSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Rb–Se bond lengths are 3.50 Å. Pr3+ is bonded to six equivalent Se2- atoms to form PrSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent PrSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Pr–Se bond lengths are 3.02 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing SeRb3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187356
title: Materials Data on RbNdSe2 by Materials Project

description: RbNdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent NdSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent NdSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Rb–Se bond lengths are 3.49 Å. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent NdSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Nd–Se bond lengths are 3.00 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SeRb3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.6084/m9.figshare.13655939
title: Supplementary Material for: Modulation of Pancreatic Neuroendocrine Neoplastic Cell Fate by Autophagy-Mediated Death

description: <b><i>Introduction:</i></b> Autophagic cell death in cancer cells can be mediated by inhibition of deacetylases. Although extensive studies have focused on the autophagic process in cancer, little is known about the role of autophagy in degrading cytosolic and nuclear components of pancreatic neuroendocrine neoplastic (pNEN) cells leading to cell death, thus improving the therapy of patients affected by pNEN. <b><i>Methods:</i></b> 2D and 3D human pNEN and pancreatic stellate cells were treated with panobinostat and bafilomycin. Autophagy markers were detected by RT-qPCR, immunofluorescence, and Western blot. Autophagosomes were detected by electron microscopy and their maturation by real-time fluorescence of LC3B stable transfected cells. ChIP was performed at the cAMP responsive element. Immunofluorescence was performed in murine pancreatic tissue. <b><i>Results:</i></b> We observed that pan-deacetylase inhibitor panobinostat treatment causes autophagic cell death in pNEN cells. We also found that although AMPK-α phosphorylation is counterbalanced by phosphorylated AKT, it is not capable to inhibiting autophagic cell death. However, the binding activity of the cAMP responsive element is prompted by panobinostat. Although autophagy inhibition prevented autophagosome synthesis, maturation, and cell death, panobinostat treatment induced the accumulation of mature autophagosomes in the cytosol and the nucleus, leading to disruption of the organelles, cellular digestion, and decay. Observation of autophagosome membrane proteins Beclin1 and LC3B aggregation in murine pancreatic islets indicates that autophagy restoration may also lead to autophagosome aggregation in murine insulinoma cells. A basal low expression of autophagy markers was detectable in patients affected by pNEN, and, interestingly, the expression of these markers was significantly lower in metastatic pNEN. <b><i>Discussion/Conclusion:</i></b> Our study highlights that the autophagy functional restoration and prolongation of this catabolic process, mediated by inhibition of deacetylase, is responsible for the reduction of pNEN cells. Prompting of autophagy cell death could be a promising strategy for the therapy of pNEN.
DOI: 10.17188/1187357
title: Materials Data on CaCd2 by Materials Project

description: CaCd2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Ca–Cd bond distances ranging from 3.45–3.57 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Ca and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CdCa6Cd6 cuboctahedra. All Cd–Cd bond lengths are 3.01 Å. In the second Cd site, Cd is bonded to six equivalent Ca and six Cd atoms to form a mixture of edge, face, and corner-sharing CdCa6Cd6 cuboctahedra. There are two shorter (2.98 Å) and two longer (3.13 Å) Cd–Cd bond lengths.
DOI: 10.17188/1187358
title: Materials Data on RbSmSe2 by Materials Project

description: RbSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Rb–Se bond lengths are 3.48 Å. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Sm–Se bond lengths are 2.97 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SeRb3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187359
title: Materials Data on RbGdSe2 by Materials Project

description: RbGdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent GdSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent GdSe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Rb–Se bond lengths are 3.47 Å. Gd3+ is bonded to six equivalent Se2- atoms to form GdSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent GdSe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Gd–Se bond lengths are 2.94 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Gd3+ atoms to form a mixture of edge and corner-sharing SeRb3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187360
title: Materials Data on RbTbSe2 by Materials Project

description: RbTbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent TbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Rb–Se bond lengths are 3.46 Å. Tb3+ is bonded to six equivalent Se2- atoms to form TbSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent TbSe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tb–Se bond lengths are 2.92 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SeRb3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187361
title: Materials Data on RbHoSe2 by Materials Project

description: RbHoSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent HoSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–Se bond lengths are 3.45 Å. Ho3+ is bonded to six equivalent Se2- atoms to form HoSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Ho–Se bond lengths are 2.89 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Ho3+ atoms to form a mixture of edge and corner-sharing SeRb3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187362
title: Materials Data on RbErSe2 by Materials Project

description: RbErSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent ErSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent ErSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–Se bond lengths are 3.45 Å. Er3+ is bonded to six equivalent Se2- atoms to form ErSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent ErSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Er–Se bond lengths are 2.88 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Er3+ atoms to form a mixture of edge and corner-sharing SeRb3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187363
title: Materials Data on RbLuSe2 by Materials Project

description: RbLuSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent LuSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent LuSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–Se bond lengths are 3.44 Å. Lu3+ is bonded to six equivalent Se2- atoms to form LuSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent LuSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Lu–Se bond lengths are 2.85 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Lu3+ atoms to form a mixture of corner and edge-sharing SeRb3Lu3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187364
title: Materials Data on Yb2Ge6Pd by Materials Project

description: Yb2PdGe6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Yb is bonded to two equivalent Pd and ten Ge atoms to form a mixture of distorted corner, edge, and face-sharing YbGe10Pd2 cuboctahedra. There are one shorter (3.13 Å) and one longer (3.14 Å) Yb–Pd bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.06–3.41 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Yb and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.49–2.57 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Yb and two Ge atoms. There are one shorter (2.49 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Yb, one Pd, and three Ge atoms. There are one shorter (2.55 Å) and two longer (2.58 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Yb, one Pd, and three Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Yb, one Pd, and two Ge atoms. The Ge–Ge bond length is 2.49 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, one Pd, and three Ge atoms. The Ge–Ge bond length is 2.52 Å.
DOI: 10.17188/1187367
title: Materials Data on TaTlS3 by Materials Project

description: TlTaS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta5+ is bonded to six S2- atoms to form distorted edge-sharing TaS6 octahedra. There are a spread of Ta–S bond distances ranging from 2.26–2.76 Å. Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.13–3.53 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Ta5+ and one Tl1+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one Ta5+ and four equivalent Tl1+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and three equivalent Tl1+ atoms.
DOI: 10.17188/1187368
title: Materials Data on HgSeO4 by Materials Project

description: HgSeO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Hg2+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.30–3.06 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.67 Å) and two longer (1.70 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hg2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hg2+ and one Se6+ atom.
DOI: 10.17188/1187369
title: Materials Data on CaSiNi2 by Materials Project

description: CaNi2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Ca–Si bond lengths are 3.37 Å. Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.34 Å. Si4- is bonded to six equivalent Ca2+ and six equivalent Ni1+ atoms to form a mixture of distorted corner and face-sharing SiCa6Ni6 cuboctahedra.
DOI: 10.17188/1187370
title: Materials Data on HgSeO3 by Materials Project

description: HgSeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.21–2.74 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.77 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and one Se4+ atom.
DOI: 10.17188/1187371
title: Materials Data on U by Materials Project

description: U is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. U is bonded in a distorted body-centered cubic geometry to eight equivalent U atoms. All U–U bond lengths are 2.97 Å.
DOI: 10.17188/1187372
title: Materials Data on RbAs by Materials Project

description: RbAs is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Rb–As bond distances ranging from 3.47–3.90 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five As1- atoms. There are a spread of Rb–As bond distances ranging from 3.44–3.64 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent As1- atoms. There are one shorter (2.53 Å) and one longer (2.55 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six Rb1+ and two equivalent As1- atoms.
DOI: 10.17188/1187373
title: Materials Data on NaYPO4F by Materials Project

description: NaYPO4F crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are two shorter (2.52 Å) and two longer (2.64 Å) Na–O bond lengths. Both Na–F bond lengths are 2.46 Å. Y3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.47 Å. Both Y–F bond lengths are 2.30 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Y3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, one Y3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Y3+ and one P5+ atom. F1- is bonded to two equivalent Na1+ and two equivalent Y3+ atoms to form distorted edge-sharing FNa2Y2 tetrahedra.
DOI: 10.17188/1187374
title: Materials Data on AgSnF6 by Materials Project

description: AgSnF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one AgSnF6 ribbon oriented in the (1, 1, 1) direction. Ag2+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.11–2.70 Å. Sn4+ is bonded in a linear geometry to two equivalent F1- atoms. Both Sn–F bond lengths are 1.18 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ atom.
DOI: 10.17188/1187375
title: Materials Data on V3S4 by Materials Project

description: V3S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+2.67+ sites. In the first V+2.67+ site, V+2.67+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are two shorter (2.39 Å) and four longer (2.44 Å) V–S bond lengths. In the second V+2.67+ site, V+2.67+ is bonded to six S2- atoms to form a mixture of distorted edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of V–S bond distances ranging from 2.31–2.58 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five V+2.67+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four V+2.67+ atoms.
DOI: 10.17188/1187376
title: Materials Data on TiAgF6 by Materials Project

description: TiAgF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one TiAgF6 ribbon oriented in the (1, 1, 1) direction. Ti4+ is bonded in a linear geometry to two equivalent F1- atoms. Both Ti–F bond lengths are 1.09 Å. Ag2+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.12–2.68 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ti4+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ atom.
DOI: 10.17188/1187377
title: Materials Data on NaSr4(BN2)3 by Materials Project

description: NaSr4(BN2)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N3- atoms to form NaN6 octahedra that share faces with eight equivalent SrN6 octahedra. All Na–N bond lengths are 2.45 Å. Sr2+ is bonded to six equivalent N3- atoms to form distorted SrN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and faces with two equivalent NaN6 octahedra. The corner-sharing octahedral tilt angles are 23°. All Sr–N bond lengths are 2.74 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded in a 1-coordinate geometry to one Na1+, four equivalent Sr2+, and one B3+ atom.
DOI: 10.17188/1187378
title: Materials Data on SrLiBO3 by Materials Project

description: LiSrBO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form distorted LiO5 trigonal bipyramids that share corners with five equivalent SrO7 pentagonal bipyramids, corners with two equivalent LiO5 trigonal bipyramids, edges with three equivalent SrO7 pentagonal bipyramids, and an edgeedge with one LiO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 1.99–2.21 Å. Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share corners with two equivalent SrO7 pentagonal bipyramids, corners with five equivalent LiO5 trigonal bipyramids, edges with four equivalent SrO7 pentagonal bipyramids, and edges with three equivalent LiO5 trigonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.53–2.74 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, three equivalent Sr2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one B3+ atom.
DOI: 10.17188/1187379
title: Materials Data on NdAgAs2 by Materials Project

description: NdAgAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (3.04 Å) and four longer (3.18 Å) Nd–As bond lengths. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.88 Å. All Ag–As bond lengths are 2.79 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Ag1+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent As2- atoms. All As–As bond lengths are 2.88 Å.