cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1726379
title: Materials Data on Ca(BH4)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: 10.17188/1726380
title: Materials Data on Na3Al(AsO4)2 by Materials Project

description: Na3Al(AsO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.89 Å. In the second Na1+ site, Na1+ is bonded to seven O2- atoms to form distorted NaO7 pentagonal bipyramids that share corners with three equivalent AlO4 tetrahedra, corners with three AsO4 tetrahedra, and edges with two AsO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.39–2.87 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.80 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent NaO7 pentagonal bipyramids and corners with four AsO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.79 Å) Al–O bond length. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent NaO7 pentagonal bipyramids, corners with two equivalent AlO4 tetrahedra, and an edgeedge with one NaO7 pentagonal bipyramid. There are a spread of As–O bond distances ranging from 1.69–1.77 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share a cornercorner with one NaO7 pentagonal bipyramid, corners with two equivalent AlO4 tetrahedra, and an edgeedge with one NaO7 pentagonal bipyramid. There are a spread of As–O bond distances ranging from 1.69–1.77 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Na1+, one Al3+, and one As5+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Na1+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Al3+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted tetrahedral geometry to three Na1+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+, one Al3+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Al3+, and one As5+ atom.
DOI: 10.17188/1726381
title: Materials Data on Si2P4Rh by Materials Project

description: RhSi2P4 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of two RhSi2P4 ribbons oriented in the (1, 0, 0) direction. Rh4+ is bonded in a linear geometry to two equivalent Si4- atoms. Both Rh–Si bond lengths are 2.42 Å. Si4- is bonded to one Rh4+, one Si4-, and two P1+ atoms to form distorted corner-sharing SiSiP2Rh tetrahedra. The Si–Si bond length is 2.33 Å. Both Si–P bond lengths are 2.30 Å. There are two inequivalent P1+ sites. In the first P1+ site, P1+ is bonded in a single-bond geometry to one Si4- atom. In the second P1+ site, P1+ is bonded in a single-bond geometry to one Si4- atom.
DOI: 10.17632/hb65jvynp5.1
title: Data for: Modeling, Forecasting, and Nowcasting U.S. CO2 Emissions Using Many Macroeconomic Predictors

description: Data and model estimation code (Matlab)
DOI: 10.17188/1726382
title: Materials Data on Ba2Pr(CuO2)3 by Materials Project

description: PrBa2Cu3O6 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.79 Å) and four longer (2.81 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.79 Å) and four longer (2.81 Å) Ba–O bond lengths. Pr3+ is bonded to four equivalent O2- atoms to form corner-sharing PrO4 tetrahedra. All Pr–O bond lengths are 2.29 Å. There are two inequivalent Cu+1.67+ sites. In the first Cu+1.67+ site, Cu+1.67+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.83 Å) and two longer (2.13 Å) Cu–O bond length. In the second Cu+1.67+ site, Cu+1.67+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are four shorter (1.92 Å) and two longer (2.76 Å) Cu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and two Cu+1.67+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Cu+1.67+ atoms. In the third O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Cu+1.67+ atoms to form corner-sharing OPr2Cu2 tetrahedra.
DOI: 10.17188/1726383
title: Materials Data on Nd3GaCoS7 by Materials Project

description: Nd3CoGaS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Nd3+ is bonded to seven S2- atoms to form distorted NdS7 pentagonal bipyramids that share a cornercorner with one CoS6 octahedra, corners with six equivalent NdS7 pentagonal bipyramids, corners with two equivalent GaS4 tetrahedra, an edgeedge with one CoS6 octahedra, edges with four equivalent NdS7 pentagonal bipyramids, an edgeedge with one GaS4 tetrahedra, and a faceface with one CoS6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Nd–S bond distances ranging from 2.82–3.04 Å. Co2+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with three equivalent NdS7 pentagonal bipyramids, edges with three equivalent NdS7 pentagonal bipyramids, faces with two equivalent CoS6 octahedra, and faces with three equivalent NdS7 pentagonal bipyramids. There are three shorter (2.40 Å) and three longer (2.46 Å) Co–S bond lengths. Ga3+ is bonded to four S2- atoms to form GaS4 tetrahedra that share corners with six equivalent NdS7 pentagonal bipyramids and edges with three equivalent NdS7 pentagonal bipyramids. There are one shorter (2.25 Å) and three longer (2.29 Å) Ga–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nd3+ and one Ga3+ atom. In the second S2- site, S2- is bonded to three equivalent Nd3+ and one Ga3+ atom to form distorted corner-sharing SNd3Ga tetrahedra. In the third S2- site, S2- is bonded to three equivalent Nd3+ and two equivalent Co2+ atoms to form distorted SNd3Co2 square pyramids that share corners with two equivalent SNd3Co2 square pyramids, corners with three equivalent SNd3Ga tetrahedra, edges with four equivalent SNd3Co2 square pyramids, and faces with two equivalent SNd3Co2 square pyramids.
DOI: 10.17188/1726384
title: Materials Data on Ag2Mo2O7 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: 10.17188/1726385
title: Materials Data on Mn15(Br3O10)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: 10.17188/1726386
title: Materials Data on RbZnP2O9 by Materials Project

description: RbZnP2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 1-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.39 Å. Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.00 Å. There are two inequivalent P sites. In the first P site, 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 1.53–1.67 Å. In the second P site, 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 1.50–1.73 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Rb, one Zn, and one P atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one Zn, and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Zn, and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Rb and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Rb and one P atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the ninth O site, O is bonded in a single-bond geometry to one Rb atom.
DOI: 10.17188/1726387
title: Materials Data on Na2La4O7 by Materials Project

description: Na2La4O7 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 3.20 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to four O2- atoms to form LaO4 trigonal pyramids that share corners with six equivalent LaO6 octahedra and a cornercorner with one LaO4 trigonal pyramid. The corner-sharing octahedral tilt angles are 64°. There are one shorter (2.11 Å) and three longer (2.34 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent LaO4 trigonal pyramids and edges with three equivalent LaO6 octahedra. All La–O bond lengths are 2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na1+ and three La3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent La3+ atoms.
DOI: 10.17188/1726388
title: Materials Data on Cu2Si3H24C8(N10F9)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: 10.17188/1726389
title: Materials Data on Li3Co2(SiO4)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: 10.17188/1726391
title: Materials Data on NaIn2Pb by Materials Project

description: NaIn2Pb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaIn2Pb ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent In atoms. Both Na–In bond lengths are 3.11 Å. In is bonded in a linear geometry to one Na and one Pb atom. The In–Pb bond length is 2.80 Å. Pb is bonded in a linear geometry to two equivalent In atoms.
DOI: 10.17188/1726392
title: Materials Data on Co3C2(SeO5)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: 10.17188/1726393
title: Materials Data on Ca2HBr2 by Materials Project

description: Ca2HBr2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ca2HBr2 cluster. Ca is bonded in a linear geometry to one H and one Br atom. The Ca–H bond length is 2.10 Å. The Ca–Br bond length is 2.54 Å. H is bonded in a linear geometry to two equivalent Ca atoms. Br is bonded in a single-bond geometry to one Ca atom.
DOI: 10.17188/1726394
title: Materials Data on ZnCu3(ClO3)2 by Materials Project

description: Cu3Zn(O3Cl)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Cu3Zn(O3Cl)2 sheet oriented in the (0, 0, 1) direction. Cu is bonded in a distorted square co-planar geometry to four equivalent O and two equivalent Cl atoms. All Cu–O bond lengths are 1.86 Å. Both Cu–Cl bond lengths are 2.69 Å. Zn is bonded in a 6-coordinate geometry to six equivalent O atoms. All Zn–O bond lengths are 2.11 Å. O is bonded in a trigonal non-coplanar geometry to two equivalent Cu and one Zn atom. Cl is bonded in a 3-coordinate geometry to three equivalent Cu atoms.
DOI: 10.17188/1726395
title: Materials Data on Cr2O3 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: 10.17188/1726396
title: Materials Data on Li7V3P8O29 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: 10.17188/1726397
title: Materials Data on Co2OF3 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: 10.17188/1726399
title: Materials Data on Sr2CoSbO6 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: 10.17188/1726400
title: Materials Data on Mn2HO4 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: 10.17188/1726401
title: Materials Data on CsEr(MoO4)2 by Materials Project

description: CsEr(MoO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share edges with six equivalent CsO12 cuboctahedra, edges with six equivalent MoO4 tetrahedra, and faces with two equivalent ErO6 octahedra. There are six shorter (3.28 Å) and six longer (3.52 Å) Cs–O bond lengths. Er3+ is bonded to six equivalent O2- atoms to form ErO6 octahedra that share corners with six equivalent MoO4 tetrahedra and faces with two equivalent CsO12 cuboctahedra. All Er–O bond lengths are 2.24 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three equivalent ErO6 octahedra and edges with three equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There is one shorter (1.75 Å) and three longer (1.81 Å) Mo–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Er3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one Mo6+ atom.
DOI: 10.17188/1726402
title: Materials Data on Al2Si2H4O9 by Materials Project

description: Al2Si2O5(OH)4 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Al2Si2O5(OH)4 sheet oriented in the (0, 0, 1) direction. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent SiO4 tetrahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–2.04 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AlO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–56°. There is one shorter (1.62 Å) and three longer (1.64 Å) Si–O bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Al3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one H1+ atom.
DOI: 10.17188/1726403
title: Materials Data on Mo(SI)2 by Materials Project

description: Mo(SI)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mo(SI)2 sheet oriented in the (0, 0, 1) direction. Mo6+ is bonded in a 8-coordinate geometry to four S2- and four equivalent I1- atoms. There are two shorter (2.43 Å) and two longer (2.44 Å) Mo–S bond lengths. There are two shorter (2.86 Å) and two longer (3.19 Å) Mo–I bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Mo6+ and one S2- atom. The S–S bond length is 2.04 Å. In the second S2- site, S2- is bonded in a 9-coordinate geometry to two equivalent Mo6+ and one S2- atom. I1- is bonded in a 2-coordinate geometry to two equivalent Mo6+ atoms.
DOI: 10.17188/1726404
title: Materials Data on SrCdB2O5 by Materials Project

description: SrCdB2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.03 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.73 Å. Cd2+ is bonded to six O2- atoms to form edge-sharing CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.27–2.48 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.43 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+, one Cd2+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+, one Cd2+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, two equivalent Cd2+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, two equivalent Cd2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sr2+ and two B3+ atoms.
DOI: 10.17188/1726405
title: Materials Data on Sr2Fe23O38 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: 10.17188/1726406
title: Materials Data on Sn2PO5 by Materials Project

description: Sn2PO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sn+2.50+ sites. In the first Sn+2.50+ site, Sn+2.50+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.44 Å. In the second Sn+2.50+ site, Sn+2.50+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.56 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Sn+2.50+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Sn+2.50+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn+2.50+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn+2.50+ atoms.
DOI: 10.17188/1726407
title: Materials Data on V3(O2F)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: 10.17188/1726408
title: Materials Data on Cd3(FeN2)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: 10.17188/1726409
title: Materials Data on USiO3 by Materials Project

description: SiOUO2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to twelve equivalent O atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All U–O bond lengths are 2.68 Å. Si is bonded to six equivalent O atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.90 Å. O is bonded in a distorted linear geometry to four equivalent U and two equivalent Si atoms.