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At least 451 records · Page 25
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DOE OSTI2020

Materials Data on Sr(SbO3)2 by Materials Project

SrSb2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.85 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. There are a spread of Sb–O bond distances ranging from 1.98–2.02 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are four shorter (2.00 Å) and two longer (2.03 Å) Sb–O bond lengths. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Sb–O bond distances ranging from 1.98–2.02 Å. In the fourth Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of Sb–O bond distances ranging from 1.99–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Sb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb5+ atoms.

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Materials Data on Sr(ZnSb)2 by Materials Project

SrZn2Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Sb3- atoms to form SrSb6 octahedra that share corners with twelve equivalent ZnSb4 tetrahedra, edges with six equivalent SrSb6 octahedra, and edges with six equivalent ZnSb4 tetrahedra. All Sr–Sb bond lengths are 3.37 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with six equivalent SrSb6 octahedra, corners with six equivalent ZnSb4 tetrahedra, edges with three equivalent SrSb6 octahedra, and edges with three equivalent ZnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–51°. There are three shorter (2.74 Å) and one longer (2.83 Å) Zn–Sb bond lengths. Sb3- is bonded to three equivalent Sr2+ and four equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing SbSr3Zn4 pentagonal bipyramids.

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Materials Data on Sr(AsO3)2 by Materials Project

SrAs2O6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Sr–O bond lengths are 2.55 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent SrO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All As–O bond lengths are 1.87 Å. O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent As5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(CuSi)2 by Materials Project

SrCu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent Si4- atoms to form SrSi8 hexagonal bipyramids that share corners with sixteen equivalent CuSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, edges with eight equivalent CuSi4 tetrahedra, and faces with four equivalent SrSi8 hexagonal bipyramids. All Sr–Si bond lengths are 3.21 Å. Cu3+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent SrSi8 hexagonal bipyramids, corners with four equivalent CuSi4 tetrahedra, edges with four equivalent SrSi8 hexagonal bipyramids, and edges with four equivalent CuSi4 tetrahedra. All Cu–Si bond lengths are 2.45 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Cu3+, and one Si4- atom. The Si–Si bond length is 2.45 Å.

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Materials Data on Sr(SbO3)2 by Materials Project

SrSb2O6 is Hydrophilite-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with twelve equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Sr–O bond lengths are 2.58 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SrO6 octahedra and edges with three equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Sb–O bond lengths are 2.02 Å. O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Sr(AuO2)2 by Materials Project

SrAu2O4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.63 Å) and four longer (2.68 Å) Sr–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Sr2+ and two equivalent Au3+ atoms to form a mixture of corner and edge-sharing OSr2Au2 tetrahedra.

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Materials Data on Sr(BO2)2 by Materials Project

SrB2O4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Sr2+ is bonded to eight O2- atoms to form distorted edge-sharing SrO8 hexagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.55–2.78 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one B3+ atom.

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Materials Data on Sr(AsO3)2 by Materials Project

SrAs2O6 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Sr–O bond lengths are 2.54 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent SrO6 pentagonal pyramids and edges with three equivalent AsO6 octahedra. All As–O bond lengths are 1.87 Å. O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent As5+ atoms.

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Materials Data on Sr(GaSe2)2 by Materials Project

SrGa2Se4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.32 Å) Sr–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.43–2.47 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SeSr2Ga2 trigonal pyramids.

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Materials Data on Sr(CoSi)2 by Materials Project

SrCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Sr–Si bond lengths are 3.21 Å. Co3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.27 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Co3+ atoms.

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Materials Data on Sr(NCl2)2 by Materials Project

SrCl4N2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of four ammonia molecules and one SrCl4 framework. In the SrCl4 framework, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All Sr–Cl bond lengths are 2.98 Å. Cl1- is bonded in a linear geometry to two equivalent Sr2+ atoms.

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Materials Data on Sr(AuF6)2 by Materials Project

SrSr3(AuF6)8 crystallizes in the cubic P-43m space group. The structure is three-dimensional and consists of one strontium molecule and one Sr3(AuF6)8 framework. In the Sr3(AuF6)8 framework, Sr2+ is bonded to eight F1- atoms to form distorted SrF8 hexagonal bipyramids that share corners with eight AuF6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There are four shorter (2.65 Å) and four longer (2.66 Å) Sr–F bond lengths. There are two inequivalent Au5+ sites. In the first Au5+ site, Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent SrF8 hexagonal bipyramids. There is three shorter (1.91 Å) and three longer (1.98 Å) Au–F bond length. In the second Au5+ site, Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent SrF8 hexagonal bipyramids. There is three shorter (1.91 Å) and three longer (1.98 Å) Au–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Au5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Au5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom.

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Materials Data on Sr(TmS2)2 by Materials Project

SrTm2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.08–3.28 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Tm–S bond distances ranging from 2.68–2.74 Å. In the second Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Tm–S bond distances ranging from 2.66–2.74 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Tm3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Tm3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Tm3 square pyramids. In the third S2- site, S2- is bonded to two equivalent Sr2+ and three Tm3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Tm3 trigonal bipyramids. In the fourth S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Tm3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Tm3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
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Materials Data on Sr(LuS2)2 by Materials Project

SrLu2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.07–3.27 Å. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Lu–S bond distances ranging from 2.66–2.73 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Lu–S bond distances ranging from 2.65–2.73 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Lu3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Lu3 square pyramids. In the third S2- site, S2- is bonded to two equivalent Sr2+ and three Lu3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Lu3 trigonal bipyramids. In the fourth S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Lu3 trigonal bipyramids.

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Materials Data on Sr(InP)2 by Materials Project

SrIn2P2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two SrIn2P2 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded to six equivalent P3- atoms to form edge-sharing SrP6 octahedra. All Sr–P bond lengths are 3.09 Å. In2+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All In–P bond lengths are 2.66 Å. P3- is bonded to three equivalent Sr2+ and three equivalent In2+ atoms to form a mixture of edge and corner-sharing PSr3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Sr(CO2)2 by Materials Project

SrC2O4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two SrC2O4 ribbons oriented in the (1, 0, 0) direction. Sr2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.94 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a linear geometry to two O2- atoms. Both C–O bond lengths are 1.18 Å. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.31 Å) and one longer (1.33 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a water-like geometry to one Sr2+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one C3+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on Sr(SiPd)6 by Materials Project

Sr(PdSi)6 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional and consists of four strontium molecules and one PdSi framework. In the PdSi framework, there are two inequivalent Pd+2.33+ sites. In the first Pd+2.33+ site, Pd+2.33+ is bonded in a 5-coordinate geometry to five Si+2.67- atoms. There are a spread of Pd–Si bond distances ranging from 2.45–2.62 Å. In the second Pd+2.33+ site, Pd+2.33+ is bonded in a 7-coordinate geometry to seven Si+2.67- atoms. There are a spread of Pd–Si bond distances ranging from 2.44–2.98 Å. There are two inequivalent Si+2.67- sites. In the first Si+2.67- site, Si+2.67- is bonded in a 5-coordinate geometry to six Pd+2.33+ atoms. In the second Si+2.67- site, Si+2.67- is bonded in a 4-coordinate geometry to five Pd+2.33+ atoms.

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Materials Data on Sr(AlS2)2 by Materials Project

SrAl2S4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.15 Å) and four longer (3.19 Å) Sr–S bond lengths. Al3+ is bonded to four S2- atoms to form edge-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.26–2.30 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sr2+ and two equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SSr2Al2 trigonal pyramids.

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