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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr(ClO2)2 by Materials Project

Sr(O2Cl)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two Sr(O2Cl)2 sheets oriented in the (0, 1, 0) direction. Sr is bonded in a 8-coordinate geometry to eight equivalent O atoms. All Sr–O bond lengths are 2.65 Å. O is bonded in a trigonal planar geometry to two equivalent Sr and one Cl atom. The O–Cl bond length is 1.59 Å. Cl is bonded in a water-like geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(HO)2 by Materials Project

Sr(OH)2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one H1+ and six O2- atoms. The Sr–H bond length is 2.57 Å. There are a spread of Sr–O bond distances ranging from 2.54–2.68 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one H1+ and six O2- atoms. The Sr–H bond length is 2.56 Å. There are a spread of Sr–O bond distances ranging from 2.50–2.64 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Sr2+ and one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Sr2+ and one O2- atom. The H–O bond length is 0.98 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. In the fourth 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 four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three Sr2+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three Sr2+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three Sr2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to three Sr2+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(GeIr)2 by Materials Project

SrIr2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All Sr–Ir bond lengths are 3.44 Å. All Sr–Ge bond lengths are 3.31 Å. Ir is bonded to four equivalent Sr and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing IrSr4Ge4 tetrahedra. All Ir–Ge bond lengths are 2.49 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(GaH)2 by Materials Project

Sr(GaH)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Sr(GaH)2 sheet oriented in the (0, 0, 1) direction. Sr is bonded in a hexagonal planar geometry to six equivalent H atoms. All Sr–H bond lengths are 2.59 Å. Ga is bonded in a single-bond geometry to one H atom. The Ga–H bond length is 1.70 Å. H is bonded to three equivalent Sr and one Ga atom to form a mixture of distorted corner and edge-sharing HSr3Ga trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(GePd)2 by Materials Project

SrPd2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Sr–Pd bond lengths are 3.40 Å. All Sr–Ge bond lengths are 3.41 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.67 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(ClO)2 by Materials Project

Sr(OCl)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Sr(OCl)2 ribbons oriented in the (0, 0, 1) direction. Sr is bonded in a 8-coordinate geometry to four equivalent O atoms. There are two shorter (2.49 Å) and two longer (2.50 Å) Sr–O bond lengths. O is bonded in a trigonal planar geometry to two equivalent Sr and one Cl atom. The O–Cl bond length is 1.67 Å. Cl is bonded in a distorted single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(Cu2Sn)2 by Materials Project

SrCu4Sn2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Sn atoms. All Sr–Cu bond lengths are 3.27 Å. All Sr–Sn bond lengths are 3.65 Å. Cu is bonded in a 9-coordinate geometry to two equivalent Sr, three equivalent Cu, and four equivalent Sn atoms. There are one shorter (2.52 Å) and two longer (2.63 Å) Cu–Cu bond lengths. There are a spread of Cu–Sn bond distances ranging from 2.67–2.75 Å. Sn is bonded in a 12-coordinate geometry to four equivalent Sr and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(ClO)2 by Materials Project

Sr(OCl)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two Sr(OCl)2 sheets oriented in the (0, 1, 0) direction. Sr is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.80 Å. O is bonded in a 5-coordinate geometry to four equivalent Sr and one Cl atom. The O–Cl bond length is 1.71 Å. Cl is bonded in a single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(CaSi3)2 by Materials Project

Sr(CaSi3)2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr is bonded to six Si atoms to form distorted SrSi6 octahedra that share edges with two equivalent SrSi6 octahedra and edges with four equivalent CaSi6 octahedra. All Sr–Si bond lengths are 3.13 Å. Ca is bonded to six Si atoms to form distorted CaSi6 octahedra that share edges with two equivalent SrSi6 octahedra and edges with four equivalent CaSi6 octahedra. There are a spread of Ca–Si bond distances ranging from 3.04–3.10 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to two equivalent Sr, one Ca, and three Si atoms. There are two shorter (2.41 Å) and one longer (2.42 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 6-coordinate geometry to three equivalent Ca and three Si atoms. The Si–Si bond length is 2.40 Å. In the third Si site, Si is bonded in a 6-coordinate geometry to one Sr, two equivalent Ca, and three Si atoms. Both Si–Si bond lengths are 2.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(CuSn)2 by Materials Project

SrCu2Sn2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr is bonded in a 10-coordinate geometry to six equivalent Cu and eight equivalent Sn atoms. There are two shorter (3.22 Å) and four longer (3.38 Å) Sr–Cu bond lengths. There are four shorter (3.53 Å) and four longer (3.72 Å) Sr–Sn bond lengths. Cu is bonded in a 9-coordinate geometry to three equivalent Sr, two equivalent Cu, and four equivalent Sn atoms. Both Cu–Cu bond lengths are 2.59 Å. There are a spread of Cu–Sn bond distances ranging from 2.64–2.70 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Cu, and one Sn atom. The Sn–Sn bond length is 3.15 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr by Materials Project

Sr is beta Sn structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr atoms to form a mixture of distorted edge and corner-sharing SrSr6 pentagonal pyramids. There are four shorter (3.86 Å) and two longer (4.00 Å) Sr–Sr bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr by Materials Project

Sr is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Sr atoms to form a mixture of edge, corner, and face-sharing SrSr12 cuboctahedra. There are six shorter (4.25 Å) and six longer (4.30 Å) Sr–Sr bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr by Materials Project

Sr is Hg_xSn structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr atoms to form a mixture of corner and edge-sharing SrSr8 hexagonal bipyramids. There are two shorter (3.81 Å) and six longer (4.08 Å) Sr–Sr bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr by Materials Project

Sr crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr is bonded in a 11-coordinate geometry to eleven equivalent Sr atoms. There are a spread of Sr–Sr bond distances ranging from 3.89–4.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr by Materials Project

Sr is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr atoms to form a mixture of edge and corner-sharing SrSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–Sr bond lengths are 3.85 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr by Materials Project

Sr is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Sr atoms. All Sr–Sr bond lengths are 4.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr by Materials Project

Sr is alpha Po structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr atoms to form a mixture of corner and edge-sharing SrSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.77 Å) and two longer (3.88 Å) Sr–Sr bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding CO 2 adsorption on the surfaces of SrO and its hydroxylated variants Sr(OH) 2 · n H 2 O ( n = 0, 1, 8)

Strontium oxide (SrO) is a promising material for CO 2 capture through a reversible cycle of carbonation and calcination, where SrO reacts with CO 2 to form SrCO 3 and can be regenerated by calcination. In the presence of moisture, SrO forms strontium hydroxide and its hydrates (Sr(OH) 2 ·nH 2 O). Here, this study, which employs density functional theory, investigates the CO 2 adsorption mechanism of these processes on various crystal surfaces, including SrO, Sr(OH) 2 , Sr(OH) 2 ·1H 2 O, and Sr(OH) 2 ·8H 2 O. A significant finding is that the interaction of CO 2 with these surfaces leads to carbonate/bicarbonate formation via electron transfer, with notable differences in CO 2 orientation and bond characteristics between SrO surfaces and its hydroxylated surfaces. To explore the effects of moisture on CO 2 adsorption, H 2 O adsorption on these stable surfaces was investigated. The results showed that H 2 O reacts with the SrO (100) surface to form hydroxyl (OH) groups while it bonds with the surfaces of Sr(OH) 2 ·nH 2 O (n = 0, 1, 8) with hydrogen bonding. A small amount of H 2 O can enhance CO2 adsorption while a large amount of H 2 O could decrease the capability of CO 2 adsorption.

CO2 capture↗