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At least 361 records · Page 20
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DOE OSTI2020

Materials Data on BaCdAsF by Materials Project

BaFCdAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent F1- atoms. All Ba–As bond lengths are 3.56 Å. All Ba–F bond lengths are 2.69 Å. Cd2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. All Cd–As bond lengths are 2.82 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaCdSbF by Materials Project

BaCdSbF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four equivalent F1- atoms. All Ba–Sb bond lengths are 3.70 Å. All Ba–F bond lengths are 2.72 Å. Cd2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing CdSb4 tetrahedra. All Cd–Sb bond lengths are 2.97 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuPd2 by Materials Project

EuPd2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. All Eu–Pd bond lengths are 3.04 Å. Pd is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YZnSn2 by Materials Project

YZnSn2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y is bonded to four equivalent Zn and eight Sn atoms to form a mixture of corner, edge, and face-sharing YZn4Sn8 cuboctahedra. All Y–Zn bond lengths are 3.31 Å. There are four shorter (3.16 Å) and four longer (3.30 Å) Y–Sn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Y, four equivalent Zn, and four equivalent Sn atoms. All Zn–Zn bond lengths are 3.09 Å. All Zn–Sn bond lengths are 2.85 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.09 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuZnSn2 by Materials Project

LuZnSn2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu is bonded to four equivalent Zn and eight Sn atoms to form a mixture of edge, corner, and face-sharing LuZn4Sn8 cuboctahedra. All Lu–Zn bond lengths are 3.26 Å. There are four shorter (3.12 Å) and four longer (3.25 Å) Lu–Sn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Lu, four equivalent Zn, and four equivalent Sn atoms. All Zn–Zn bond lengths are 3.06 Å. All Zn–Sn bond lengths are 2.85 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Lu and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.06 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Lu and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaMnSbF by Materials Project

BaMnSbF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four equivalent F1- atoms. All Ba–Sb bond lengths are 3.74 Å. All Ba–F bond lengths are 2.72 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.88 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Mn2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPOsO by Materials Project

PrOsPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All Pr–P bond lengths are 3.39 Å. All Pr–O bond lengths are 2.36 Å. Os2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing OsP4 tetrahedra. All Os–P bond lengths are 2.36 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Os2+ atoms. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeBi2Au by Materials Project

CeAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded to four equivalent Au and eight Bi atoms to form a mixture of edge, corner, and face-sharing CeBi8Au4 cuboctahedra. All Ce–Au bond lengths are 3.29 Å. There are four shorter (3.34 Å) and four longer (3.56 Å) Ce–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent Ce and four equivalent Bi atoms. All Au–Bi bond lengths are 3.06 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.33 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmZnSn2 by Materials Project

TmZnSn2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tm is bonded to four equivalent Zn and eight Sn atoms to form a mixture of edge, face, and corner-sharing TmZn4Sn8 cuboctahedra. All Tm–Zn bond lengths are 3.28 Å. There are four shorter (3.13 Å) and four longer (3.27 Å) Tm–Sn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Tm, four equivalent Zn, and four equivalent Sn atoms. All Zn–Zn bond lengths are 3.07 Å. All Zn–Sn bond lengths are 2.85 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Tm and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.07 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Tm and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiCuGeAs by Materials Project

TiCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Ti–Ge bond lengths are 2.76 Å. All Ti–As bond lengths are 2.71 Å. Cu is bonded in a 12-coordinate geometry to four equivalent As atoms. All Cu–As bond lengths are 2.52 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.58 Å. As is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaAlGeF by Materials Project

BaAlGeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to four equivalent Ge and four equivalent F atoms. All Ba–Ge bond lengths are 3.54 Å. All Ba–F bond lengths are 2.66 Å. Al is bonded to four equivalent Ge atoms to form a mixture of corner and edge-sharing AlGe4 tetrahedra. All Al–Ge bond lengths are 2.64 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Al atoms. F is bonded to four equivalent Ba atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaCuSF by Materials Project

BaCuSF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent F1- atoms. All Ba–S bond lengths are 3.33 Å. All Ba–F bond lengths are 2.64 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.44 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiLaSO by Materials Project

LiSLaO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one LaO sheet oriented in the (0, 0, 1) direction and one LiS sheet oriented in the (0, 0, 1) direction. In the LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All La–O bond lengths are 2.36 Å. O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the LiS sheet, Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.46 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThAgPO by Materials Project

ThAgPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All Th–P bond lengths are 3.09 Å. All Th–O bond lengths are 2.41 Å. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Ag1+ and four equivalent P3- atoms. All Ag–Ag bond lengths are 2.82 Å. All Ag–P bond lengths are 2.68 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent Ag1+ atoms. O2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCuGeAs by Materials Project

HfCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Hf–Ge bond lengths are 2.85 Å. All Hf–As bond lengths are 2.78 Å. Cu is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing CuAs4 cuboctahedra. All Cu–As bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.64 Å. As is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPd2 by Materials Project

LaPd2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. All La–Pd bond lengths are 3.00 Å. Pd is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeFeAsO by Materials Project

CeFeAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Ce–As bond lengths are 3.21 Å. All Ce–O bond lengths are 2.34 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.61 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Fe2+ atoms. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K(FeTe)2 by Materials Project

KFe2Te2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight equivalent Te atoms. All K–Te bond lengths are 3.58 Å. Fe is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Te atoms. All Fe–Fe bond lengths are 2.74 Å. All Fe–Te bond lengths are 2.64 Å. Te is bonded in a 8-coordinate geometry to four equivalent K and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗