Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Er”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er2S3 by Materials Project

Er2S3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with five ErS6 octahedra, edges with four ErS6 octahedra, edges with four equivalent ErS7 pentagonal bipyramids, and a faceface with one ErS6 octahedra. The corner-sharing octahedra tilt angles range from 32–49°. There are a spread of Er–S bond distances ranging from 2.67–2.91 Å. In the second Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with three ErS6 octahedra, corners with two equivalent ErS7 pentagonal bipyramids, edges with two equivalent ErS6 octahedra, edges with six ErS7 pentagonal bipyramids, and a faceface with one ErS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Er–S bond distances ranging from 2.70–2.94 Å. In the third Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with two ErS6 octahedra, corners with two equivalent ErS7 pentagonal bipyramids, edges with two equivalent ErS6 octahedra, edges with six ErS7 pentagonal bipyramids, and a faceface with one ErS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Er–S bond distances ranging from 2.71–2.93 Å. In the fourth Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with four ErS6 octahedra, corners with five ErS7 pentagonal bipyramids, edges with four equivalent ErS6 octahedra, and a faceface with one ErS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 63–67°. There are a spread of Er–S bond distances ranging from 2.67–2.82 Å. In the fifth Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with four ErS6 octahedra, corners with three ErS7 pentagonal bipyramids, edges with three ErS6 octahedra, and edges with four ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 14–67°. There are a spread of Er–S bond distances ranging from 2.62–2.81 Å. In the sixth Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with four ErS6 octahedra, corners with two ErS7 pentagonal bipyramids, edges with three ErS6 octahedra, and edges with four ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 14–63°. There are a spread of Er–S bond distances ranging from 2.67–2.84 Å. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded to five Er3+ atoms to form distorted SEr5 trigonal bipyramids that share corners with seven SEr4 trigonal pyramids, edges with four equivalent SEr5 trigonal bipyramids, and edges with six SEr4 trigonal pyramids. In the second S2- site, S2- is bonded to five Er3+ atoms to form distorted SEr5 trigonal bipyramids that share corners with four equivalent SEr4 tetrahedra, corners with five SEr4 trigonal pyramids, edges with two equivalent SEr5 square pyramids, an edgeedge with one SEr4 tetrahedra, edges with two equivalent SEr5 trigonal bipyramids, and edges with three equivalent SEr4 trigonal pyramids. In the third S2- site, S2- is bonded to five Er3+ atoms to form SEr5 square pyramids that share a cornercorner with one SEr4 tetrahedra, corners with seven SEr4 trigonal pyramids, edges with two equivalent SEr5 square pyramids, edges with two equivalent SEr4 tetrahedra, edges with two equivalent SEr5 trigonal bipyramids, and an edgeedge with one SEr4 trigonal pyramid. In the fourth S2- site, S2- is bonded to four Er3+ atoms to form SEr4 trigonal pyramids that share a cornercorner with one SEr5 square pyramid, corners with three equivalent SEr4 tetrahedra, corners with two equivalent SEr5 trigonal bipyramids, corners with two equivalent SEr4 trigonal pyramids, edges with three equivalent SEr5 trigonal bipyramids, and edges with two equivalent SEr4 trigonal pyramids. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Er3+ atoms. In the sixth S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 trigonal pyramids that share corners with two equivalent SEr5 square pyramids, a cornercorner with one SEr4 tetrahedra, corners with two equivalent SEr5 trigonal bipyramids, corners with eight SEr4 trigonal pyramids, and edges with three equivalent SEr5 trigonal bipyramids. In the seventh S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 trigonal pyramids that share corners with two equivalent SEr5 square pyramids, corners with five SEr5 trigonal bipyramids, corners with six SEr4 trigonal pyramids, an edgeedge with one SEr5 trigonal bipyramid, and edges with four SEr4 trigonal pyramids. In the eighth S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 tetrahedra that share a cornercorner with one SEr5 square pyramid, corners with two equivalent SEr4 tetrahedra, corners with four equivalent SEr5 trigonal bipyramids, corners with four SEr4 trigonal pyramids, edges with two equivalent SEr5 square pyramids, edges with two equivalent SEr4 tetrahedra, and an edgeedge with one SEr5 trigonal bipyramid. In the ninth S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 trigonal pyramids that share corners with two equivalent SEr5 square pyramids, corners with three SEr5 trigonal bipyramids, corners with six SEr4 trigonal pyramids, an edgeedge with one SEr5 square pyramid, edges with two equivalent SEr5 trigonal bipyramids, and edges with two equivalent SEr4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErZn5 by Materials Project

ErZn5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to fourteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.04–3.30 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to six equivalent Zn atoms. All Zn–Zn bond lengths are 2.61 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.87 Å. In the third Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form ZnEr4Zn8 cuboctahedra that share corners with fourteen ZnEr4Zn8 cuboctahedra, edges with four equivalent ZnEr3Zn9 cuboctahedra, and faces with fourteen ZnEr4Zn8 cuboctahedra. There are two shorter (2.49 Å) and four longer (2.74 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Er and ten Zn atoms. There are two shorter (2.63 Å) and four longer (2.71 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded to three equivalent Er and nine Zn atoms to form distorted ZnEr3Zn9 cuboctahedra that share corners with thirteen ZnEr4Zn8 cuboctahedra, edges with six ZnEr3Zn9 cuboctahedra, and faces with eleven ZnEr4Zn8 cuboctahedra. There are one shorter (2.84 Å) and two longer (2.98 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsEr6CI12 by Materials Project

CsEr6CI12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cs is bonded in a cuboctahedral geometry to twelve I atoms. There are six shorter (4.26 Å) and six longer (4.30 Å) Cs–I bond lengths. Er is bonded in a 6-coordinate geometry to one C and five I atoms. The Er–C bond length is 2.49 Å. There are a spread of Er–I bond distances ranging from 2.99–3.51 Å. C is bonded in an octahedral geometry to six equivalent Er atoms. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to one Cs and two equivalent Er atoms. In the second I site, I is bonded in a 4-coordinate geometry to one Cs and three equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInAu by Materials Project

ErAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.08 Å) and one longer (3.12 Å) Er–Au bond lengths. There are two shorter (3.26 Å) and four longer (3.40 Å) Er–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Au–In bond lengths are 2.84 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Au–In bond lengths are 2.89 Å. In is bonded in a 4-coordinate geometry to six equivalent Er and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTlPd by Materials Project

ErPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.04 Å) and one longer (3.15 Å) Er–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.35 Å) Er–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.82 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.91 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Er and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCoSn2 by Materials Project

ErCoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Co and ten Sn atoms. All Er–Co bond lengths are 3.26 Å. There are a spread of Er–Sn bond distances ranging from 3.27–3.79 Å. Co is bonded in a 9-coordinate geometry to four equivalent Er and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.42–2.58 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Er and four equivalent Co atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Er, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Zn17 by Materials Project

Er2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.10–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Er and nine Zn atoms to form distorted ZnEr3Zn9 cuboctahedra that share corners with twenty-three ZnEr2Zn10 cuboctahedra, edges with ten ZnEr2Zn10 cuboctahedra, and faces with twenty ZnEr3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.53–2.86 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Er and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form ZnEr2Zn10 cuboctahedra that share corners with twenty-two ZnEr2Zn10 cuboctahedra, edges with ten ZnEr2Zn10 cuboctahedra, and faces with eighteen ZnEr3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form distorted ZnEr2Zn10 cuboctahedra that share corners with twenty-four ZnEr2Zn10 cuboctahedra, edges with five ZnEr2Zn10 cuboctahedra, and faces with twenty-one ZnEr3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCoSi2 by Materials Project

ErCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All Er–Co bond lengths are 3.04 Å. There are a spread of Er–Si bond distances ranging from 3.00–3.14 Å. Co is bonded in a 9-coordinate geometry to four equivalent Er and five Si atoms. There are a spread of Co–Si bond distances ranging from 2.21–2.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Er and four equivalent Co atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Er, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSnRh by Materials Project

ErRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (2.98 Å) and one longer (3.07 Å) Er–Rh bond lengths. There are two shorter (3.14 Å) and four longer (3.29 Å) Er–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.75 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.84 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInNi by Materials Project

ErNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.92 Å) and one longer (3.05 Å) Er–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.26 Å) Er–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Ni–In bond lengths are 2.81 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Ni–In bond lengths are 2.67 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Pb4F17 by Materials Project

Er3Pb4F17 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.20–2.32 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.22–2.34 Å. In the third Er3+ site, Er3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Er–F bond distances ranging from 2.22–2.48 Å. In the fourth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.21–2.32 Å. In the fifth Er3+ site, Er3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Er–F bond distances ranging from 2.21–2.53 Å. In the sixth Er3+ site, Er3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Er–F bond distances ranging from 2.22–2.64 Å. There are eight inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.52–2.75 Å. In the second Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.52–2.93 Å. In the third Pb2+ site, Pb2+ is bonded in a 11-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.55–2.99 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.54–2.83 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 11-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.51–2.81 Å. In the sixth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.50–2.75 Å. In the seventh Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.52–2.88 Å. In the eighth Pb2+ site, Pb2+ is bonded in a 11-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.53–2.91 Å. There are thirty-four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to six Pb2+ and eight F1- atoms. There are a spread of F–F bond distances ranging from 2.69–2.80 Å. In the second F1- site, F1- is bonded to four Pb2+ and one F1- atom to form FPb4F tetrahedra that share corners with ten FEr2Pb2 tetrahedra, edges with six FErPb3F tetrahedra, and faces with three FErPb3F tetrahedra. In the third F1- site, F1- is bonded to one Er3+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing FErPb3 tetrahedra. In the fourth F1- site, F1- is bonded to two Er3+ and two Pb2+ atoms to form distorted FEr2Pb2 tetrahedra that share corners with ten FErPb3F tetrahedra and edges with four FEr2Pb2 tetrahedra. In the fifth F1- site, F1- is bonded to one Er3+ and three Pb2+ atoms to form distorted FErPb3 tetrahedra that share corners with eleven FErPb3F tetrahedra and edges with five FErPb3 tetrahedra. In the sixth F1- site, F1- is bonded to one Er3+, three Pb2+, and one F1- atom to form distorted FErPb3F tetrahedra that share corners with nine FEr2Pb2 tetrahedra, edges with five FErPb3F tetrahedra, and faces with three FErPb3F tetrahedra. In the seventh F1- site, F1- is bonded to one Er3+, three Pb2+, and one F1- atom to form distorted FErPb3F tetrahedra that share corners with nine FEr2Pb2 tetrahedra, edges with five FErPb3F tetrahedra, and faces with three FErPb3F tetrahedra. In the eighth F1- site, F1- is bonded to two Er3+ and two Pb2+ atoms to form distorted FEr2Pb2 tetrahedra that share corners with ten FErPb3 tetrahedra and edges with four FEr2Pb2 tetrahedra. In the ninth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Er3+ and one Pb2+ atom. In the tenth F1- site, F1- is bonded to one Er3+ and three Pb2+ atoms to form distorted FErPb3 tetrahedra that share corners with eleven FErPb3F tetrahedra and edges with five FErPb3 tetrahedra. In the eleventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Er3+ and one Pb2+ atom. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the thirteenth F1- site, F1- is bonded to two Er3+ and two Pb2+ atoms to form distorted FEr2Pb2 tetrahedra that share corners with ten FErPb3 tetrahedra and edges with four FErPb3F tetrahedra. In the fourteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the fifteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Er3+ and one Pb2+ atom. In the sixteenth F1- site, F1- is bonded to one Er3+, three Pb2+, and one F1- atom to form distorted FErPb3F tetrahedra that share corners with nine FErPb3F tetrahedra, edges with five FEr2Pb2 tetrahedra, and faces with three FErPb3F tetrahedra. In the seventeenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Er3+ atoms. In the eighteenth F1- site, F1- is bonded in a bent 120 degrees geometry to two Er3+ atoms. In the nineteenth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Er3+ atoms. In the twentieth F1- site, F1- is bonded to one Er3+, three Pb2+, and one F1- atom to form distorted FErPb3F tetrahedra that share corners with nine FEr2Pb2 tetrahedra, edges with five FErPb3 tetrahedra, and faces with three FErPb3F tetrahedra. In the twenty-first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Er3+ and one Pb2+ atom. In the twenty-second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Er3+ atoms. In the twenty-third F1- site, F1- is bonded to two Er3+ and two Pb2+ atoms to form distorted FEr2Pb2 tetrahedra that share corners with ten FErPb3F tetrahedra and edges with four FErPb3 tetrahedra. In the twenty-fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Er3+ atoms. In the twenty-fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Er3+ and one Pb2+ atom. In the twenty-sixth F1- site, F1- is bonded to one Er3+ and three Pb2+ atoms to form distorted FErPb3 tetrahedra that share corners with eleven FErPb3F tetrahedra and edges with five FEr2Pb2 tetrahedra. In the twenty-seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Er3+ and one Pb2+ atom. In the twenty-eighth F1- site, F1- is bonded to two Er3+ and two Pb2+ atoms to form distorted FEr2Pb2 tetrahedra that share corners with ten FErPb3F tetrahedra and edges with four FErPb3 tetrahedra. In the twenty-ninth F1- site, F1- is bonded to one Er3+, three Pb2+, and one F1- atom to form distorted FErPb3F tetrahedra that share corners with nine FErPb3 tetrahedra, edges with five FEr2Pb2 tetrahedra, and faces with three FErPb3F tetrahedra. In the thirtieth F1- site, F1- is bonded to one Er3+, three Pb2+, and one F1- atom to form distorted FErPb3F tetrahedra that share corners with nine FErPb3 tetrahedra, edges with five FErPb3F tetrahedra, and faces with three FErPb3F tetrahedra. In the thirty-first F1- site, F1- is bonded to one Er3+ and three Pb2+ atoms to form distorted FErPb3 tetrahedra that share corners with eleven FErPb3 tetrahedra and edges with five FErPb3F tetrahedra. In the thirty-second F1- site, F1- is bonded to two Er3+ and two Pb2+ atoms to form a mixture of distorted edge and corner-sharing FEr2Pb2 tetrahedra. In the thirty-third F1- site, F1- is bonded to one Er3+ and three Pb2+ atoms to form distorted FErPb3 tetrahedra that share corners with eleven FErPb3F tetrahedra and edges with five FEr2Pb2 tetrahedra. In the thirty-fourth F1- site, F1- is bonded to four Pb2+ and one F1- atom to form distorted FPb4F tetrahedra that share corners with ten FEr2Pb2 tetrahedra, edges with six FErPb3F tetrahedra, and faces with three FErPb3F tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInPt by Materials Project

ErPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.10 Å) Er–Pt bond lengths. There are two shorter (3.19 Å) and four longer (3.33 Å) Er–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Pt–In bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Pt–In bond lengths are 2.87 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInCu by Materials Project

ErCuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (2.98 Å) and one longer (3.04 Å) Er–Cu bond lengths. There are two shorter (3.17 Å) and four longer (3.31 Å) Er–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Cu–In bond lengths are 2.80 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Cu–In bond lengths are 2.73 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInPd by Materials Project

ErPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.14 Å) Er–Pd bond lengths. There are two shorter (3.19 Å) and four longer (3.34 Å) Er–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Pd–In bond lengths are 2.77 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Pd–In bond lengths are 2.89 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Si3O10F by Materials Project

Er3FO10Si3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 6-coordinate geometry to six O2- and one F1- atom. There are a spread of Er–O bond distances ranging from 2.24–2.70 Å. The Er–F bond length is 2.28 Å. In the second Er3+ site, Er3+ is bonded to six O2- and one F1- atom to form ErO6F pentagonal bipyramids that share corners with six SiO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.21–2.45 Å. The Er–F bond length is 2.38 Å. In the third Er3+ site, Er3+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Er–O bond distances ranging from 2.28–2.58 Å. The Er–F bond length is 2.23 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent ErO6F pentagonal bipyramids and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent ErO6F pentagonal bipyramids and corners with two SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.66 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent ErO6F pentagonal bipyramids and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and two Si4+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Si4+ atom. F1- is bonded in a 3-coordinate geometry to three Er3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErAgGe by Materials Project

ErAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Ag and five Ge atoms. There are two shorter (3.17 Å) and four longer (3.33 Å) Er–Ag bond lengths. There are one shorter (2.97 Å) and four longer (3.00 Å) Er–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Er, two equivalent Ag, and four Ge atoms. Both Ag–Ag bond lengths are 3.11 Å. There are two shorter (2.72 Å) and two longer (2.76 Å) Ag–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErMn2 by Materials Project

ErMn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er and twelve equivalent Mn atoms. All Er–Er bond lengths are 3.11 Å. All Er–Mn bond lengths are 2.98 Å. Mn is bonded to six equivalent Er and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba4Er3F17 by Materials Project

Ba4Er3F17 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.64–3.19 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.62–2.93 Å. In the third Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.64–3.17 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.65–3.19 Å. In the fifth Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.65–3.16 Å. In the sixth Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.65–3.17 Å. In the seventh Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.62–2.93 Å. In the eighth Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.64–3.15 Å. There are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.24–2.37 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.25–2.39 Å. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.24–2.37 Å. In the fourth Er3+ site, Er3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Er–F bond distances ranging from 2.24–2.51 Å. In the fifth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.25–2.43 Å. In the sixth Er3+ site, Er3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Er–F bond distances ranging from 2.24–2.64 Å. There are thirty-four inequivalent F1- sites. In the first F1- site, F1- is bonded to six Ba2+ atoms to form a mixture of distorted face and corner-sharing FBa6 octahedra. In the second F1- site, F1- is bonded to three Ba2+ and one Er3+ atom to form distorted FBa3Er tetrahedra that share corners with two equivalent FBa6 octahedra, corners with eight FBa3Er tetrahedra, and edges with five FBa3Er tetrahedra. The corner-sharing octahedra tilt angles range from 52–64°. In the third F1- site, F1- is bonded to four Ba2+ atoms to form FBa4 tetrahedra that share corners with eleven FBa2Er2 tetrahedra, edges with four FBa3Er tetrahedra, and a faceface with one FBa6 octahedra. In the fourth F1- site, F1- is bonded to two Ba2+ and two Er3+ atoms to form distorted FBa2Er2 tetrahedra that share a cornercorner with one FBa6 octahedra, corners with nine FBa3Er tetrahedra, and edges with three FBa2Er2 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fifth F1- site, F1- is bonded to three Ba2+ and one Er3+ atom to form distorted FBa3Er tetrahedra that share corners with two equivalent FBa6 octahedra, corners with nine FBa3Er tetrahedra, and edges with four FBa3Er tetrahedra. The corner-sharing octahedra tilt angles range from 52–65°. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three Ba2+ and one Er3+ atom. In the seventh F1- site, F1- is bonded to three Ba2+ and one Er3+ atom to form distorted FBa3Er tetrahedra that share corners with two equivalent FBa6 octahedra, corners with eight FBa3Er tetrahedra, and edges with five FBa3Er tetrahedra. The corner-sharing octahedra tilt angles range from 52–64°. In the eighth F1- site, F1- is bonded to two Ba2+ and two Er3+ atoms to form distorted FBa2Er2 tetrahedra that share a cornercorner with one FBa6 octahedra, corners with nine FBa3Er tetrahedra, and edges with three FBa2Er2 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the ninth F1- site, F1- is bonded in a 4-coordinate geometry to three Ba2+ and one Er3+ atom. In the tenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ba2+ and two Er3+ atoms. In the eleventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ba2+ and two Er3+ atoms. In the twelfth F1- site, F1- is bonded in a 2-coordinate geometry to two Ba2+ and two Er3+ atoms. In the thirteenth F1- site, F1- is bonded to two Ba2+ and two Er3+ atoms to form distorted FBa2Er2 tetrahedra that share a cornercorner with one FBa6 octahedra, corners with nine FBa3Er tetrahedra, and edges with four FBa3Er tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the fourteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ba2+ and two Er3+ atoms. In the fifteenth F1- site, F1- is bonded in a 4-coordinate geometry to three Ba2+ and one Er3+ atom. In the sixteenth F1- site, F1- is bonded in a 2-coordinate geometry to two Ba2+ and two Er3+ atoms. In the seventeenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ba2+ and two Er3+ atoms. In the eighteenth F1- site, F1- is bonded in a distorted water-like geometry to two Er3+ atoms. In the nineteenth F1- site, F1- is bonded in a 2-coordinate geometry to two Ba2+ and two Er3+ atoms. In the twentieth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ba2+ and two Er3+ atoms. In the twenty-first F1- site, F1- is bonded to three Ba2+ and one Er3+ atom to form distorted FBa3Er tetrahedra that share corners with nine FBa2Er2 tetrahedra, edges with five FBa3Er tetrahedra, and a faceface with one FBa6 octahedra. In the twenty-second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ba2+ and two Er3+ atoms. In the twenty-third F1- site, F1- is bonded to two Ba2+ and two Er3+ atoms to form distorted FBa2Er2 tetrahedra that share a cornercorner with one FBa6 octahedra, corners with eight FBa3Er tetrahedra, and edges with three FBa3Er tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the twenty-fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Ba2+ and two Er3+ atoms. In the twenty-fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ba2+ and two Er3+ atoms. In the twenty-sixth F1- site, F1- is bonded in a 2-coordinate geometry to two Ba2+ and two Er3+ atoms. In the twenty-seventh F1- site, F1- is bonded to three Ba2+ and one Er3+ atom to form distorted FBa3Er tetrahedra that share corners with ten FBa3Er tetrahedra, edges with four FBa3Er tetrahedra, and a faceface with one FBa6 octahedra. In the twenty-eighth F1- site, F1- is bonded to two Ba2+ and two Er3+ atoms to form distorted FBa2Er2 tetrahedra that share a cornercorner with one FBa6 octahedra, corners with eight FBa3Er tetrahedra, and edges with four FBa3Er tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the twenty-ninth F1- site, F1- is bonded to three Ba2+ and one Er3+ atom to form distorted FBa3Er tetrahedra that share corners with two equivalent FBa6 octahedra, corners with nine FBa3Er tetrahedra, and edges with four FBa2Er2 tetrahedra. The corner-sharing octahedra tilt angles range from 52–64°. In the thirtieth F1- site, F1- is bonded to three Ba2+ and one Er3+ atom to form distorted FBa3Er tetrahedra that share corners with ten FBa3Er tetrahedra, edges with four FBa3Er tetrahedra, and a faceface with one FBa6 octahedra. In the thirty-first F1- site, F1- is bonded to three Ba2+ and one Er3+ atom to form distorted FBa3Er tetrahedra that share corners with two equivalent FBa6 octahedra, corners with eight FBa4 tetrahedra, and edges with five FBa3Er tetrahedra. The corner-sharing octahedra tilt angles range from 52–64°. In the thirty-second F1- site, F1- is bonded to two Ba2+ and two Er3+ atoms to form distorted FBa2Er2 tetrahedra that share a cornercorner with one FBa6 octahedra, corners with eight FBa3Er tetrahedra, and edges with four FBa3Er tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the thirty-third F1- site, F1- is bonded to four Ba2+ atoms to form FBa4 tetrahedra that share corners with ten FBa3Er tetrahedra, edges with five FBa3Er tetrahedra, and a faceface with one FBa6 octahedra. In the thirty-fourth F1- site, F1- is bonded to three Ba2+ and one Er3+ atom to form distorted FBa3Er tetrahedra that share corners with two equivalent FBa6 octahedra, corners with nine FBa3Er tetrahedra, and edges with four FBa2Er2 tetrahedra. The corner-sharing octahedra tilt angles range from 52–65°.

36 MATERIALS SCIENCE↗