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Materials Data on KTm by Materials Project

KTm is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent K and six equivalent Tm atoms to form KK6Tm6 cuboctahedra that share corners with eighteen equivalent KK6Tm6 cuboctahedra, edges with six equivalent KK6Tm6 cuboctahedra, edges with twelve equivalent TmK6Tm6 cuboctahedra, faces with eight equivalent KK6Tm6 cuboctahedra, and faces with twelve equivalent TmK6Tm6 cuboctahedra. All K–K bond lengths are 3.60 Å. All K–Tm bond lengths are 4.14 Å. Tm is bonded to six equivalent K and six equivalent Tm atoms to form TmK6Tm6 cuboctahedra that share corners with eighteen equivalent TmK6Tm6 cuboctahedra, edges with six equivalent TmK6Tm6 cuboctahedra, edges with twelve equivalent KK6Tm6 cuboctahedra, faces with eight equivalent TmK6Tm6 cuboctahedra, and faces with twelve equivalent KK6Tm6 cuboctahedra. All Tm–Tm bond lengths are 3.60 Å.

36 MATERIALS SCIENCE↗

Materials Data on KTm(SO5)2 by Materials Project

KTm(SO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.64–3.33 Å. Tm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.47 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent K and one S atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one K and one Tm atom. In the third O site, O is bonded in a distorted single-bond geometry to one K and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Tm and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one K, one Tm, and one S atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Tm, and one S atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one K, one Tm, and one S atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one K and one Tm atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Tm and one S atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Tm and one S atom.

36 MATERIALS SCIENCE↗

Materials Data on KTm(MoO4)2 by Materials Project

KTm(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.89 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.26–2.52 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tm3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Tm3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on KTm(CO3)2 by Materials Project

KTm(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.24 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.48 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent K1+, one Tm3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Tm3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Tm3+, and one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on KTm(MoO4)2 by Materials Project

KTm(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.35 Å. Tm3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.70 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.40 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, two equivalent Tm3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Tm3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Tm3+, and one Mo6+ atom.

36 MATERIALS SCIENCE↗

Interplay of itinerant electrons and Ising moments in a hybrid honeycomb quantum magnet TmNi 3 Al 9

The interplay between itinerant electrons and local magnetic moments in quantum materials brings about rich and fascinating phenomena and stimulates various developments in the theoretical framework. In this work, thermodynamic, electric transport, and neutron diffraction measurements were performed on a newly synthesized honeycomb lattice magnet TmNi 3 Al 9 . Based on the experimental data, a magnetic-field–temperature phase diagram was constructed, exhibiting three essentially different magnetic regions. Below T N =2.97±0.02KTm 3+ , moments order antiferromagnetically in zero field. We found that the Tm 3+ ions form a pseudodoublet ground state with the Ising-like moments lying normal to the two-dimensional honeycomb layers. Application of a magnetic field along the easy axis gradually suppresses the antiferromagnetic order in favor of an induced ferromagnetic state above the critical field B c =0.92±0.05T. In the vicinity of B c , a strong enhancement of the quantum spin fluctuations was observed. The quantum Ising nature of the local moments and the coupling to itinerant electrons are discussed.

36 MATERIALS SCIENCE↗