Er7Ni2Te2:  The Most Rare-Earth Metal-Rich Ternary Chalcogenide

Meng, Fanqin; Hughbanks, Timothy

doi:10.1021/ic010009h

Cited by 31 publications

(20 citation statements)

References 15 publications

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“…Only one analogous reduced halide system is known with gold, the fairly unremarkable cubic La 3 AuI 3 (Ca 3 PI 3 type) in which gold centers condensed, nominal La 6 octahedra condensed into a spiral network. 25 In contrast to the present results, the polytypic orthorhombic Er 7 Ni 2 Te 2 structure type (Imm2) 26 occurs for several of the heavier R and a fairly large number of other transition metal interstitials: R(Z) = Dy (Pd, Ir, Pt), Er (Rh, Ir, Ni, Pd, Pt), 9 and Lu (Ni, Ru, Rh, Pd). 11 The Y 7 Au 2 Te 2 composition also exists in the orthorhombic structure rather than that of the new Er 7 Au 2 Te 2 .…”

Section: Introductioncontrasting

confidence: 99%

Novel condensation of Au-centered trigonal prisms in rare-earth-metal-rich tellurides: Er7Au2Te2 and Lu7Au2Te2

Gupta

Corbett

2010

Dalton Trans.

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A new monoclinic structure occurs for Er(7)Au(2)Te(2) according to X-ray diffraction analysis of single crystals grown at 1200 degrees C: C2/m, Z = 4, a = 17.8310(9) A, b = 3.9819(5) A, c = 16.9089(9) A, beta = 104.361(4) degrees. The isostructural Lu(7)Au(2)Te(2) also exists according to X-ray powder pattern means, a = 17.536(4) A, b = 3.9719(4) A, c = 16.695(2) A, beta = 104.33(1) degrees. The structure contains zigzag chains of condensed, Au-centered tricapped trigonal prisms (TCTP) of Er along c that also share basal faces along b to generate puckered sheets. Further bi-face-capping Er atoms between these generate the three dimensional network along a, with tellurium in cavities outlined by augmented trigonal prismatic Er polyhedra. Bonding analysis via LMTO-DFT methods reveal very significant Er-Au bonding interactions, as quantified by their energy-weighted Hamilton overlap populations (-ICOHP), approximately 49% of the total for all interactions. These and similar Er-Te contributions sharply contrast with the small Er-Er population, only approximately 14% of the total in spite of the high proportion of Er-Er contacts. The strong polar bonding of Er to the electronegative Au and Te leaves Er relatively oxidized, with many of its 5d states falling above the Fermi level and empty. The contradiction with customary representations of structures that highlight rare-earth metal clusters is manifest. The large Er-Au Hamilton overlap population is in accord with the strong bonding between early and late transition metals first noted by Brewer in 1973. The relationship of this structure to the more distorted orthorhombic (Imm2) structure type of neighboring Dy(7)Ir(2)Te(2) is considered.

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Section: Introductioncontrasting

confidence: 99%

Novel condensation of Au-centered trigonal prisms in rare-earth-metal-rich tellurides: Er7Au2Te2 and Lu7Au2Te2

Gupta

Corbett

2010

Dalton Trans.

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“…The most general new feature is the common but not uniform occurrence of orthorhombic R 7 Z 2 Te 2 -type phases. Heretofore, only a few examples [13,14] were known, namely, Er 7 Ni 2 Te 2 and Lu 7 Z 2 Te 2 , Z ϭ Ni, Pd, Ru, in contrast to the seemingly more common orthorhombic and hexagonal R 6 ZTe 2 -type compounds. However, the present study has turned up 10 more R 7 Z 2 Te 2 examples, Y with Au, Dy with Pd, Ir or Pt, five more for Er with Z ϭ Rh, Pd, Ag, Ir, or Pt, and Lu with Rh.…”

Section: Resultsmentioning

confidence: 99%

“…Therefore, we have undertaken a more systematic survey of such ternary tellurides for a range of R ϭ Sc, Y, Pr, Dy, ErϪLu and Z ϭ RhϪAg and IrϪAu and with a fairly regular synthetic procedure. The results soon focused on new examples of the orthorhombic R 7 Z 2 Te 2 structure [13,14], although a few hexagonal R 6 ZTe 2 examples (Fe 2 P derivatives) [15Ϫ17] were also found. The choice of R metals reflects our earlier observations that the more unusual products appear to occur principally with Sc, Y, and the heavier lanthanides.…”

Section: Introductionmentioning

confidence: 99%

Reduced Ternary Rare‐Earth–Transition Metal Tellurides for the Smaller Rare‐Earth Elements. An Exploration and an Explanation of the Marked Stability Differentiation among the Rare‐Earth Elements in These Phases

Herzmann¹,

Gupta²,

Corbett³

2009

Zeitschrift anorg allge chemie

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“…The topologies of these transition-metal-centered rare-earth cluster double chains are similar to those found for the rare-earth cluster chains in [TR 3 ]X 3 -type iodides with R = Y, Gd and T = Mn, Ru, Ir (not all combinations; Figure 2c) [55,62,67]. Analyses of the electronic structures for diverse representatives of the metal-rich rare-earth transition-metal tellurides typically revealed R-R and strong T-R bonding interactions, whereas the R-Te interactions were usually considered as strongly polar or ionic [65,[68][69][70][71][72][73][74][75][76][77][78][79]. An evaluation of the hitherto detected rare-earth transition-metal tellurides for the group 11 transition-metals (Table 3) demonstrates that both metal-and tellurium-rich tellurides have been identified for this group.…”

Section: R-t R-r R-x T-tmentioning

confidence: 99%

Revealing Tendencies in the Electronic Structures of Polar Intermetallic Compounds

Gladisch

Steinberg

2018

Crystals

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Abstract:The quest for solid-state materials with tailored chemical and physical features stimulates the search for general prescriptions to recognize and forecast their electronic structures providing valuable information about the experimentally determined bulk properties at the atomic scale. Although the concepts first introduced by Zintl and Hume-Rothery help to understand and forecast the bonding motifs in several intermetallic compounds, there is an emerging group of compounds dubbed as polar intermetallic phases whose electronic structures cannot be categorized by the aforementioned conceptions. These polar intermetallic compounds can be divided into two categories based on the building units in their crystal structures and the expected charge distributions between their components. On the one hand, there are polar intermetallic compounds composed of polycationic clusters surrounded by anionic ligands, while, on the other hand, the crystal structures of other polar intermetallic compounds comprise polyanionic units combined with monoatomic cations. In this review, we present the quantum chemical techniques to gain access to the electronic structures of polar intermetallic compounds, evaluate certain trends from a survey of the electronic structures of diverse polar intermetallic compounds, and show options based on quantum chemical approaches to predict the properties of such materials.

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Er₇Ni₂Te₂: The Most Rare-Earth Metal-Rich Ternary Chalcogenide

Cited by 31 publications

References 15 publications

Novel condensation of Au-centered trigonal prisms in rare-earth-metal-rich tellurides: Er7Au2Te2 and Lu7Au2Te2

Novel condensation of Au-centered trigonal prisms in rare-earth-metal-rich tellurides: Er7Au2Te2 and Lu7Au2Te2

Reduced Ternary Rare‐Earth–Transition Metal Tellurides for the Smaller Rare‐Earth Elements. An Exploration and an Explanation of the Marked Stability Differentiation among the Rare‐Earth Elements in These Phases

Revealing Tendencies in the Electronic Structures of Polar Intermetallic Compounds

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