Ba15Fe7S25 and Ba3FeS5: Crystal structures, Mössbauer, magnetic, and electrical behavior

Lemley, J. T.; Jenks, J. M.; Hoggins, J. T.; Eliezer, Z.; Steinfink, H.

doi:10.1016/0022-4596(76)90013-x

Cited by 43 publications

(25 citation statements)

References 9 publications

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“…For Fe 2+ , an experimental magnetic moment of nearly 4.3 μB is less than the theoretical spin-only value of Fe 2+ (4.9 μ B ). The lower effective moment has also been observed in other iron-sulfides such as Ba 2 MFeS 5 (M = Sb, Bi), Ba 15 Fe 7 S 25 , K 2 FeP 2 S 6 , FePb 4 Sb 6 S 14 , and Li 2 FeGeS 4 , etc. The mechanisms of a low effective moment is under debate and can be material dependent.…”

Section: Resultsmentioning

confidence: 59%

Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K₂TGe₃S₈(T = Co, Fe)

Pandey

Harmer

et al. 2021

Inorg. Chem.

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Two new quaternary sulfides K 2 TGe 3 S 8 (T = Co, Fe) have been synthesized by a high-temperature solid-state routine and flux growth method. The crystal growth process of K 2 TGe 3 S 8 (T = Co, Fe) was elucidated by in situ powder X-ray diffraction and DSC thermal analysis. The millimeter-sized crystals of K 2 TGe 3 S 8 (T = Co, Fe) were grown. K 2 CoGe 3 S 8 crystallizes in a new structure type in centrosymmetric space group P1 (no. 2) with unit cell parameters of a = 7.016(1) Å, b= 7.770(1) Å, c = 14.342(1) Å, α = 93.80(1)°, β = 92.65(1)°, γ = 114.04(1)°. K 2 FeGe 3 S 8 crystallizes in the K 2 FeGe 3 Se 8 structure type and the noncentrosymmetric space group P2 1 (no. 4) with unit cell parameters of a = 7.1089(5)Å, b = 11.8823(8) Å, c = 16.7588(11) Å, β = 96.604(2)°. There is a high structural similarity between K 2 CoGe 3 S 8 and K 2 FeGe 3 S 8 . The larger volume coupled with higher degrees of distortion of the [FeS 4 ] tetrahedra compared to the [CoS 4 ] tetrahedra accounts for the structure's shift from centrosymmetric to noncentrosymmetric. The theory simulation confirms that [TS 4 ] T= Co or Fe tetrahedra play a crucial role in controlling the structure and properties of K 2 TGe 3 S 8 (T = Co, Fe). The measured optical bandgaps of K 2 CoGe 3 S 8 and K 2 FeGe 3 S 8 are 2.1(1) eV and 2.6(1) eV, respectively. K 2 FeGe 3 S 8 shows antiferromagnetic ordering at 24 K while no magnetic ordering was detected in K 2 CoGe 3 S 8 . The magnetic measurements also demonstrate the divalent nature of transition metals in K 2 TGe 3 S 8 (T = Co, Fe).

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Section: Resultsmentioning

confidence: 59%

Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K₂TGe₃S₈(T = Co, Fe)

Pandey

Harmer

et al. 2021

Inorg. Chem.

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“…The title compounds Ba 2 FeSbSe 5 and Ba 2 FeBiSe 5 are isostructural, and both are isomorphic to the high pressure phase Ba 3 FeS 5 . [19] Furthermore, the sulfur-containing analogues Ba 2 FePnS 5 (Pn = Sb, Bi) [20] as well as isostructural compounds where Fe 3+ is replaced with Ga 3+ , Ba 2 GaPnSe 5 (Pn = Sb, Bi), [21] have also been reported. Due to structural similarities, only Ba 2 FeBiSe 5 is discussed below, for which the crystal structure is shown in Figure 3.…”

Section: Structure Descriptionmentioning

confidence: 99%

Synthesis, crystal structure, and magnetic properties of quaternary iron selenides: Ba2FePnSe5 (Pn=Sb, Bi)

Wang

Greenfield

Kovnir

2016

Journal of Solid State Chemistry

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Two new barium iron pnictide-selenides, Ba 2 FeSbSe 5 and Ba 2 FeBiSe 5 , were synthesized by a high-temperature solid-state route and their crystal structures were determined using single crystal X-ray diffraction. Both compounds are isomorphic to the high pressure phase Ba 3 FeS 5 and crystallize in the orthorhombic space group Pnma (No. 62) with cell parameters of a = 12.603(2)/12.619(2) Å, b = 9.106(1)/9.183(1) Å, c = 9.145(1)/9.123(1) Å and Z = 4 for Ba 2 FeSbSe 5 and Ba 2 FeBiSe 5 , respectively. According to differential scanning calorimetry, Ba 2 FePnSe 5 compounds exhibit high thermal stability and melt congruently at 1055(5) K (Pn = Sb) and 1105(5) K (Pn = Bi). Magnetic characterizations reveal strong antiferromagnetic nearestneighbor interactions in both compounds resulting in an antiferromagnetic ordering at 58(1) K for Ba 2 FeSbSe 5 and 79(2) K for Ba 2 FeBiSe 5. The magnetic interactions between Fe 3+ centers, which are at least 6 Å apart from each other, are mediated by superexchange interactions.

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“…In accordance with the chemical formula Fe(IV) was postulated [13]. The oxidation state of Fe(IV) is not feasible together with sulfur from chemical arguments.…”

Section: Oxidation State Of Iron and Coppermentioning

confidence: 81%

Some applications of the bond valence model to transition metal chalcogenides

Boller

2009

Journal of Alloys and Compounds

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Ba15Fe7S25 and Ba3FeS5: Crystal structures, Mössbauer, magnetic, and electrical behavior

Cited by 43 publications

References 9 publications

Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K₂TGe₃S₈(T = Co, Fe)

Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K₂TGe₃S₈(T = Co, Fe)

Synthesis, crystal structure, and magnetic properties of quaternary iron selenides: Ba2FePnSe5 (Pn=Sb, Bi)

Some applications of the bond valence model to transition metal chalcogenides

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Ba15Fe7S25 and Ba3FeS5: Crystal structures, Mössbauer, magnetic, and electrical behavior

Cited by 43 publications

References 9 publications

Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K2TGe3S8(T = Co, Fe)

Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K2TGe3S8(T = Co, Fe)

Synthesis, crystal structure, and magnetic properties of quaternary iron selenides: Ba2FePnSe5 (Pn=Sb, Bi)

Some applications of the bond valence model to transition metal chalcogenides

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Product

Resources

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Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K₂TGe₃S₈(T = Co, Fe)

Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K₂TGe₃S₈(T = Co, Fe)