Structure of a Mixed-Valence Iron Fluoride, Fe2F5·2H2O

William Hall; Stephen Kim; Jon Zubieta; Erick G. Walton; David B. Brown

doi:10.1021/ic50174a012

Structure of a Mixed-Valence Iron Fluoride, Fe₂F₅·2H₂O

William Hall, Stephen Kim, Jon Zubieta, Erick G. Walton, David B. Brown

Research output: Contribution to journal › Article › peer-review

35 Scopus citations

Abstract

The mixed-valence iron compound, Fe₂F₅·2H₂O, crystallizes in the orthorhombic system, space group Imma. The unit cell has dimensions a = 7.489 (7), b = 10.897 (8), and c = 6.671 (6) Å and contains four formula weights. The calculated and experimental densities are 2.96 and 2.94 g/cm³, respectively, at 20 ± 1 °C. Measurements of diffracted intensities employed -2 scans with filtered Mo Kaαradiation on a Picker diffractometer. A total of 250 reflections in the range 2 ≤ 2θ < 50° were retained as observed. The structure was determined using the heavy-atom method and least-squares refinement. The final conventional discrepancy factor was 0.053. The nonmolecular solid possesses a three-dimensional network structure with distinct Fe(II) and Fe(III) coordination sites. The average Fe(II)-F and Fe(III)-F bond lengths are 2.060 (6) and 1.941 (6) Å, respectively. The aquo groups are coordinated to the iron(II) with Fe-O bond length of 2.13(1) Å.

Original language	English (US)
Pages (from-to)	1884-1887
Number of pages	4
Journal	Inorganic Chemistry
Volume	16
Issue number	8
DOIs	https://doi.org/10.1021/ic50174a012
State	Published - Aug 1 1977
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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title = "Structure of a Mixed-Valence Iron Fluoride, Fe2F5·2H2O",

abstract = "The mixed-valence iron compound, Fe2F5·2H2O, crystallizes in the orthorhombic system, space group Imma. The unit cell has dimensions a = 7.489 (7), b = 10.897 (8), and c = 6.671 (6) {\AA} and contains four formula weights. The calculated and experimental densities are 2.96 and 2.94 g/cm3, respectively, at 20 ± 1 °C. Measurements of diffracted intensities employed -2 scans with filtered Mo Kaαradiation on a Picker diffractometer. A total of 250 reflections in the range 2 ≤ 2θ < 50° were retained as observed. The structure was determined using the heavy-atom method and least-squares refinement. The final conventional discrepancy factor was 0.053. The nonmolecular solid possesses a three-dimensional network structure with distinct Fe(II) and Fe(III) coordination sites. The average Fe(II)-F and Fe(III)-F bond lengths are 2.060 (6) and 1.941 (6) {\AA}, respectively. The aquo groups are coordinated to the iron(II) with Fe-O bond length of 2.13(1) {\AA}.",

author = "William Hall and Stephen Kim and Jon Zubieta and Walton, {Erick G.} and Brown, {David B.}",

year = "1977",

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T1 - Structure of a Mixed-Valence Iron Fluoride, Fe2F5·2H2O

AU - Hall, William

AU - Kim, Stephen

AU - Zubieta, Jon

AU - Walton, Erick G.

AU - Brown, David B.

PY - 1977/8/1

Y1 - 1977/8/1

N2 - The mixed-valence iron compound, Fe2F5·2H2O, crystallizes in the orthorhombic system, space group Imma. The unit cell has dimensions a = 7.489 (7), b = 10.897 (8), and c = 6.671 (6) Å and contains four formula weights. The calculated and experimental densities are 2.96 and 2.94 g/cm3, respectively, at 20 ± 1 °C. Measurements of diffracted intensities employed -2 scans with filtered Mo Kaαradiation on a Picker diffractometer. A total of 250 reflections in the range 2 ≤ 2θ < 50° were retained as observed. The structure was determined using the heavy-atom method and least-squares refinement. The final conventional discrepancy factor was 0.053. The nonmolecular solid possesses a three-dimensional network structure with distinct Fe(II) and Fe(III) coordination sites. The average Fe(II)-F and Fe(III)-F bond lengths are 2.060 (6) and 1.941 (6) Å, respectively. The aquo groups are coordinated to the iron(II) with Fe-O bond length of 2.13(1) Å.

AB - The mixed-valence iron compound, Fe2F5·2H2O, crystallizes in the orthorhombic system, space group Imma. The unit cell has dimensions a = 7.489 (7), b = 10.897 (8), and c = 6.671 (6) Å and contains four formula weights. The calculated and experimental densities are 2.96 and 2.94 g/cm3, respectively, at 20 ± 1 °C. Measurements of diffracted intensities employed -2 scans with filtered Mo Kaαradiation on a Picker diffractometer. A total of 250 reflections in the range 2 ≤ 2θ < 50° were retained as observed. The structure was determined using the heavy-atom method and least-squares refinement. The final conventional discrepancy factor was 0.053. The nonmolecular solid possesses a three-dimensional network structure with distinct Fe(II) and Fe(III) coordination sites. The average Fe(II)-F and Fe(III)-F bond lengths are 2.060 (6) and 1.941 (6) Å, respectively. The aquo groups are coordinated to the iron(II) with Fe-O bond length of 2.13(1) Å.

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JO - Inorganic Chemistry

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Structure of a Mixed-Valence Iron Fluoride, Fe₂F₅·2H₂O

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