The crystal structure of Tutton's salts. VI. Vanadium(II), iron(II) and cobalt(II) ammonium sulfate hexahydrates

Montgomery, H. E.; Morosin, B.; Natt, J. J.; Witkowska, A. M.; Lingafelter, E. C.

doi:10.1107/s0365110x67001550

Cited by 141 publications

(36 citation statements)

References 2 publications

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“…The nitrogen atom forms four hydrogen bonds with oxygen atoms. N-O distances observed in this investigation (Table 6) agree well with those found in Fe(NH4)2(SO4)2.6H20 by Montgomery et al (1967).…”

Section: Packing and Bondingsupporting

confidence: 90%

The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2.3H2O

Palmer¹,

Wong²,

Lee³

1972

Acta Crystallogr Sect B

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The structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2.3H20, has been determined. The crystals are monoclinic, mauve-colored prisms, space group P21/c, Z= 4, a= 9.982 + 0-005, b= 10.156 + 0.005, c= 9"504+ 0.005 ]k, and fl= 94-95 + 0.05 °. The iron atom is octahedrally coordinated to four sulfate oxygen atoms and two water oxygen atoms. The third water molecule is held in the structure by hydrogen bonds. Fe-O distances average 1.997 + 0.003/~. S-O distances average 1.464 + 0.003/~ when oxygen is not bonded to a second atom, and 1.492 + 0"003 A when the oxygen atom is bonded to both sulfur and iron. The structure has infinite chains of alternating iron atoms and sulfate group running parallel to c. A crystallographically distinct sulfate group forms a bridge between the parallel chains. The structure was refined to a final R index of 0.038 for 1504 reflections measured on a diffractometer.

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Section: Packing and Bondingsupporting

confidence: 90%

The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2.3H2O

Palmer¹,

Wong²,

Lee³

1972

Acta Crystallogr Sect B

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“…Other values reported previously for the N-H bond length in ammonium salts determined by neutron analysis have been consistently • lower than 1.06 A: 1.03 (2)A in NH4C1 and ND4CI (Levy & Peterson, 1952); 1.026 (2) to 1.037(2)!t in Various forms of ND4Br (Levy & Peterson, 1953a); 1.03 It in ND4I (Levy & Peterson, 1953b); 1.004A in NH4HzPO4 (Tenzer, Frazer & Pepinsky, 1958) (Padmanabhan & Balasubramanian, 1967). Most of these neutron determinations were based on a small number of intensity data*, and in most of them the refinements were not so complete as the present one.…”

Section: Water Molecules Ammonium Ion and Hydrogen Bondingmentioning

confidence: 55%

The structure of copper ammonium sulfate hexahydrate from neutron diffraction data

Brown¹,

Chidambaram²

1969

Acta Crystallogr Sect B

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Berman density balance, using bromoform, as 4.60 + 0.01 g.cm -3. With the above values of axial lengths and the angle fl (V=1871 A3), the molecular weight (M= 648 for Fe7Ss) and the observeddensity, the number of formula units per unit cell is calculated to be 8 (Z = 7.998), and the calculated density is 4.602 g.cm-L The rotation and Weissenberg photographs and the 15 ° oscillation photographs about [010] and [001] of a crystal fragment, detached from hexagonal platelets (off an ore sample from level-16), showed superstructure characteristics having a hexagonal supercell a=6.88, c=22.90__+0.02 A; the high angle reflexions did not show any separation characteristic of the monoclinic system. The conditions limiting possible reflexions are: hh2hl only with l = 2n; hhOl only with l = 2n; and hkil with no conditions except l=2n; indicating the space group as one of P6/mcc (1)~6n), P6cc (C~v). The presence of a number of weak reflexions in the patterns could be explained as being due to the monoclinic phase (see above) which was a minor intergrowth with the hexagonal phase in the crystal fragment. The density for the same crystals was determined as 4.58 + 0.01 g.cm -3 and the number of formula units per unit cell was calculated to be 4 (Z=3.998) from the above values of axial lengths (V= 939 A3), the observed density and the molecular weight [M= 648 for Fe7S8 although the composition might have a slight excess of iron (Desborough & Carpenter, 1965)]; the calculated density is 4.582 g.cm -3.The monoclinic and hexagonal pyrrhotites (superstructure types)were found to be associated mainly with chalcopyrite and pyrite in the ores of different levels (Mukherjee, 1968); the monoclinic phase was predominant in the pyrrhotite-rich ores containing pyrite as a minor constituent, and the hexagonal phase was predominant in the pyrrhotite-poor ores containing chalcopyrite and pyrite as major constituents.The author sincerely thanks Mr G.C. Chaterji, Director General of the Geological Survey of India for his keen interest in the work, and Professor B.S.Basak of the Presidency College, Calcutta, for valuable discussions. The structure parameters of the Tutton salt Cu0NIH4)2(SO4)2.6H20 have been refined by the method of least squares from three-dimensional neutron-diffraction data. The e.s.d.'s of the atomic coordinates are from 0.0010 to 0-0023 ./k for the N, S, O atoms and 0.0025 to 0.0053 A for the H atoms. The value derived for fs, the coherent scattering amplitude of sulfur, is 0.283(4), significantly different from the value 0"31 in Bacon's table; values derived for fo and f~ are also slightly different from the tabulated values. Although the heavy-atom coordinates differ significantly in a purely statistical sense from those of the three-dimensional X-ray analysis of Montgomery & Lingafelter, the two descriptions of the heavy-atom structure agree quite well from the point of view of molecular geometry. The hydrogenbonding pattern from the X-ray study is confirmed. References BERTAUT, E. F. (1953

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“…The available data on the ground state and excited orbital states with the respective energy levels determined or adopted for Fe 2+ (S = 2) ions in FASH together with the spin-orbit coupling (SOC) constants: λ c (in crystal), λ 0 (free ion), and the orbital reduction (or covalency) factor defined as: λ c = kλ 0 are surveyed to obtain input for MSH/VBA calculations. Experimental values of the ZFS parameters and energies determined for Fe 2+ ions in FASH [10][11][12] [17] is described by the monoclinic space groups P 2 1 /c (C 5 2h ) and P 2 1 /a, respectively, each with two molecules in the unit cell. The unit cell is described by the lattice constants for FeCl 2 · 4H 2 O: a = 0.5885 nm, b = 0.7180 nm, c = 0.8514 nm, β = 111.09…”

Section: Introductionmentioning

confidence: 99%

“…The ionic positions of ligands around the Fe-site in the unit cell of FeCl 2 ·4H 2 O [16] and FASH [17] indicate that the FeO 6 complex in each system represents the distorted octahedral sixfold coordination (see Fig. 1).…”

Section: Introductionmentioning

confidence: 99%

Comparative Analysis of Experimental and Theoretical Zero-Field Splitting and Zeeman Electronic Parameters for Fe²⁺ Ions in FeX₂·4H₂O (X = F, Cl, Br, I) and [Fe(H₂O)₆](NH₄)₂(SO₄)₂

Zając

Rudowicz

2017

Acta Phys. Pol. A

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The crystal structure of Tutton's salts. VI. Vanadium(II), iron(II) and cobalt(II) ammonium sulfate hexahydrates

Cited by 141 publications

References 2 publications

The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2.3H2O

The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2.3H2O

The structure of copper ammonium sulfate hexahydrate from neutron diffraction data

Comparative Analysis of Experimental and Theoretical Zero-Field Splitting and Zeeman Electronic Parameters for Fe²⁺ Ions in FeX₂·4H₂O (X = F, Cl, Br, I) and [Fe(H₂O)₆](NH₄)₂(SO₄)₂

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The crystal structure of Tutton's salts. VI. Vanadium(II), iron(II) and cobalt(II) ammonium sulfate hexahydrates

Cited by 141 publications

References 2 publications

The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2.3H2O

The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2.3H2O

The structure of copper ammonium sulfate hexahydrate from neutron diffraction data

Comparative Analysis of Experimental and Theoretical Zero-Field Splitting and Zeeman Electronic Parameters for Fe2+ Ions in FeX2·4H2O (X = F, Cl, Br, I) and [Fe(H2O)6](NH4)2(SO4)2

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Comparative Analysis of Experimental and Theoretical Zero-Field Splitting and Zeeman Electronic Parameters for Fe²⁺ Ions in FeX₂·4H₂O (X = F, Cl, Br, I) and [Fe(H₂O)₆](NH₄)₂(SO₄)₂