The structure of H3O+-exchanged pharmacosiderite

S. J. Mills; S. L. Hager; P. Leverett; P. A. Williams; M. Raudsepp

The structure of H3O+-exchanged pharmacosiderite

S. J. Mills, S. L. Hager, P. Leverett, P. A. Williams, M. Raudsepp

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

20 Citations (Scopus)

Abstract

The crystal structure of H3O+-exchanged pharmacosiderite (pharmacosiderite is KFe4(AsO4) 3(OH)4"¢nH2O, sensu stricto) has been determined by single-crystal X-ray diffraction and refined to R 1 = 0.0418. H3O+-exchanged pharmacosiderite, (H 3O+)Fe4(AsO4)3(OH) 4"¢4.5H2O, is cubic, space group P43m, with a = 7.982(9) ÃƒÂ…, V = 508.5(9) ÃƒÂ…3 and Z = 1. The structure broadly conforms to that of the general pharmacosiderite structure type, with the hydronium ion generated by partial protonation of a site corresponding to a molecule of water of crystallization and its symmetry-related equivalents. In addition, the structure of a "pharmacosiderite" from Cornwall, United Kingdom, in which no alkali metals could be detected, has been re-evaluated and found to be consistent with that of the H3O+ exchanged structure. Its composition is (H3O+)Fe 4(AsO4)3(OH)4"¢4H2O, with the partially occupied water found for the exchanged structure at (Â½, Â½, Â½) being absent in this case.

Original language	English
Pages (from-to)	487-492
Number of pages	6
Journal	Mineralogical Magazine
Volume	74
Issue number	3
Publication status	Published - 2010

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@article{879b4fabbfcc496cbce8da3057313374,

title = "The structure of H3O+-exchanged pharmacosiderite",

abstract = "The crystal structure of H3O+-exchanged pharmacosiderite (pharmacosiderite is KFe4(AsO4) 3(OH)4{"}¢nH2O, sensu stricto) has been determined by single-crystal X-ray diffraction and refined to R 1 = 0.0418. H3O+-exchanged pharmacosiderite, (H 3O+)Fe4(AsO4)3(OH) 4{"}¢4.5H2O, is cubic, space group P43m, with a = 7.982(9) {\~A}ƒ{\^A}…, V = 508.5(9) {\~A}ƒ{\^A}…3 and Z = 1. The structure broadly conforms to that of the general pharmacosiderite structure type, with the hydronium ion generated by partial protonation of a site corresponding to a molecule of water of crystallization and its symmetry-related equivalents. In addition, the structure of a {"}pharmacosiderite{"} from Cornwall, United Kingdom, in which no alkali metals could be detected, has been re-evaluated and found to be consistent with that of the H3O+ exchanged structure. Its composition is (H3O+)Fe 4(AsO4)3(OH)4{"}¢4H2O, with the partially occupied water found for the exchanged structure at ({\^A}½, {\^A}½, {\^A}½) being absent in this case.",

author = "Mills, {S. J.} and Hager, {S. L.} and P. Leverett and Williams, {P. A.} and M. Raudsepp",

year = "2010",

language = "English",

volume = "74",

pages = "487--492",

journal = "Mineralogical Magazine",

issn = "0026-461X",

publisher = "Mineralogical Society",

number = "3",

}

TY - JOUR

T1 - The structure of H3O+-exchanged pharmacosiderite

AU - Mills, S. J.

AU - Hager, S. L.

AU - Leverett, P.

AU - Williams, P. A.

AU - Raudsepp, M.

PY - 2010

Y1 - 2010

N2 - The crystal structure of H3O+-exchanged pharmacosiderite (pharmacosiderite is KFe4(AsO4) 3(OH)4"¢nH2O, sensu stricto) has been determined by single-crystal X-ray diffraction and refined to R 1 = 0.0418. H3O+-exchanged pharmacosiderite, (H 3O+)Fe4(AsO4)3(OH) 4"¢4.5H2O, is cubic, space group P43m, with a = 7.982(9) ÃƒÂ…, V = 508.5(9) ÃƒÂ…3 and Z = 1. The structure broadly conforms to that of the general pharmacosiderite structure type, with the hydronium ion generated by partial protonation of a site corresponding to a molecule of water of crystallization and its symmetry-related equivalents. In addition, the structure of a "pharmacosiderite" from Cornwall, United Kingdom, in which no alkali metals could be detected, has been re-evaluated and found to be consistent with that of the H3O+ exchanged structure. Its composition is (H3O+)Fe 4(AsO4)3(OH)4"¢4H2O, with the partially occupied water found for the exchanged structure at (Â½, Â½, Â½) being absent in this case.

AB - The crystal structure of H3O+-exchanged pharmacosiderite (pharmacosiderite is KFe4(AsO4) 3(OH)4"¢nH2O, sensu stricto) has been determined by single-crystal X-ray diffraction and refined to R 1 = 0.0418. H3O+-exchanged pharmacosiderite, (H 3O+)Fe4(AsO4)3(OH) 4"¢4.5H2O, is cubic, space group P43m, with a = 7.982(9) ÃƒÂ…, V = 508.5(9) ÃƒÂ…3 and Z = 1. The structure broadly conforms to that of the general pharmacosiderite structure type, with the hydronium ion generated by partial protonation of a site corresponding to a molecule of water of crystallization and its symmetry-related equivalents. In addition, the structure of a "pharmacosiderite" from Cornwall, United Kingdom, in which no alkali metals could be detected, has been re-evaluated and found to be consistent with that of the H3O+ exchanged structure. Its composition is (H3O+)Fe 4(AsO4)3(OH)4"¢4H2O, with the partially occupied water found for the exchanged structure at (Â½, Â½, Â½) being absent in this case.

UR - http://handle.uws.edu.au:8081/1959.7/538609

M3 - Article

SN - 0026-461X

VL - 74

SP - 487

EP - 492

JO - Mineralogical Magazine

JF - Mineralogical Magazine

IS - 3

ER -

The structure of H3O+-exchanged pharmacosiderite

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