Robertsite, Ca2MnIII3O2(PO 4)3·3H2O

Marcelo B. Andrade, Shaunna M. Morrison, Adrien J. Di Domizio, Mark N. Feinglos, Robert T Downs

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Robertsite, ideally Ca2Mn3O2(PO 4)3·3H2O [calcium manganese(III) tris(orthophosphate) trihydrate], can be associated with the arseniosiderite structural group characterized by the general formula Ca2A 3O2(TO4)3·H2O, with A = Fe, Mn; T = As, P; and n = 2 or 3. In this study, single-crystal X-ray diffraction data were used to determine the robertsite structure from a twinned crystal from the type locality, the Tip Top mine, Custer County, South Dakota, USA, and to refine anisotropic displacement parameters for all atoms. The general structural feature of robertsite resembles that of the other two members of the arseniosiderite group, the structures of which have previously been reported. It is characterized by sheets of [MnO6] octahedra in the form of nine-membered pseudo-trigonal rings. Located at the center of each ninemembered ring is a PO4 tetrahedron, and the other eight PO 4 tetrahedra sandwich the Mn-oxide sheets. The six different Ca 2+ ions are seven-coordinated in form of distorted pentagonal bipyramids, [CaO5(H2O)2], if Ca-O distances less than 2.85 A are considered. Along with hydrogen bonding involving the water molecules, they hold the manganese-phosphate sheets together. All nine [MnO6] octahedra are distorted by the Jahn-Teller effect.

Original languageEnglish (US)
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number10
DOIs
StatePublished - Oct 2012

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Jahn-Teller effect
Manganese
Oxides
Hydrogen bonds
Phosphates
Single crystals
Ions
Calcium
X ray diffraction
tetrahedrons
Atoms
Crystals
Molecules
Water
manganese
rings
calcium
phosphates
oxides
single crystals

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

Robertsite, Ca2MnIII3O2(PO 4)3·3H2O. / Andrade, Marcelo B.; Morrison, Shaunna M.; Di Domizio, Adrien J.; Feinglos, Mark N.; Downs, Robert T.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 68, No. 10, 10.2012.

Research output: Contribution to journalArticle

Andrade, Marcelo B. ; Morrison, Shaunna M. ; Di Domizio, Adrien J. ; Feinglos, Mark N. ; Downs, Robert T. / Robertsite, Ca2MnIII3O2(PO 4)3·3H2O. In: Acta Crystallographica Section E: Structure Reports Online. 2012 ; Vol. 68, No. 10.
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abstract = "Robertsite, ideally Ca2Mn3O2(PO 4)3·3H2O [calcium manganese(III) tris(orthophosphate) trihydrate], can be associated with the arseniosiderite structural group characterized by the general formula Ca2A 3O2(TO4)3·H2O, with A = Fe, Mn; T = As, P; and n = 2 or 3. In this study, single-crystal X-ray diffraction data were used to determine the robertsite structure from a twinned crystal from the type locality, the Tip Top mine, Custer County, South Dakota, USA, and to refine anisotropic displacement parameters for all atoms. The general structural feature of robertsite resembles that of the other two members of the arseniosiderite group, the structures of which have previously been reported. It is characterized by sheets of [MnO6] octahedra in the form of nine-membered pseudo-trigonal rings. Located at the center of each ninemembered ring is a PO4 tetrahedron, and the other eight PO 4 tetrahedra sandwich the Mn-oxide sheets. The six different Ca 2+ ions are seven-coordinated in form of distorted pentagonal bipyramids, [CaO5(H2O)2], if Ca-O distances less than 2.85 A are considered. Along with hydrogen bonding involving the water molecules, they hold the manganese-phosphate sheets together. All nine [MnO6] octahedra are distorted by the Jahn-Teller effect.",
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