Crystal structure of tetrawickmanite, Mn<sup>2+</sup>Sn<sup>4+</sup>(OH)<inf>6</inf>

Barbara Lafuente, Hexiong Yang, Robert T Downs, M. Weil

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

The crystal structure of tetrawickmanite, ideally Mn<sup>2+</sup>Sn<sup>4+</sup>(OH)<inf>6</inf> [mangan-ese(II) tin(IV) hexahydroxide], has been determined based on single-crystal X-ray diffraction data collected from a natural sample from LÅngban, Sweden. Tetrawickmanite belongs to the octahedral-framework group of hydroxide-perovskite minerals, described by the general formula BB′(OH)<inf>6</inf> with a perovskite derivative structure. The structure differs from that of an ABO<inf>3</inf> perovskite in that the A site is empty while each O atom is bonded to an H atom. The perovskite B-type cations split into ordered B and B′ sites, which are occupied by Mn<sup>2+</sup> and Sn<sup>4+</sup>, respectively. Tetrawickmanite exhibits tetragonal symmetry and is topologically similar to its cubic polymorph, wickmanite. The tetrawickmanite structure is characterized by a framework of alternating corner-linked [Mn<sup>2+</sup>(OH)<inf>6</inf>] and [Sn<sup>4+</sup>(OH)<inf>6</inf>] octahedra, both with point-group symmetry 1¯. Four of the five distinct H atoms in the structure are statistically disordered. The vacant A site is in a cavity in the centre of a distorted cube formed by eight octahedra at the corners. However, the hydrogen-atom positions and their hydrogen bonds are not equivalent in every cavity, resulting in two distinct environments. One of the cavities contains a ring of four hydrogen bonds, similar to that found in wickmanite, while the other cavity is more distorted and forms crankshaft-type chains of hydrogen bonds, as previously proposed for tetragonal stottite, Fe<sup>2+</sup>Ge<sup>4+</sup>(OH)<inf>6</inf>.

Original languageEnglish (US)
Pages (from-to)234-237
Number of pages4
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number2
DOIs
StatePublished - Feb 1 2015

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Perovskite
Crystal structure
Atoms
Hydrogen bonds
cavities
crystal structure
hydrogen bonds
Point groups
atoms
Crankshafts
Tin
Sweden
Crystal symmetry
symmetry
Polymorphism
hydroxides
Minerals
Cations
Hydrogen
hydrogen atoms

Keywords

  • Crystal structure
  • Mineral structure
  • Polymorphism
  • Tetrawickmanite

ASJC Scopus subject areas

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

Cite this

Crystal structure of tetrawickmanite, Mn<sup>2+</sup>Sn<sup>4+</sup>(OH)<inf>6</inf> / Lafuente, Barbara; Yang, Hexiong; Downs, Robert T; Weil, M.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 2, 01.02.2015, p. 234-237.

Research output: Contribution to journalArticle

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abstract = "The crystal structure of tetrawickmanite, ideally Mn2+Sn4+(OH)6 [mangan-ese(II) tin(IV) hexahydroxide], has been determined based on single-crystal X-ray diffraction data collected from a natural sample from L{\AA}ngban, Sweden. Tetrawickmanite belongs to the octahedral-framework group of hydroxide-perovskite minerals, described by the general formula BB′(OH)6 with a perovskite derivative structure. The structure differs from that of an ABO3 perovskite in that the A site is empty while each O atom is bonded to an H atom. The perovskite B-type cations split into ordered B and B′ sites, which are occupied by Mn2+ and Sn4+, respectively. Tetrawickmanite exhibits tetragonal symmetry and is topologically similar to its cubic polymorph, wickmanite. The tetrawickmanite structure is characterized by a framework of alternating corner-linked [Mn2+(OH)6] and [Sn4+(OH)6] octahedra, both with point-group symmetry 1¯. Four of the five distinct H atoms in the structure are statistically disordered. The vacant A site is in a cavity in the centre of a distorted cube formed by eight octahedra at the corners. However, the hydrogen-atom positions and their hydrogen bonds are not equivalent in every cavity, resulting in two distinct environments. One of the cavities contains a ring of four hydrogen bonds, similar to that found in wickmanite, while the other cavity is more distorted and forms crankshaft-type chains of hydrogen bonds, as previously proposed for tetragonal stottite, Fe2+Ge4+(OH)6.",
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N2 - The crystal structure of tetrawickmanite, ideally Mn2+Sn4+(OH)6 [mangan-ese(II) tin(IV) hexahydroxide], has been determined based on single-crystal X-ray diffraction data collected from a natural sample from LÅngban, Sweden. Tetrawickmanite belongs to the octahedral-framework group of hydroxide-perovskite minerals, described by the general formula BB′(OH)6 with a perovskite derivative structure. The structure differs from that of an ABO3 perovskite in that the A site is empty while each O atom is bonded to an H atom. The perovskite B-type cations split into ordered B and B′ sites, which are occupied by Mn2+ and Sn4+, respectively. Tetrawickmanite exhibits tetragonal symmetry and is topologically similar to its cubic polymorph, wickmanite. The tetrawickmanite structure is characterized by a framework of alternating corner-linked [Mn2+(OH)6] and [Sn4+(OH)6] octahedra, both with point-group symmetry 1¯. Four of the five distinct H atoms in the structure are statistically disordered. The vacant A site is in a cavity in the centre of a distorted cube formed by eight octahedra at the corners. However, the hydrogen-atom positions and their hydrogen bonds are not equivalent in every cavity, resulting in two distinct environments. One of the cavities contains a ring of four hydrogen bonds, similar to that found in wickmanite, while the other cavity is more distorted and forms crankshaft-type chains of hydrogen bonds, as previously proposed for tetragonal stottite, Fe2+Ge4+(OH)6.

AB - The crystal structure of tetrawickmanite, ideally Mn2+Sn4+(OH)6 [mangan-ese(II) tin(IV) hexahydroxide], has been determined based on single-crystal X-ray diffraction data collected from a natural sample from LÅngban, Sweden. Tetrawickmanite belongs to the octahedral-framework group of hydroxide-perovskite minerals, described by the general formula BB′(OH)6 with a perovskite derivative structure. The structure differs from that of an ABO3 perovskite in that the A site is empty while each O atom is bonded to an H atom. The perovskite B-type cations split into ordered B and B′ sites, which are occupied by Mn2+ and Sn4+, respectively. Tetrawickmanite exhibits tetragonal symmetry and is topologically similar to its cubic polymorph, wickmanite. The tetrawickmanite structure is characterized by a framework of alternating corner-linked [Mn2+(OH)6] and [Sn4+(OH)6] octahedra, both with point-group symmetry 1¯. Four of the five distinct H atoms in the structure are statistically disordered. The vacant A site is in a cavity in the centre of a distorted cube formed by eight octahedra at the corners. However, the hydrogen-atom positions and their hydrogen bonds are not equivalent in every cavity, resulting in two distinct environments. One of the cavities contains a ring of four hydrogen bonds, similar to that found in wickmanite, while the other cavity is more distorted and forms crankshaft-type chains of hydrogen bonds, as previously proposed for tetragonal stottite, Fe2+Ge4+(OH)6.

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