Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite

Hexiong Yang; Justin Zwick; Robert T. Downs; Gelu Costin

doi:10.1107/S0108270107041169

Isokite, CaMg(PO₄₎F_0.8(OH)_0.2, isomorphous with titanite

Hexiong Yang
, Justin Zwick
, Robert T. Downs
, Gelu Costin

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

4 Scopus citations

Abstract

This study presents the first structural report of natural isokite (calcium magnesium phosphate fluoride), with the formula CaMg(PO4)F0.8(OH)0.2 (i.e. some substitution of OH for F), based on single-crystal X-ray diffraction data. Isokite belongs to the C2/c titanite mineral group, in which Mg is on an inversion centre and the Ca, P and F/OH atoms are on twofold axes. The structure is composed of kinked chains of corner-sharing MgO4F2 octa-hedra that are crosslinked by isolated PO4 tetra-hedra, forming a three-dimensional polyhedral network. The Ca²⁺ cations occupy the inter-stitial sites, coordinated by six O atoms and one F anion.

Original language	English (US)
Pages (from-to)	i89-i90
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	63
Issue number	10
DOIs	https://doi.org/10.1107/S0108270107041169
State	Published - Sep 22 2007
Externally published	Yes

ASJC Scopus subject areas

General Biochemistry, Genetics and Molecular Biology

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title = "Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite",

abstract = "This study presents the first structural report of natural isokite (calcium magnesium phosphate fluoride), with the formula CaMg(PO4)F0.8(OH)0.2 (i.e. some substitution of OH for F), based on single-crystal X-ray diffraction data. Isokite belongs to the C2/c titanite mineral group, in which Mg is on an inversion centre and the Ca, P and F/OH atoms are on twofold axes. The structure is composed of kinked chains of corner-sharing MgO4F2 octa-hedra that are crosslinked by isolated PO4 tetra-hedra, forming a three-dimensional polyhedral network. The Ca2+ cations occupy the inter-stitial sites, coordinated by six O atoms and one F anion.",

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T1 - Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite

AU - Yang, Hexiong

AU - Zwick, Justin

AU - Downs, Robert T.

AU - Costin, Gelu

PY - 2007/9/22

Y1 - 2007/9/22

N2 - This study presents the first structural report of natural isokite (calcium magnesium phosphate fluoride), with the formula CaMg(PO4)F0.8(OH)0.2 (i.e. some substitution of OH for F), based on single-crystal X-ray diffraction data. Isokite belongs to the C2/c titanite mineral group, in which Mg is on an inversion centre and the Ca, P and F/OH atoms are on twofold axes. The structure is composed of kinked chains of corner-sharing MgO4F2 octa-hedra that are crosslinked by isolated PO4 tetra-hedra, forming a three-dimensional polyhedral network. The Ca2+ cations occupy the inter-stitial sites, coordinated by six O atoms and one F anion.

AB - This study presents the first structural report of natural isokite (calcium magnesium phosphate fluoride), with the formula CaMg(PO4)F0.8(OH)0.2 (i.e. some substitution of OH for F), based on single-crystal X-ray diffraction data. Isokite belongs to the C2/c titanite mineral group, in which Mg is on an inversion centre and the Ca, P and F/OH atoms are on twofold axes. The structure is composed of kinked chains of corner-sharing MgO4F2 octa-hedra that are crosslinked by isolated PO4 tetra-hedra, forming a three-dimensional polyhedral network. The Ca2+ cations occupy the inter-stitial sites, coordinated by six O atoms and one F anion.

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DO - 10.1107/S0108270107041169

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JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

IS - 10

ER -

Isokite, CaMg(PO₄₎F_0.8(OH)_0.2, isomorphous with titanite

Abstract

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