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Reinvestigation of KMg(1/3)Nb(2/3)OPO(4).

Babaryk AA, Bon V, Zatovsky IV, Slobodyanik NS, Pekhnyo V - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: Solid State Chem.102, 354-361], has been redetermined in the revised space group P4(1).Accordingly, the assignment of the space group P4(3)22 and, therefore, localization of K at a single half-occupied position, as noted in the previous study, proved to be an artifact.It has been shown that the geometry of the {M(II) (1/3)Nb(2/3)O(6/2)}(∞) framework is almost unaffected by the lowering of symmetry.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The crystal structure of potassium magnesium niobium oxide phosphate, KMg(1/3)Nb(2/3)OPO(4), which was described in the space group P4(3)22 [McCarron & Calabrese, (1993 ▶). J. Solid State Chem.102, 354-361], has been redetermined in the revised space group P4(1). Accordingly, the assignment of the space group P4(3)22 and, therefore, localization of K at a single half-occupied position, as noted in the previous study, proved to be an artifact. As a consequence, two major and two minor positions of K are observed due to the splitting along [001], as first noted for KTiOPO(4) structure analogues. It has been shown that the geometry of the {M(II) (1/3)Nb(2/3)O(6/2)}(∞) framework is almost unaffected by the lowering of symmetry.

No MeSH data available.


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Oxygen cages of K1A (a) and K1B (b). Short and long K–O contact are showed as solid lines and dashed lines, respecively. [Symmetry codes: (iv) y-1, -x+1, z-1/4; (v) y, -x+2, z-1/4;(vi) -x+1, -y+2, z-1/2; (vii) -x+1, -y+1, z-1/2; (viii) -y+1, x, z-3/4; (ix) y, -x+1, z-1/4
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Fap4: Oxygen cages of K1A (a) and K1B (b). Short and long K–O contact are showed as solid lines and dashed lines, respecively. [Symmetry codes: (iv) y-1, -x+1, z-1/4; (v) y, -x+2, z-1/4;(vi) -x+1, -y+2, z-1/2; (vii) -x+1, -y+1, z-1/2; (viii) -y+1, x, z-3/4; (ix) y, -x+1, z-1/4


Reinvestigation of KMg(1/3)Nb(2/3)OPO(4).

Babaryk AA, Bon V, Zatovsky IV, Slobodyanik NS, Pekhnyo V - Acta Crystallogr Sect E Struct Rep Online (2010)

Oxygen cages of K1A (a) and K1B (b). Short and long K–O contact are showed as solid lines and dashed lines, respecively. [Symmetry codes: (iv) y-1, -x+1, z-1/4; (v) y, -x+2, z-1/4;(vi) -x+1, -y+2, z-1/2; (vii) -x+1, -y+1, z-1/2; (viii) -y+1, x, z-3/4; (ix) y, -x+1, z-1/4
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2983719&req=5

Fap4: Oxygen cages of K1A (a) and K1B (b). Short and long K–O contact are showed as solid lines and dashed lines, respecively. [Symmetry codes: (iv) y-1, -x+1, z-1/4; (v) y, -x+2, z-1/4;(vi) -x+1, -y+2, z-1/2; (vii) -x+1, -y+1, z-1/2; (viii) -y+1, x, z-3/4; (ix) y, -x+1, z-1/4
Bottom Line: Solid State Chem.102, 354-361], has been redetermined in the revised space group P4(1).Accordingly, the assignment of the space group P4(3)22 and, therefore, localization of K at a single half-occupied position, as noted in the previous study, proved to be an artifact.It has been shown that the geometry of the {M(II) (1/3)Nb(2/3)O(6/2)}(∞) framework is almost unaffected by the lowering of symmetry.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The crystal structure of potassium magnesium niobium oxide phosphate, KMg(1/3)Nb(2/3)OPO(4), which was described in the space group P4(3)22 [McCarron & Calabrese, (1993 ▶). J. Solid State Chem.102, 354-361], has been redetermined in the revised space group P4(1). Accordingly, the assignment of the space group P4(3)22 and, therefore, localization of K at a single half-occupied position, as noted in the previous study, proved to be an artifact. As a consequence, two major and two minor positions of K are observed due to the splitting along [001], as first noted for KTiOPO(4) structure analogues. It has been shown that the geometry of the {M(II) (1/3)Nb(2/3)O(6/2)}(∞) framework is almost unaffected by the lowering of symmetry.

No MeSH data available.


Related in: MedlinePlus