(IUCr) CsMgPO4

Volume 65
Part 8
Page i58
August 2009

Received 26 June 2009
Accepted 1 July 2009
Online 4 July 2009

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (P-O) = 0.001 Å
R = 0.021
wR = 0.047
Data-to-parameter ratio = 27.7
Details

CsMgPO₄

Nataliya Yu. Strutynska,^a ^* Igor V. Zatovsky,^a Vyacheslav N. Baumer ^b and Nikolay S. Slobodyanik ^a

^aDepartment of Inorganic Chemistry, Taras Shevchenko National University, 64 Volodymyrska Street, 01601 Kyiv, Ukraine, and ^bSTC `Institute for Single Crystals', NAS of Ukraine, 60 Lenin Avenue, 61001 Kharkiv, Ukraine
Correspondence e-mail: Strutynska_N@bigmir.net

Caesium magnesium orthophosphate is built up from MgO₄ and PO₄ tetrahedra (both with . m. symmetry) linked together by corners, forming a three-dimensional framework. The Cs atoms have .m. site symmetry and are located in hexagonal channels running along the a- and b-axis directions.

Related literature

For the properties of double phosphates A^IB^IIPO₄ (A^I = alkali metal; B^II = Ca, Sr, Ba, Zn, Cd, Pb) such as ferroelectric and non-linear optical behaviour, see: Blum et al. (1984); Elouadi et al. (1984); Sawada et al. (2003). Several polymorphs have been found among orthophosphates containing Cs and divalent metals, see: Blum et al. (1986) for CsZnPO₄. In contrast, CsMnPO₄ occurs in only one type, see: Yakubovich et al. (1990). The title compound is isotypic with the Pnma form of CsZnPO₄. For related structures, see: Yakubovich et al. (1990); Blum et al. (1986); Zaripov et al. (2008).

Experimental

Crystal data

CsMgPO₄
M_r = 252.19
Orthorhombic, P n m a
a = 8.9327 (2) Å
b = 5.5277 (2) Å
c = 9.6487 (3) Å
V = 476.43 (3) Å³
Z = 4
Mo K radiation
= 8.13 mm^-1
T = 293 K
0.12 × 0.10 × 0.08 mm

Data collection

Oxford Diffraction Xcalibur-3 diffractometer
Absorption correction: multi-scan (Blessing, 1995) T_min = 0.413, T_max = 0.503
8753 measured reflections
1137 independent reflections
874 reflections with I > 2(I)
R_int = 0.027

Refinement

R[F² > 2(F²)] = 0.021
wR(F²) = 0.047
S = 1.00
1137 reflections
41 parameters
_max = 1.23 e Å^-3
_min = -1.02 e Å^-3

Table 1
Selected bond lengths (Å)

Cs1-O2	3.1951 (9)
Cs1-O2ⁱ	3.2166 (9)
Cs1-O3ⁱⁱ	3.4476 (11)
Cs1-O1ⁱ	3.5224 (11)
Cs1-O1ⁱⁱ	3.6496 (11)
Cs1-O3ⁱⁱⁱ	3.6968 (18)
Mg1-O1	1.8847 (13)
Mg1-O3^iv	1.8932 (13)
Mg1-O2^v	1.9228 (8)
P1-O1	1.5056 (13)
P1-O3	1.5138 (13)
P1-O2	1.5249 (8)
Symmetry codes: (i) -x+1, -y, -z+1; (ii) $[-x+{\script{1\over 2}}, -y+1, z+{\script{1\over 2}}]$ ; (iii) $[x+{\script{1\over 2}}, y, -z+{\script{3\over 2}}]$ ; (iv) $[x+{\script{1\over 2}}, y, -z+{\script{1\over 2}}]$ ; (v) $[-x+{\script{1\over 2}}, -y, z-{\script{1\over 2}}]$ .

Data collection: CrysAlis CCD (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]$ ); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]$ ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: WinGX (Farrugia, 1999) and enCIFer (Allen et al., 2004).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: MG2075 ).

Acknowledgements

The authors acknowledge the ICDD for financial support (grant No. 03-02).

References

Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M. (2004). J. Appl. Cryst. 37, 335-338.
Blessing, R. H. (1995). Acta Cryst. A51, 33-38.
Blum, D., Durif, A. & Averbuch-Pouchot, M. T. (1986). Ferroelectrics, 69, 283-292.
Blum, D., Peuzin, J. C. & Henry, J. Y. (1984). Ferroelectrics, 61, 265-279.
Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Elouadi, B., Elammari, L. & Ravez, J. (1984). Ferroelectrics, 56, 1021-1024.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.
Sawada, A., Azumi, T., Ono, T., Aoyagi, S. & Kuroiwa, Y. (2003). Ferroelectrics, 291, 3-10.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Yakubovich, O. V., Simonov, M. A. & Mel'nikov, O. K. (1990). Z. Kristallogr. 35, 42-46.
Zaripov, A. R., Asabina, E. A., Pet'kov, V. I., Kurazhkovskaya, V. S., Stefanovich, S. Yu. & Rovny, S. I. (2008). Russ. J. Inorg. Chem. 53, 861-866.

inorganic compounds

CsMgPO4