[Journal logo]

Volume 69 
Part 11 
Pages i73-i74  
November 2013  

Received 26 September 2013
Accepted 27 September 2013
Online 2 October 2013

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](As-O) = 0.001 Å
R = 0.025
wR = 0.032
Data-to-parameter ratio = 47.8
Details
Open access

RbH2AsO4

aInstitute for Chemical Technologies and Analytics, Division of Structural Chemistry, Vienna University of Technology, Getreidemarkt 9/164-SC, A-1060 Vienna, Austria
Correspondence e-mail: bstoeger@mail.tuwien.ac.at

RbH2AsO4, rubidium di­hydrogenarsenate (RDA), was synthesized by partial neutralization of an aqueous H3AsO4 solution with aqueous Rb2CO3. Its paraelectric room-temperature phase is composed of virtually regular tetra­hedral [AsO2(OH)2]- anions and Rb+ cations, both located on -4 positions. The [AsO2(OH)2] units are connected via O-H...O hydrogen bonds into a three-dimensional network, whereby the H atoms are equally disordered between the O atoms. The Rb+ cations are located in channels running along the <100> directions and coordinated by eight O atoms located at the vertices of a snub disphenoid.

Related literature

For isotypic phases, see: Al-Karaghouli et al. (1978[Al-Karaghouli, A. R., Abdul-Wahab, B., Ajaj, E. & Sequeira, A. (1978). Acta Cryst. B34, 1040-1042.]); Delain (1958[Delain, C. (1958). Acad Des Sci. C. R. 247, 1451-1452.]); Ferrari et al. (1956[Ferrari, A., Nardelli, M. & Cingli, M. (1956). Gazz. Chim. Ital. 86, 1174-1180.]); Helmholtz & Levine (1942[Helmholtz, L. & Levine, R. (1942). J. Am. Chem. Soc. 64, 354-358.]); Novotny & Szekely (1952[Novotny, H. N. & Szekely, G. (1952). Monatsh. Chem. 83, 568-582.]); West (1930[West, J. (1930). Z. Kristallogr. 74, 306-335.]); Tenzer et al. (1958[Tenzer, L., Frazer, B. C. & Pepinsky, R. (1958). Acta Cryst. 11, 505-509.]). For related phases, see: Stöger et al. (2012[Stöger, B., Weil, M. & Zobetz, E. (2012). Z. Kristallogr. 227, 859-868.]). For isoformular phases crystallizing in a different structure type, viz.LiH2PO4, see: Catti & Ivaldi (1977[Catti, M. & Ivaldi, G. (1977). Z. Kristallogr. 146, 215-226.]); Catti & Ferraris (1974[Catti, M. & Ferraris, G. (1974). Acta Cryst. B30, 1-6.]); Nelmes & Choudhary (1978[Nelmes, R. J. & Choudhary, R. N. P. (1978). Solid State Commun. 26, 823-826.]); Fanchon et al. (1987[Fanchon, E., Vicat, J., Tran Qui, D. & Boudjada, A. (1987). Acta Cryst. C43, 1022-1025.]). For phase transition, see: Fairall & Reese (1974[Fairall, C. W. & Reese, W. (1974). Phys. Rev. B, 10, 882-885.]). For physical properties of RDA and isotypic analogs, see: Ichikawa et al. (2001[Ichikawa, M., Amasaki, D., Gustafsson, T. & Olovsson, I. (2001). Phys. Rev. B, 64, 100101-1-100101-4.]); Shen (1984[Shen, Y. R. (1984). In The Principles of the Nonlinear Optics. New York: Wiley.]); Negres et al. (2005[Negres, R. A., Kucheyev, S. O., DeMange, P., Bostedt, C., van Buuren, T., Nelson, A. J. & Demos, S. G. (2005). Appl. Phys. Lett. 86, 171107-1-171107-3.]). For crystal growth, see: Rashkovich (1991[Rashkovich, L. N. (1991). In KDP-family Single Crystals. London: Taylor & Francis.]). For bond-valence analyses, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]). The extinction correction is described by Becker & Coppens (1974[Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30, 129-147.]).

Experimental

Crystal data
  • RbH2AsO4

  • Mr = 226.4

  • Tetragonal, [I \overline 42d ]

  • a = 7.7865 (9) Å

  • c = 7.466 (2) Å

  • V = 452.64 (14) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 18.07 mm-1

  • T = 295 K

  • 0.50 × 0.29 × 0.27 mm

Data collection
  • Bruker Kappa APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2013[Bruker (2013). SAINT-Plus, APEX2 and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.004, Tmax = 0.009

  • 9202 measured reflections

  • 955 independent reflections

  • 567 reflections with I > 3[sigma](I)

  • Rint = 0.076

Refinement
  • R[F2 > 2[sigma](F2)] = 0.025

  • wR(F2) = 0.032

  • S = 1.25

  • 955 reflections

  • 20 parameters

  • 1 restraint

  • All H-atom parameters refined

  • [Delta][rho]max = 1.02 e Å-3

  • [Delta][rho]min = -0.53 e Å-3

  • Absolute structure: Flack (1983)[Flack, H. D. (1983). Acta Cryst. A39, 876-881.], 409 Friedel pairs

  • Absolute structure parameter: -0.010 (13)

Table 1
Selected geometric parameters (Å, °)

Rb-O 3.0890 (17)
Rb-Oi 2.9304 (12)
As-O 1.6828 (11)
O-As-Oii 109.80 (5)
O-As-Oiii 109.31 (5)
Symmetry codes: (i) [-x+{\script{1\over 2}}, y, -z+{\script{3\over 4}}]; (ii) -x, -y, z; (iii) y, -x, -z.

Data collection: APEX2 (Bruker, 2013[Bruker (2013). SAINT-Plus, APEX2 and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2013[Bruker (2013). SAINT-Plus, APEX2 and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; program(s) used to refine structure: JANA2006 (Petrícek et al., 2006[Petrícek, V., Dusek, M. & Palatinus, L. (2006). JANA2006. Institute of Physics, Praha, Czech Republic.]); molecular graphics: ATOMS (Dowty, 2006[Dowty, E. (2006). ATOMS. Shape Software, Kingsport, Tennessee, USA.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PK2499 ).


Acknowledgements

The X-ray Centre of the Vienna University of Technology is acknowledged for providing access to the single-crystal diffractometer and for financial support.

References

Al-Karaghouli, A. R., Abdul-Wahab, B., Ajaj, E. & Sequeira, A. (1978). Acta Cryst. B34, 1040-1042.  [CrossRef] [IUCr Journals]
Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30, 129-147.  [CrossRef] [IUCr Journals]
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [Web of Science] [IUCr Journals]
Bruker (2013). SAINT-Plus, APEX2 and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Catti, M. & Ferraris, G. (1974). Acta Cryst. B30, 1-6.  [CrossRef] [ChemPort] [IUCr Journals]
Catti, M. & Ivaldi, G. (1977). Z. Kristallogr. 146, 215-226.  [CrossRef]
Delain, C. (1958). Acad Des Sci. C. R. 247, 1451-1452.  [ChemPort]
Dowty, E. (2006). ATOMS. Shape Software, Kingsport, Tennessee, USA.
Fairall, C. W. & Reese, W. (1974). Phys. Rev. B, 10, 882-885.  [CrossRef] [ChemPort]
Fanchon, E., Vicat, J., Tran Qui, D. & Boudjada, A. (1987). Acta Cryst. C43, 1022-1025.  [CrossRef] [IUCr Journals]
Ferrari, A., Nardelli, M. & Cingli, M. (1956). Gazz. Chim. Ital. 86, 1174-1180.  [ChemPort]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [IUCr Journals]
Helmholtz, L. & Levine, R. (1942). J. Am. Chem. Soc. 64, 354-358.
Ichikawa, M., Amasaki, D., Gustafsson, T. & Olovsson, I. (2001). Phys. Rev. B, 64, 100101-1-100101-4.
Negres, R. A., Kucheyev, S. O., DeMange, P., Bostedt, C., van Buuren, T., Nelson, A. J. & Demos, S. G. (2005). Appl. Phys. Lett. 86, 171107-1-171107-3.
Nelmes, R. J. & Choudhary, R. N. P. (1978). Solid State Commun. 26, 823-826.  [CrossRef] [ChemPort] [Web of Science]
Novotny, H. N. & Szekely, G. (1952). Monatsh. Chem. 83, 568-582.
Petrícek, V., Dusek, M. & Palatinus, L. (2006). JANA2006. Institute of Physics, Praha, Czech Republic.
Rashkovich, L. N. (1991). In KDP-family Single Crystals. London: Taylor & Francis.
Shen, Y. R. (1984). In The Principles of the Nonlinear Optics. New York: Wiley.
Stöger, B., Weil, M. & Zobetz, E. (2012). Z. Kristallogr. 227, 859-868.
Tenzer, L., Frazer, B. C. & Pepinsky, R. (1958). Acta Cryst. 11, 505-509.  [CrossRef] [ChemPort] [IUCr Journals]
West, J. (1930). Z. Kristallogr. 74, 306-335.  [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, i73-i74   [ doi:10.1107/S1600536813026676 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.