addenda and errata\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2052-5206

Structure and thermal behavior of the new superprotonic conductor Cs2(HSO4)(H2PO4). Erratum

aMaterials Science 138-78, California Institute of Technology, Pasadena, CA 91125, USA
*Correspondence e-mail: smhaile@its.caltech.edu

(Received 24 February 2000; accepted 24 February 2000)

Table 2[link] in the paper by Chisholm & Haile [(1999)[Chisholm, C. R. I. & Haile, S. M. (1999). Acta Cryst. B55, 937-946.], Acta Cryst. B55, 937–946] was printed incorrectly. The following is the correct version, including H-atom coordinates.

Table 2
Atomic coordinates and equivalent isotropic displacement parameters (Å2) for Cs2(HSO4)(H2PO4)

[\textstyle U_{\rm eq} = (1/3)\Sigma_i\Sigma_jU^{ij}a^ia^j{\bf a}_i.{\bf a}_j.]

  x y z Ueq
Cs(1) 0.7280 (1) 0.1588 (1) 0.1180 (1) 0.031 (1)
S/P 0.7565 (1) 0.1621 (1) -0.3887 (1) 0.022 (1)
O(1) 0.6584 (4) 0.0269 (3) 0.4937 (4) 0.032 (1)
O(2) 0.8377 (2) 0.2882 (2) -0.4882 (3) 0.034 (1)
O(3) 0.6287 (2) 0.2447 (2) -0.2880 (2) 0.033 (1)
O(4) 0.8930 (2) 0.0690 (3) -0.2607 (2) 0.039 (1)
H(1) 0.5387 (4) 0.0329 (6) 0.5012 (6) 0.080
H(2)§ 0.8558 (2) −0.0469 (3) −0.2449 (2) 0.080
†Fixed site occupancy of 0.5S and 0.5P.
‡Fixed site occupancy of 0.5.
§Probable neighboring interstitial site at 0.6482, 0.3470 and −0.2775.

References

First citationChisholm, C. R. I. & Haile, S. M. (1999). Acta Cryst. B55, 937–946.  Web of Science CrossRef CAS IUCr Journals Google Scholar

© International Union of Crystallography. Prior permission is not required to reproduce short quotations, tables and figures from this article, provided the original authors and source are cited. For more information, click here.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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