Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
Eu(SO4)(OH) was obtained hydro­thermally from an aqueous solution of europium(III) nitrate, trimethyl­amine and sulfuric acid. The structure features nine-coordinated europium with sulfate and hydroxide anions acting as bridging ligands.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806049063/fi2020sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806049063/fi2020Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](S-O) = 0.005 Å
  • R factor = 0.022
  • wR factor = 0.052
  • Data-to-parameter ratio = 10.3

checkCIF/PLATON results

No syntax errors found



Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.291 0.408 Tmin and Tmax expected: 0.213 0.335 RR = 1.122 Please check that your absorption correction is appropriate. PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.13 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.82 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 37.58 Deg. O2 -S1 -EU1 1.555 1.555 3.665
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.822 Tmax scaled 0.335 Tmin scaled 0.239 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

Europium(III) sulfate hydroxide top
Crystal data top
Eu(SO4)(OH)F(000) = 480
Mr = 265.03Dx = 4.978 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 1879 reflections
a = 4.4195 (8) Åθ = 2.3–25.0°
b = 12.280 (2) ŵ = 18.21 mm1
c = 6.7919 (12) ÅT = 293 K
β = 106.389 (2)°Block, colourless
V = 353.64 (11) Å30.09 × 0.09 × 0.06 mm
Z = 4
Data collection top
Bruker APEX2 CCD
diffractometer
701 independent reflections
Radiation source: fine-focus sealed tube644 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
ω scansθmax = 26.0°, θmin = 3.3°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
h = 55
Tmin = 0.291, Tmax = 0.408k = 1215
1879 measured reflectionsl = 88
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.022Only H-atom coordinates refined
wR(F2) = 0.052 w = 1/[σ2(Fo2) + (0.0301P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max = 0.001
701 reflectionsΔρmax = 1.56 e Å3
68 parametersΔρmin = 0.89 e Å3
1 restraintExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0147 (9)
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Eu10.13996 (7)0.56254 (2)0.30108 (4)0.00844 (16)
S10.4833 (3)0.64754 (12)0.1085 (2)0.0081 (3)
O10.3645 (10)0.6662 (3)0.0677 (6)0.0128 (9)
O20.7563 (10)0.5700 (3)0.0482 (7)0.0116 (10)
O30.5925 (10)0.7491 (4)0.1761 (6)0.0132 (9)
O40.2439 (10)0.5979 (4)0.2804 (6)0.0145 (10)
O50.3050 (10)0.4169 (3)0.5414 (7)0.0107 (9)
H10.301 (16)0.352 (2)0.504 (10)0.013*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Eu10.0096 (2)0.0061 (2)0.0097 (2)0.00005 (11)0.00281 (13)0.00086 (11)
S10.0093 (8)0.0054 (7)0.0099 (7)0.0004 (5)0.0029 (6)0.0005 (5)
O10.016 (2)0.011 (2)0.013 (2)0.0011 (18)0.0073 (18)0.0040 (17)
O20.009 (2)0.008 (2)0.017 (2)0.0032 (15)0.0039 (19)0.0027 (16)
O30.017 (2)0.008 (2)0.016 (2)0.0020 (17)0.0060 (19)0.0014 (16)
O40.015 (2)0.014 (2)0.013 (2)0.0009 (18)0.0016 (18)0.0028 (18)
O50.012 (2)0.007 (2)0.012 (2)0.0025 (17)0.0007 (17)0.0012 (17)
Geometric parameters (Å, º) top
Eu1—O3i2.332 (4)S1—O31.457 (5)
Eu1—O52.393 (4)S1—O41.469 (4)
Eu1—O5ii2.397 (4)S1—O21.500 (4)
Eu1—O12.450 (4)S1—Eu1iv3.5167 (15)
Eu1—O2iii2.498 (5)O2—Eu1viii2.498 (5)
Eu1—O2iv2.501 (4)O2—Eu1iv2.501 (4)
Eu1—O5v2.503 (4)O3—Eu1ix2.332 (4)
Eu1—O4vi2.578 (5)O4—Eu1vi2.578 (5)
Eu1—O4vii2.782 (4)O4—Eu1x2.782 (4)
Eu1—S1iv3.5167 (15)O5—Eu1ii2.397 (4)
Eu1—Eu1v3.6162 (7)O5—Eu1v2.503 (4)
Eu1—Eu1ii3.8646 (7)O5—H10.84 (2)
S1—O11.455 (4)
O3i—Eu1—O5135.42 (15)O3i—Eu1—Eu1v108.39 (10)
O3i—Eu1—O5ii88.02 (14)O5—Eu1—Eu1v43.57 (10)
O5—Eu1—O5ii72.41 (17)O5ii—Eu1—Eu1v103.53 (10)
O3i—Eu1—O165.68 (14)O1—Eu1—Eu1v172.01 (10)
O5—Eu1—O1136.75 (15)O2iii—Eu1—Eu1v116.20 (10)
O5ii—Eu1—O171.56 (15)O2iv—Eu1—Eu1v113.86 (9)
O3i—Eu1—O2iii88.68 (14)O5v—Eu1—Eu1v41.21 (9)
O5—Eu1—O2iii132.05 (14)O4vi—Eu1—Eu1v50.01 (9)
O5ii—Eu1—O2iii139.03 (14)O4vii—Eu1—Eu1v45.22 (10)
O1—Eu1—O2iii69.94 (14)S1iv—Eu1—Eu1v105.31 (3)
O3i—Eu1—O2iv136.77 (14)O3i—Eu1—Eu1ii114.80 (11)
O5—Eu1—O2iv84.38 (14)O5—Eu1—Eu1ii36.24 (11)
O5ii—Eu1—O2iv90.72 (14)O5ii—Eu1—Eu1ii36.17 (10)
O1—Eu1—O2iv73.00 (13)O1—Eu1—Eu1ii104.76 (11)
O2iii—Eu1—O2iv65.08 (16)O2iii—Eu1—Eu1ii152.00 (9)
O3i—Eu1—O5v77.00 (14)O2iv—Eu1—Eu1ii86.97 (10)
O5—Eu1—O5v84.79 (14)O5v—Eu1—Eu1ii109.43 (10)
O5ii—Eu1—O5v128.83 (18)O4vi—Eu1—Eu1ii97.69 (10)
O1—Eu1—O5v137.26 (14)O4vii—Eu1—Eu1ii58.78 (9)
O2iii—Eu1—O5v89.86 (14)S1iv—Eu1—Eu1ii65.52 (3)
O2iv—Eu1—O5v132.68 (14)Eu1v—Eu1—Eu1ii72.338 (16)
O3i—Eu1—O4vi133.76 (15)O1—S1—O3110.7 (2)
O5—Eu1—O4vi62.29 (15)O1—S1—O4111.9 (3)
O5ii—Eu1—O4vi132.84 (14)O3—S1—O4109.5 (3)
O1—Eu1—O4vi137.92 (14)O1—S1—O2108.9 (3)
O2iii—Eu1—O4vi73.53 (13)O3—S1—O2108.5 (2)
O2iv—Eu1—O4vi73.18 (14)O4—S1—O2107.3 (3)
O5v—Eu1—O4vi61.06 (13)O1—S1—Eu1iv137.75 (19)
O3i—Eu1—O4vii76.66 (14)O3—S1—Eu1iv106.07 (18)
O5—Eu1—O4vii59.28 (14)O4—S1—Eu1iv73.16 (18)
O5ii—Eu1—O4vii70.99 (14)O2—S1—Eu1iv37.58 (18)
O1—Eu1—O4vii126.83 (14)S1—O1—Eu1139.2 (2)
O2iii—Eu1—O4vii146.77 (13)S1—O2—Eu1viii124.1 (2)
O2iv—Eu1—O4vii142.54 (14)S1—O2—Eu1iv121.0 (3)
O5v—Eu1—O4vii58.03 (14)Eu1viii—O2—Eu1iv114.92 (16)
O4vi—Eu1—O4vii95.23 (13)S1—O3—Eu1ix156.0 (3)
O3i—Eu1—S1iv144.42 (11)S1—O4—Eu1vi132.5 (3)
O5—Eu1—S1iv67.66 (10)S1—O4—Eu1x138.7 (3)
O5ii—Eu1—S1iv73.22 (10)Eu1vi—O4—Eu1x84.77 (13)
O1—Eu1—S1iv79.62 (10)Eu1—O5—Eu1ii107.59 (16)
O2iii—Eu1—S1iv86.54 (10)Eu1—O5—Eu1v95.21 (14)
O2iv—Eu1—S1iv21.46 (10)Eu1ii—O5—Eu1v128.83 (18)
O5v—Eu1—S1iv138.14 (10)Eu1—O5—H1122 (5)
O4vi—Eu1—S1iv78.03 (10)Eu1ii—O5—H1100 (5)
O4vii—Eu1—S1iv122.37 (10)Eu1v—O5—H1106 (4)
Symmetry codes: (i) x1/2, y+3/2, z+1/2; (ii) x+1, y+1, z+1; (iii) x1, y, z; (iv) x+1, y+1, z; (v) x, y+1, z+1; (vi) x, y+1, z; (vii) x, y, z+1; (viii) x+1, y, z; (ix) x+1/2, y+3/2, z1/2; (x) x, y, z1.
 

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds