Europium(III) sulfate hydroxide

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.

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

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Computing details

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

Crystal data

Eu(SO4)(OH)	F(000) = 480
Mr = 265.03	Dx = 4.978 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 1879 reflections
a = 4.4195 (8) Å	θ = 2.3–25.0°
b = 12.280 (2) Å	µ = 18.21 mm^−1
c = 6.7919 (12) Å	T = 293 K
β = 106.389 (2)°	Block, colourless
V = 353.64 (11) Å^3	0.09 × 0.09 × 0.06 mm
Z = 4

Data collection

Bruker APEX2 CCD diffractometer	701 independent reflections
Radiation source: fine-focus sealed tube	644 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.026
ω scans	θmax = 26.0°, θmin = 3.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −5→5
Tmin = 0.291, Tmax = 0.408	k = −12→15
1879 measured reflections	l = −8→8

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.022	Only H-atom coordinates refined
wR(F^2) = 0.052	w = 1/[σ^2(Fo^2) + (0.0301P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max = 0.001
701 reflections	Δρmax = 1.56 e Å^−3
68 parameters	Δρmin = −0.89 e Å^−3
1 restraint	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0147 (9)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Eu1	0.13996 (7)	0.56254 (2)	0.30108 (4)	0.00844 (16)
S1	0.4833 (3)	0.64754 (12)	−0.1085 (2)	0.0081 (3)
O1	0.3645 (10)	0.6662 (3)	0.0677 (6)	0.0128 (9)
O2	0.7563 (10)	0.5700 (3)	−0.0482 (7)	0.0116 (10)
O3	0.5925 (10)	0.7491 (4)	−0.1761 (6)	0.0132 (9)
O4	0.2439 (10)	0.5979 (4)	−0.2804 (6)	0.0145 (10)
O5	0.3050 (10)	0.4169 (3)	0.5414 (7)	0.0107 (9)
H1	0.301 (16)	0.352 (2)	0.504 (10)	0.013*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Eu1	0.0096 (2)	0.0061 (2)	0.0097 (2)	−0.00005 (11)	0.00281 (13)	0.00086 (11)
S1	0.0093 (8)	0.0054 (7)	0.0099 (7)	−0.0004 (5)	0.0029 (6)	0.0005 (5)
O1	0.016 (2)	0.011 (2)	0.013 (2)	−0.0011 (18)	0.0073 (18)	−0.0040 (17)
O2	0.009 (2)	0.008 (2)	0.017 (2)	0.0032 (15)	0.0039 (19)	0.0027 (16)
O3	0.017 (2)	0.008 (2)	0.016 (2)	0.0020 (17)	0.0060 (19)	0.0014 (16)
O4	0.015 (2)	0.014 (2)	0.013 (2)	0.0009 (18)	0.0016 (18)	−0.0028 (18)
O5	0.012 (2)	0.007 (2)	0.012 (2)	0.0025 (17)	0.0007 (17)	−0.0012 (17)

Geometric parameters (Å, º)

Eu1—O3^i	2.332 (4)	S1—O3	1.457 (5)
Eu1—O5	2.393 (4)	S1—O4	1.469 (4)
Eu1—O5^ii	2.397 (4)	S1—O2	1.500 (4)
Eu1—O1	2.450 (4)	S1—Eu1^iv	3.5167 (15)
Eu1—O2^iii	2.498 (5)	O2—Eu1^viii	2.498 (5)
Eu1—O2^iv	2.501 (4)	O2—Eu1^iv	2.501 (4)
Eu1—O5^v	2.503 (4)	O3—Eu1^ix	2.332 (4)
Eu1—O4^vi	2.578 (5)	O4—Eu1^vi	2.578 (5)
Eu1—O4^vii	2.782 (4)	O4—Eu1^x	2.782 (4)
Eu1—S1^iv	3.5167 (15)	O5—Eu1^ii	2.397 (4)
Eu1—Eu1^v	3.6162 (7)	O5—Eu1^v	2.503 (4)
Eu1—Eu1^ii	3.8646 (7)	O5—H1	0.84 (2)
S1—O1	1.455 (4)
O3^i—Eu1—O5	135.42 (15)	O3^i—Eu1—Eu1^v	108.39 (10)
O3^i—Eu1—O5^ii	88.02 (14)	O5—Eu1—Eu1^v	43.57 (10)
O5—Eu1—O5^ii	72.41 (17)	O5^ii—Eu1—Eu1^v	103.53 (10)
O3^i—Eu1—O1	65.68 (14)	O1—Eu1—Eu1^v	172.01 (10)
O5—Eu1—O1	136.75 (15)	O2^iii—Eu1—Eu1^v	116.20 (10)
O5^ii—Eu1—O1	71.56 (15)	O2^iv—Eu1—Eu1^v	113.86 (9)
O3^i—Eu1—O2^iii	88.68 (14)	O5^v—Eu1—Eu1^v	41.21 (9)
O5—Eu1—O2^iii	132.05 (14)	O4^vi—Eu1—Eu1^v	50.01 (9)
O5^ii—Eu1—O2^iii	139.03 (14)	O4^vii—Eu1—Eu1^v	45.22 (10)
O1—Eu1—O2^iii	69.94 (14)	S1^iv—Eu1—Eu1^v	105.31 (3)
O3^i—Eu1—O2^iv	136.77 (14)	O3^i—Eu1—Eu1^ii	114.80 (11)
O5—Eu1—O2^iv	84.38 (14)	O5—Eu1—Eu1^ii	36.24 (11)
O5^ii—Eu1—O2^iv	90.72 (14)	O5^ii—Eu1—Eu1^ii	36.17 (10)
O1—Eu1—O2^iv	73.00 (13)	O1—Eu1—Eu1^ii	104.76 (11)
O2^iii—Eu1—O2^iv	65.08 (16)	O2^iii—Eu1—Eu1^ii	152.00 (9)
O3^i—Eu1—O5^v	77.00 (14)	O2^iv—Eu1—Eu1^ii	86.97 (10)
O5—Eu1—O5^v	84.79 (14)	O5^v—Eu1—Eu1^ii	109.43 (10)
O5^ii—Eu1—O5^v	128.83 (18)	O4^vi—Eu1—Eu1^ii	97.69 (10)
O1—Eu1—O5^v	137.26 (14)	O4^vii—Eu1—Eu1^ii	58.78 (9)
O2^iii—Eu1—O5^v	89.86 (14)	S1^iv—Eu1—Eu1^ii	65.52 (3)
O2^iv—Eu1—O5^v	132.68 (14)	Eu1^v—Eu1—Eu1^ii	72.338 (16)
O3^i—Eu1—O4^vi	133.76 (15)	O1—S1—O3	110.7 (2)
O5—Eu1—O4^vi	62.29 (15)	O1—S1—O4	111.9 (3)
O5^ii—Eu1—O4^vi	132.84 (14)	O3—S1—O4	109.5 (3)
O1—Eu1—O4^vi	137.92 (14)	O1—S1—O2	108.9 (3)
O2^iii—Eu1—O4^vi	73.53 (13)	O3—S1—O2	108.5 (2)
O2^iv—Eu1—O4^vi	73.18 (14)	O4—S1—O2	107.3 (3)
O5^v—Eu1—O4^vi	61.06 (13)	O1—S1—Eu1^iv	137.75 (19)
O3^i—Eu1—O4^vii	76.66 (14)	O3—S1—Eu1^iv	106.07 (18)
O5—Eu1—O4^vii	59.28 (14)	O4—S1—Eu1^iv	73.16 (18)
O5^ii—Eu1—O4^vii	70.99 (14)	O2—S1—Eu1^iv	37.58 (18)
O1—Eu1—O4^vii	126.83 (14)	S1—O1—Eu1	139.2 (2)
O2^iii—Eu1—O4^vii	146.77 (13)	S1—O2—Eu1^viii	124.1 (2)
O2^iv—Eu1—O4^vii	142.54 (14)	S1—O2—Eu1^iv	121.0 (3)
O5^v—Eu1—O4^vii	58.03 (14)	Eu1^viii—O2—Eu1^iv	114.92 (16)
O4^vi—Eu1—O4^vii	95.23 (13)	S1—O3—Eu1^ix	156.0 (3)
O3^i—Eu1—S1^iv	144.42 (11)	S1—O4—Eu1^vi	132.5 (3)
O5—Eu1—S1^iv	67.66 (10)	S1—O4—Eu1^x	138.7 (3)
O5^ii—Eu1—S1^iv	73.22 (10)	Eu1^vi—O4—Eu1^x	84.77 (13)
O1—Eu1—S1^iv	79.62 (10)	Eu1—O5—Eu1^ii	107.59 (16)
O2^iii—Eu1—S1^iv	86.54 (10)	Eu1—O5—Eu1^v	95.21 (14)
O2^iv—Eu1—S1^iv	21.46 (10)	Eu1^ii—O5—Eu1^v	128.83 (18)
O5^v—Eu1—S1^iv	138.14 (10)	Eu1—O5—H1	122 (5)
O4^vi—Eu1—S1^iv	78.03 (10)	Eu1^ii—O5—H1	100 (5)
O4^vii—Eu1—S1^iv	122.37 (10)	Eu1^v—O5—H1	106 (4)

Symmetry codes: (i) x−1/2, −y+3/2, z+1/2; (ii) −x+1, −y+1, −z+1; (iii) x−1, 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, z−1/2; (x) x, y, z−1.