Caesium europium(III) polyphosphate, CsEu(PO(3))(4).

Caesium europium polyphosphate, CsEu(PO(3))(4), was synthesized by a high-temperature solution reaction. Its structure is charaterized by a three-dimensional framework made up of double PO(4) spiral chains and EuO(8) and CsO(11) polyhedra.

Related literature

For the structures, properties and applications of condensed alkaline metal–rare earth polyphosphates with the general formula MLn(PO3)4 (M = alkali metal, Ln = rare earth metal), see: Chinn & Hong (1975 ▶); Ettis et al. (2003 ▶); Hong (1975 ▶); Koizumi (1976 ▶); Koizumi & Nakano (1978 ▶); Maksimova et al. (1982 ▶); Naïli & Mhiri (2005 ▶); Otsuka et al. (1977 ▶); Palkina et al. (1978 ▶); Rekik et al. (2004 ▶); Tsujimoto et al. (1977 ▶).

Experimental

Crystal data

CsEu(PO3)4

M = 600.75

Monoclinic,

a = 10.3571 (9) Å

b = 8.9615 (5) Å

c = 11.1957 (8) Å

β = 106.354 (3)°

V = 997.09 (13) Å3

Z = 4

Mo Kα radiation

μ = 10.60 mm−1

T = 293 K

0.25 × 0.20 × 0.15 mm

Data collection

Bruker P4 diffractometer

Absorption correction: ψ-scan (XSCANS; Bruker, 1996 ▶) T min = 0.545, T max = 1.000

7446 measured reflections

2284 independent reflections

2185 reflections with I > 2σ(I)

R int = 0.025

3 standard reflections every 97 reflections intensity decay: none

Refinement

R[F 2 > 2σ(F 2)] = 0.019

wR(F 2) = 0.048

S = 1.00

2284 reflections

164 parameters

Δρmax = 1.16 e Å−3

Δρmin = −1.17 e Å−3

Data collection: XSCANS (Bruker, 1996 ▶); cell refinement: XSCANS; data reduction: SHELXTL (Sheldrick, 2008 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I. DOI: 10.1107/S1600536809036058/bt5050sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809036058/bt5050Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

CsEu(PO3)4	F(000) = 1096
Mr = 600.75	Dx = 4.002 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 2827 reflections
a = 10.3571 (9) Å	θ = 2.3–27.5°
b = 8.9615 (5) Å	µ = 10.60 mm−1
c = 11.1957 (8) Å	T = 293 K
β = 106.354 (3)°	Prism, colorless
V = 997.09 (13) Å3	0.25 × 0.20 × 0.15 mm
Z = 4

Bruker P4 diffractometer	2284 independent reflections
Radiation source: fine-focus sealed tube	2185 reflections with I > 2σ(I)
graphite	Rint = 0.025
Detector resolution: 14.6306 pixels mm-1	θmax = 27.5°, θmin = 2.4°
ω scans	h = −10→13
Absorption correction: ψ scan (XSCANS; Bruker, 1996)	k = −10→11
Tmin = 0.545, Tmax = 1.000	l = −14→14
7446 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.019	w = 1/[σ2(Fo2) + (0.0273P)2 + 2.176P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.048	(Δ/σ)max = 0.001
S = 1.00	Δρmax = 1.16 e Å−3
2284 reflections	Δρmin = −1.17 e Å−3
164 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraints	Extinction coefficient: 0.0154 (3)

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.

	x	y	z	Uiso*/Ueq
Eu	0.498050 (16)	0.226449 (17)	0.180852 (15)	0.00580 (8)
Cs	0.67980 (2)	−0.06549 (3)	0.45979 (2)	0.01775 (9)
P1	0.45959 (9)	−0.17482 (9)	0.13333 (8)	0.00609 (17)
P2	0.75501 (8)	0.02838 (9)	0.78552 (8)	0.00606 (17)
P3	0.67259 (9)	0.39350 (9)	0.47427 (8)	0.00652 (17)
P4	0.64481 (9)	−0.40738 (9)	0.25829 (8)	0.00669 (17)
O1	0.8311 (3)	0.0968 (3)	0.7052 (2)	0.0103 (5)
O2	0.8623 (2)	−0.0428 (3)	0.9043 (2)	0.0084 (5)
O3	0.6485 (3)	−0.0823 (3)	0.7252 (2)	0.0097 (5)
O4	0.5366 (2)	−0.0336 (3)	0.1654 (2)	0.0112 (5)
O5	0.3125 (3)	0.1627 (3)	0.0137 (2)	0.0122 (5)
O6	0.5645 (3)	0.2902 (3)	0.4047 (2)	0.0110 (5)
O7	0.5603 (3)	0.2458 (3)	−0.0102 (2)	0.0110 (5)
O8	0.5213 (2)	−0.2937 (3)	0.2424 (2)	0.0097 (5)
O9	0.6665 (3)	−0.4514 (3)	0.4006 (2)	0.0116 (5)
O10	0.7367 (2)	0.1781 (3)	0.2529 (2)	0.0120 (5)
O11	0.6003 (3)	0.4610 (3)	0.1767 (2)	0.0115 (5)
O12	0.6881 (2)	0.1588 (3)	0.8470 (2)	0.0085 (5)

	U11	U22	U33	U12	U13	U23
Eu	0.00621 (11)	0.00206 (10)	0.00886 (11)	−0.00049 (5)	0.00168 (7)	−0.00068 (5)
Cs	0.02071 (15)	0.01835 (13)	0.01329 (14)	0.00425 (9)	0.00334 (10)	−0.00079 (8)
P1	0.0062 (4)	0.0021 (4)	0.0096 (4)	0.0002 (3)	0.0017 (3)	−0.0003 (3)
P2	0.0059 (4)	0.0031 (4)	0.0094 (4)	−0.0003 (3)	0.0026 (3)	0.0003 (3)
P3	0.0070 (4)	0.0036 (4)	0.0082 (4)	0.0000 (3)	0.0009 (3)	0.0006 (3)
P4	0.0074 (4)	0.0025 (4)	0.0094 (4)	0.0003 (3)	0.0011 (3)	0.0006 (3)
O1	0.0109 (12)	0.0084 (11)	0.0128 (12)	−0.0017 (9)	0.0056 (10)	0.0008 (9)
O2	0.0074 (11)	0.0076 (11)	0.0101 (12)	0.0008 (9)	0.0025 (10)	0.0017 (9)
O3	0.0114 (12)	0.0069 (11)	0.0104 (12)	−0.0026 (9)	0.0020 (10)	−0.0032 (9)
O4	0.0085 (12)	0.0052 (11)	0.0203 (14)	−0.0010 (9)	0.0048 (10)	−0.0013 (10)
O5	0.0105 (13)	0.0127 (12)	0.0133 (13)	−0.0055 (10)	0.0032 (10)	−0.0025 (10)
O6	0.0111 (13)	0.0081 (12)	0.0127 (13)	−0.0027 (9)	0.0016 (10)	−0.0037 (9)
O7	0.0109 (13)	0.0108 (11)	0.0116 (13)	−0.0016 (9)	0.0035 (10)	−0.0014 (9)
O8	0.0092 (12)	0.0066 (11)	0.0130 (13)	0.0032 (9)	0.0028 (10)	0.0032 (9)
O9	0.0189 (13)	0.0047 (11)	0.0104 (12)	−0.0017 (10)	0.0027 (10)	−0.0002 (9)
O10	0.0085 (12)	0.0084 (12)	0.0177 (13)	0.0018 (9)	0.0015 (10)	−0.0041 (10)
O11	0.0165 (13)	0.0037 (11)	0.0152 (13)	−0.0027 (9)	0.0063 (10)	−0.0019 (9)
O12	0.0053 (11)	0.0028 (10)	0.0171 (13)	−0.0006 (8)	0.0024 (10)	−0.0022 (9)

Eu—O5	2.344 (3)	P2—O1	1.485 (2)
Eu—O11	2.360 (2)	P2—O3	1.495 (3)
Eu—O4	2.379 (2)	P2—O2	1.605 (3)
Eu—O7	2.408 (3)	P2—O12	1.609 (2)
Eu—O10	2.413 (2)	P2—Euii	3.5752 (9)
Eu—O1i	2.416 (2)	P3—O5viii	1.479 (3)
Eu—O3ii	2.445 (2)	P3—O6	1.492 (3)
Eu—O6	2.471 (3)	P3—O2ix	1.607 (2)
Eu—P2ii	3.5752 (9)	P3—O9x	1.609 (3)
Eu—P3	3.5994 (9)	P4—O10iv	1.481 (3)
Eu—Cs	4.1024 (3)	P4—O11xi	1.484 (3)
Eu—Csiii	4.4773 (4)	P4—O9	1.594 (3)
Cs—O3	3.083 (2)	P4—O8	1.605 (3)
Cs—O11iv	3.089 (2)	P4—Csiv	3.7102 (9)
Cs—O7iv	3.093 (3)	O1—Euviii	2.416 (2)
Cs—O1	3.114 (3)	O2—P3v	1.607 (2)
Cs—O4	3.224 (3)	O3—Euii	2.445 (2)
Cs—O8	3.249 (3)	O3—Csii	3.693 (3)
Cs—O12v	3.315 (2)	O5—P3i	1.479 (3)
Cs—O10	3.354 (3)	O7—P1vi	1.479 (3)
Cs—O6	3.399 (3)	O7—Csiii	3.093 (3)
Cs—O9	3.517 (2)	O9—P3xi	1.609 (3)
Cs—O10iv	3.586 (3)	O10—P4iii	1.481 (3)
Cs—P2	3.6075 (9)	O10—Csiii	3.586 (3)
P1—O7vi	1.479 (3)	O11—P4x	1.484 (3)
P1—O4	1.485 (2)	O11—Csiii	3.089 (2)
P1—O8	1.611 (3)	O12—P1ii	1.612 (2)
P1—O12ii	1.612 (2)	O12—Csix	3.315 (2)
P1—Csvii	3.7970 (9)
O5—Eu—O11	118.20 (9)	O4—Cs—O10iv	60.36 (6)
O5—Eu—O4	79.62 (9)	O8—Cs—O10iv	42.64 (6)
O11—Eu—O4	141.79 (8)	O12v—Cs—O10iv	79.81 (6)
O5—Eu—O7	70.90 (9)	O10—Cs—O10iv	80.580 (8)
O11—Eu—O7	71.60 (8)	O6—Cs—O10iv	128.21 (6)
O4—Eu—O7	85.04 (9)	O9—Cs—O10iv	41.28 (6)
O5—Eu—O10	139.03 (9)	O3—Cs—P2	24.24 (5)
O11—Eu—O10	75.15 (9)	O11iv—Cs—P2	120.18 (5)
O4—Eu—O10	70.81 (8)	O7iv—Cs—P2	90.79 (5)
O7—Eu—O10	78.72 (9)	O1—Cs—P2	24.12 (4)
O5—Eu—O1i	78.33 (9)	O4—Cs—P2	156.80 (5)
O11—Eu—O1i	75.98 (8)	O8—Cs—P2	145.49 (5)
O4—Eu—O1i	142.22 (8)	O12v—Cs—P2	65.31 (5)
O7—Eu—O1i	115.59 (9)	O10—Cs—P2	121.11 (5)
O10—Eu—O1i	141.10 (9)	O6—Cs—P2	85.97 (5)
O5—Eu—O3ii	75.28 (8)	O9—Cs—P2	113.94 (4)
O11—Eu—O3ii	144.64 (8)	O10iv—Cs—P2	142.83 (4)
O4—Eu—O3ii	69.56 (8)	O7vi—P1—O4	121.10 (15)
O7—Eu—O3ii	140.72 (8)	O7vi—P1—O8	110.06 (14)
O10—Eu—O3ii	117.57 (9)	O4—P1—O8	108.01 (15)
O1i—Eu—O3ii	75.37 (8)	O7vi—P1—O12ii	106.09 (14)
O5—Eu—O6	142.87 (8)	O4—P1—O12ii	110.89 (13)
O11—Eu—O6	79.39 (9)	O8—P1—O12ii	98.32 (13)
O4—Eu—O6	107.21 (9)	O7vi—P1—Csvii	51.19 (10)
O7—Eu—O6	144.72 (9)	O4—P1—Csvii	157.90 (11)
O10—Eu—O6	74.71 (9)	O8—P1—Csvii	93.73 (10)
O1i—Eu—O6	74.81 (9)	O12ii—P1—Csvii	60.52 (9)
O3ii—Eu—O6	73.47 (8)	O7vi—P1—Cs	152.14 (11)
O5—Eu—P2ii	57.86 (6)	O4—P1—Cs	54.51 (10)
O11—Eu—P2ii	156.53 (6)	O8—P1—Cs	56.39 (10)
O4—Eu—P2ii	61.64 (6)	O12ii—P1—Cs	100.29 (10)
O7—Eu—P2ii	121.82 (6)	Csvii—P1—Cs	143.55 (2)
O10—Eu—P2ii	124.21 (6)	O1—P2—O3	116.76 (15)
O1i—Eu—P2ii	80.66 (6)	O1—P2—O2	107.71 (14)
O3ii—Eu—P2ii	19.06 (6)	O3—P2—O2	111.15 (14)
O6—Eu—P2ii	92.51 (6)	O1—P2—O12	108.98 (14)
O5—Eu—P3	156.63 (6)	O3—P2—O12	108.82 (14)
O11—Eu—P3	62.28 (6)	O2—P2—O12	102.45 (13)
O4—Eu—P3	114.99 (6)	O1—P2—Euii	149.02 (11)
O7—Eu—P3	126.11 (6)	O3—P2—Euii	32.27 (10)
O10—Eu—P3	64.27 (6)	O2—P2—Euii	90.91 (9)
O1i—Eu—P3	79.40 (6)	O12—P2—Euii	90.11 (9)
O3ii—Eu—P3	92.32 (6)	O1—P2—Cs	58.96 (10)
O6—Eu—P3	18.85 (6)	O3—P2—Cs	57.81 (10)
P2ii—Eu—P3	111.36 (2)	O2—P2—Cs	130.28 (9)
O5—Eu—Cs	123.34 (6)	O12—P2—Cs	127.26 (10)
O11—Eu—Cs	118.09 (6)	Euii—P2—Cs	90.08 (2)
O4—Eu—Cs	51.71 (6)	O5viii—P3—O6	118.20 (15)
O7—Eu—Cs	122.82 (6)	O5viii—P3—O2ix	107.64 (14)
O10—Eu—Cs	54.82 (6)	O6—P3—O2ix	110.36 (14)
O1i—Eu—Cs	121.45 (6)	O5viii—P3—O9x	109.94 (14)
O3ii—Eu—Cs	62.80 (6)	O6—P3—O9x	110.66 (15)
O6—Eu—Cs	55.84 (6)	O2ix—P3—O9x	98.14 (13)
P2ii—Eu—Cs	72.864 (15)	O5viii—P3—Eu	109.19 (11)
P3—Eu—Cs	64.255 (15)	O6—P3—Eu	32.35 (10)
O5—Eu—Csiii	110.19 (6)	O2ix—P3—Eu	138.19 (9)
O11—Eu—Csiii	40.47 (6)	O9x—P3—Eu	87.37 (10)
O4—Eu—Csiii	103.03 (6)	O5viii—P3—Cs	69.17 (11)
O7—Eu—Csiii	40.98 (6)	O6—P3—Cs	51.61 (10)
O10—Eu—Csiii	52.97 (6)	O2ix—P3—Cs	113.51 (9)
O1i—Eu—Csiii	113.24 (6)	O9x—P3—Cs	147.29 (10)
O3ii—Eu—Csiii	170.28 (6)	Eu—P3—Cs	63.810 (14)
O6—Eu—Csiii	103.77 (6)	O10iv—P4—O11xi	118.71 (15)
P2ii—Eu—Csiii	160.739 (15)	O10iv—P4—O9	108.98 (15)
P3—Eu—Csiii	85.139 (15)	O11xi—P4—O9	110.52 (14)
Cs—Eu—Csiii	107.796 (7)	O10iv—P4—O8	108.41 (14)
O3—Cs—O11iv	140.63 (7)	O11xi—P4—O8	109.63 (15)
O3—Cs—O7iv	96.87 (7)	O9—P4—O8	98.71 (14)
O11iv—Cs—O7iv	53.65 (6)	O10iv—P4—Csiv	64.61 (11)
O3—Cs—O1	48.36 (6)	O11xi—P4—Csiv	54.28 (10)
O11iv—Cs—O1	98.19 (7)	O9—P4—Csiv	127.28 (10)
O7iv—Cs—O1	84.17 (7)	O8—P4—Csiv	133.76 (10)
O3—Cs—O4	147.89 (6)	O10iv—P4—Cs	71.77 (11)
O11iv—Cs—O4	71.25 (6)	O11xi—P4—Cs	167.85 (11)
O7iv—Cs—O4	111.18 (6)	O9—P4—Cs	68.87 (9)
O1—Cs—O4	146.42 (6)	O8—P4—Cs	59.27 (10)
O3—Cs—O8	121.57 (6)	Csiv—P4—Cs	136.34 (2)
O11iv—Cs—O8	88.01 (6)	P2—O1—Euviii	149.05 (16)
O7iv—Cs—O8	91.30 (6)	P2—O1—Cs	96.92 (12)
O1—Cs—O8	167.93 (6)	Euviii—O1—Cs	113.90 (9)
O4—Cs—O8	45.55 (6)	P2—O2—P3v	125.03 (15)
O3—Cs—O12v	58.05 (6)	P2—O3—Euii	128.67 (14)
O11iv—Cs—O12v	98.84 (6)	P2—O3—Cs	97.95 (11)
O7iv—Cs—O12v	45.19 (6)	Euii—O3—Cs	133.38 (9)
O1—Cs—O12v	76.10 (6)	P2—O3—Csii	117.46 (12)
O4—Cs—O12v	136.03 (6)	Euii—O3—Csii	81.12 (7)
O8—Cs—O12v	92.77 (6)	Cs—O3—Csii	76.82 (6)
O3—Cs—O10	141.66 (6)	P1—O4—Eu	139.70 (15)
O11iv—Cs—O10	46.43 (6)	P1—O4—Cs	103.46 (12)
O7iv—Cs—O10	99.72 (6)	Eu—O4—Cs	92.90 (8)
O1—Cs—O10	99.37 (6)	P3i—O5—Eu	146.62 (16)
O4—Cs—O10	49.90 (6)	P3—O6—Eu	128.80 (15)
O8—Cs—O10	92.42 (6)	P3—O6—Cs	108.25 (13)
O12v—Cs—O10	144.62 (6)	Eu—O6—Cs	87.17 (7)
O3—Cs—O6	95.38 (6)	P1vi—O7—Eu	142.64 (15)
O11iv—Cs—O6	96.23 (6)	P1vi—O7—Csiii	106.94 (12)
O7iv—Cs—O6	142.10 (6)	Eu—O7—Csiii	108.31 (9)
O1—Cs—O6	77.64 (6)	P4—O8—P1	129.62 (16)
O4—Cs—O6	72.20 (6)	P4—O8—Cs	95.59 (11)
O8—Cs—O6	112.13 (6)	P1—O8—Cs	99.22 (11)
O12v—Cs—O6	151.27 (6)	P4—O9—P3xi	134.46 (17)
O10—Cs—O6	52.07 (6)	P4—O9—Cs	86.11 (10)
O3—Cs—O9	97.16 (6)	P3xi—O9—Cs	139.40 (13)
O11iv—Cs—O9	88.72 (6)	P4iii—O10—Eu	149.26 (16)
O7iv—Cs—O9	58.85 (6)	P4iii—O10—Cs	91.87 (12)
O1—Cs—O9	127.52 (6)	Eu—O10—Cs	89.14 (7)
O4—Cs—O9	84.95 (6)	P4iii—O10—Csiii	85.12 (11)
O8—Cs—O9	41.82 (6)	Eu—O10—Csiii	94.52 (8)
O12v—Cs—O9	51.48 (6)	Cs—O10—Csiii	176.32 (8)
O10—Cs—O9	121.00 (6)	P4x—O11—Eu	139.40 (15)
O6—Cs—O9	153.49 (6)	P4x—O11—Csiii	102.77 (12)
O3—Cs—O10iv	136.01 (6)	Eu—O11—Csiii	109.80 (8)
O11iv—Cs—O10iv	51.06 (6)	P2—O12—P1ii	131.54 (16)
O7iv—Cs—O10iv	53.89 (6)	P2—O12—Csix	132.22 (12)
O1—Cs—O10iv	136.86 (6)	P1ii—O12—Csix	94.44 (10)