Ni(2)Sr(PO(4))(2)·2H(2)O.

The title compound, dinickel(II) strontium bis-[ortho-phosphate(V)] dihydrate, was obtained under hydro-thermal conditions. The crystal structure consists of linear chains (∞) (1)[NiO(2/2)(OH(2))(2/2)O(2/1)] of edge-sharing NiO(6) octa-hedra ( symmetry) running parallel to [010]. Adjacent chains are linked to each other through PO(4) tetra-hedra (m symmetry) and arranged in such a way to build layers parallel to (001). The three-dimensional framework is accomplished by stacking of adjacent layers that are held together by SrO(8) polyhedra (2/m symmetry). Two types of O-H⋯O hydrogen bonds involving the water mol-ecule are present, viz. one very strong hydrogen bond perpendicular to the layers and weak trifurcated hydrogen bonds parallel to the layers.

Related literature

For catalytic properties of phosphates, see: Cheetham et al. (1999 ▶); Clearfield (1988 ▶). The crystal structure of anhydrous Ni2Sr(PO4)2 has been reported by El Bali et al. (1993 ▶). For crystal structures of some hydrous orthophosphates of divalent cations, see: Assani et al. (2010 ▶); Effenberger (1999 ▶); Lee et al. (2008 ▶); Britvin et al. (2002 ▶); Stock (2002 ▶); Yakubovich et al. (2001 ▶). For bond-valence analysis, see: Brown & Altermatt (1985 ▶).

Experimental

Crystal data

Ni2Sr(PO4)2·2H2O

M = 431.01

Monoclinic,

a = 8.8877 (3) Å

b = 6.0457 (3) Å

c = 7.3776 (3) Å

β = 114.173 (2)°

V = 361.66 (3) Å3

Z = 2

Mo Kα radiation

μ = 12.99 mm−1

T = 296 K

0.20 × 0.10 × 0.07 mm

Data collection

Bruker APEXII diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.229, T max = 0.403

2376 measured reflections

454 independent reflections

439 reflections with I > 2σ(I)

R int = 0.028

Refinement

R[F 2 > 2σ(F 2)] = 0.019

wR(F 2) = 0.052

S = 1.12

454 reflections

49 parameters

3 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.41 e Å−3

Δρmin = −0.69 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia,1997 ▶) and DIAMOND (Brandenburg, 2006 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810045113/wm2418sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810045113/wm2418Isup2.hkl

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

Ni2Sr(PO4)2·2H2O	F(000) = 416
Mr = 431.01	Dx = 3.958 Mg m−3
Monoclinic, C2/m	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2y	Cell parameters from 454 reflections
a = 8.8877 (3) Å	θ = 3.0–27.4°
b = 6.0457 (3) Å	µ = 12.99 mm−1
c = 7.3776 (3) Å	T = 296 K
β = 114.173 (2)°	Parallelepiped, pale green
V = 361.66 (3) Å3	0.20 × 0.10 × 0.07 mm
Z = 2

Bruker APEXII diffractometer	454 independent reflections
Radiation source: fine-focus sealed tube	439 reflections with I > 2σ(I)
graphite	Rint = 0.028
φ and ω scans	θmax = 27.4°, θmin = 3.0°
Absorption correction: multi-scan (SADABS; Bruker, 2005)	h = −11→11
Tmin = 0.229, Tmax = 0.403	k = −7→7
2376 measured reflections	l = −9→9

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	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.052	H atoms treated by a mixture of independent and constrained refinement
S = 1.12	w = 1/[σ2(Fo2) + (0.0243P)2 + 1.4658P] where P = (Fo2 + 2Fc2)/3
454 reflections	(Δ/σ)max < 0.001
49 parameters	Δρmax = 0.41 e Å−3
3 restraints	Δρmin = −0.68 e Å−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
Sr1	0.5000	0.5000	0.0000	0.01385 (17)
Ni1	0.7500	0.7500	0.5000	0.00948 (17)
P1	0.91308 (11)	0.5000	0.22145 (14)	0.0053 (2)
O1	1.0211 (2)	0.7094 (3)	0.2739 (3)	0.0110 (4)
O2	0.7975 (3)	0.5000	0.0027 (4)	0.0143 (6)
O3	0.7992 (3)	0.5000	0.3363 (4)	0.0084 (5)
O4	0.6779 (3)	0.5000	0.6298 (4)	0.0128 (6)
H1	0.577 (4)	0.5000	0.610 (13)	0.15 (4)*
H2	0.730 (10)	0.5000	0.755 (4)	0.15 (4)*

	U11	U22	U33	U12	U13	U23
Sr1	0.0089 (3)	0.0253 (3)	0.0071 (3)	0.000	0.00297 (19)	0.000
Ni1	0.0100 (3)	0.0095 (3)	0.0083 (3)	0.00375 (18)	0.00307 (19)	0.00014 (19)
P1	0.0045 (4)	0.0055 (5)	0.0059 (5)	0.000	0.0020 (3)	0.000
O1	0.0090 (9)	0.0104 (10)	0.0116 (10)	−0.0040 (8)	0.0021 (7)	0.0013 (8)
O2	0.0100 (13)	0.0226 (17)	0.0080 (15)	0.000	0.0014 (11)	0.000
O3	0.0084 (12)	0.0086 (14)	0.0107 (13)	0.000	0.0066 (10)	0.000
O4	0.0076 (13)	0.0211 (17)	0.0107 (14)	0.000	0.0047 (11)	0.000

Sr1—O1i	2.626 (2)	Ni1—O1i	2.0499 (19)
Sr1—O1ii	2.626 (2)	Ni1—O1vii	2.0499 (19)
Sr1—O1iii	2.626 (2)	Ni1—O3vi	2.0895 (18)
Sr1—O1iv	2.626 (2)	Ni1—O3	2.0895 (18)
Sr1—O2v	2.636 (3)	P1—O2	1.517 (3)
Sr1—O2	2.636 (3)	P1—O1viii	1.539 (2)
Sr1—O3	2.797 (3)	P1—O1	1.539 (2)
Sr1—O3v	2.797 (3)	P1—O3	1.564 (3)
Ni1—O4vi	2.0285 (19)	O4—H1	0.85 (5)
Ni1—O4	2.0285 (19)	O4—H2	0.85 (5)
O1i—Sr1—O1ii	180.0	O1i—Ni1—O1vii	180.0
O1i—Sr1—O1iii	96.00 (9)	O4vi—Ni1—O3vi	85.13 (8)
O1ii—Sr1—O1iii	84.00 (9)	O4—Ni1—O3vi	94.87 (8)
O1i—Sr1—O1iv	84.00 (9)	O1i—Ni1—O3vi	90.62 (9)
O1ii—Sr1—O1iv	96.00 (9)	O1vii—Ni1—O3vi	89.38 (9)
O1iii—Sr1—O1iv	180.00 (7)	O4vi—Ni1—O3	94.87 (8)
O1i—Sr1—O2v	76.18 (6)	O4—Ni1—O3	85.13 (8)
O1ii—Sr1—O2v	103.82 (6)	O1i—Ni1—O3	89.38 (10)
O1iii—Sr1—O2v	103.82 (6)	O1vii—Ni1—O3	90.62 (9)
O1iv—Sr1—O2v	76.18 (6)	O3vi—Ni1—O3	180.0
O1i—Sr1—O2	103.82 (6)	O2—P1—O1viii	110.38 (10)
O1ii—Sr1—O2	76.18 (6)	O2—P1—O1	110.38 (10)
O1iii—Sr1—O2	76.18 (6)	O1viii—P1—O1	110.64 (16)
O1iv—Sr1—O2	103.82 (6)	O2—P1—O3	105.67 (16)
O2v—Sr1—O2	180.0	O1viii—P1—O3	109.83 (10)
O1i—Sr1—O3	64.85 (6)	O1—P1—O3	109.83 (10)
O1ii—Sr1—O3	115.15 (6)	P1—O1—Ni1vii	127.73 (12)
O1iii—Sr1—O3	115.15 (6)	P1—O1—Sr1ix	121.08 (11)
O1iv—Sr1—O3	64.85 (6)	Ni1vii—O1—Sr1ix	106.29 (8)
O2v—Sr1—O3	126.37 (8)	P1—O2—Sr1	104.37 (14)
O2—Sr1—O3	53.63 (8)	P1—O3—Ni1	130.42 (7)
O1i—Sr1—O3v	115.15 (6)	P1—O3—Ni1x	130.42 (7)
O1ii—Sr1—O3v	64.85 (6)	Ni1—O3—Ni1x	92.66 (11)
O1iii—Sr1—O3v	64.85 (6)	P1—O3—Sr1	96.33 (13)
O1iv—Sr1—O3v	115.15 (6)	Ni1—O3—Sr1	99.48 (8)
O2v—Sr1—O3v	53.63 (8)	Ni1x—O3—Sr1	99.48 (8)
O2—Sr1—O3v	126.37 (8)	Ni1x—O4—Ni1	96.34 (12)
O3—Sr1—O3v	180.00 (9)	Ni1x—O4—H1	116 (3)
O4vi—Ni1—O4	180.0	Ni1—O4—H1	116 (3)
O4vi—Ni1—O1i	85.80 (10)	Ni1x—O4—H2	112 (4)
O4—Ni1—O1i	94.20 (10)	Ni1—O4—H2	112 (4)
O4vi—Ni1—O1vii	94.20 (10)	H1—O4—H2	105 (8)
O4—Ni1—O1vii	85.80 (10)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H1···O4xi	0.85 (6)	2.23 (7)	2.951 (4)	143 (7)
O4—H1···O1vi	0.85 (6)	2.28 (4)	2.784 (3)	118 (4)
O4—H1···O1x	0.85 (6)	2.28 (4)	2.784 (3)	118 (4)
O4—H2···O2xii	0.85 (3)	1.67 (3)	2.511 (4)	169 (9)

Table 1

Selected bond lengths (Å)

Sr1—O1i	2.626 (2)
Sr1—O2	2.636 (3)
Sr1—O3	2.797 (3)
Ni1—O4	2.0285 (19)
Ni1—O1ii	2.0499 (19)
Ni1—O3	2.0895 (18)
P1—O2	1.517 (3)
P1—O1	1.539 (2)
P1—O3	1.564 (3)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H1⋯O4iii	0.85 (6)	2.23 (7)	2.951 (4)	143 (7)
O4—H1⋯O1iv	0.85 (6)	2.28 (4)	2.784 (3)	118 (4)
O4—H1⋯O1v	0.85 (6)	2.28 (4)	2.784 (3)	118 (4)
O4—H2⋯O2vi	0.85 (3)	1.67 (3)	2.511 (4)	169 (9)

Symmetry codes: (iii) ; (iv) ; (v) ; (vi) .