The γ-polymorph of AgZnPO(4) with an ABW zeolite-type framework topology.

The γ-polymorph of the title compound, silver zinc orthophos-phate, was synthesized under hydro-thermal conditions. The structure consists of ZnO(4), PO(4) and AgO(4) units. The coord-ination spheres of Zn(II) and P(V) are tetra-hedral, whereas the Ag(I) atom is considerably distorted from a tetra-hedral coordination. Each O atom is linked to each of the three cations. An elliptic eight-membered ring system is formed by corner-sharing of alternating PO(4) and ZnO(4) tetra-hedra, leading to a framework with an ABW-type zeolite structure. The framework encloses channels running parallel to [100] in which the Ag cations are located, with Ag⋯Ag contacts of 3.099 (3) Å. This short distance results from d(10)⋯d(10) inter-actions, which play a substantial role in the crystal packing. The structure of γ-AgZnPO(4) is distinct from the two other polymorphs α-AgZnPO(4) and β-AgZnPO(4), but is isotypic with NaZnPO(4)-ABW, NaCoPO(4)-ABW and NH(4)CoPO(4)-ABW.

Related literature

For general background to A I B IIPO4 phosphates, see: Elouadi & Elammari (1990 ▶); Bu et al. (1996 ▶); Moring & Kostiner (1986 ▶). For the α- and β- polymorphs of AgZnPO4, see: Hammond et al. (1998 ▶); Elammari et al. (1987 ▶, 1988 ▶). For bond-valence analysis, see: Brown & Altermatt (1985 ▶). For d 10⋯d 10 inter­actions, see: Jansen (1987 ▶). For compounds with isotypic structures, see: Chippindale et al. (1999 ▶); Feng et al. (1997 ▶); Ng & Harrison (1998 ▶). For nomenclature of zeolites, see: Baerlocher et al. (2007 ▶).

Experimental

Crystal data

AgZn(PO4)

M = 268.21

Monoclinic,

a = 5.1664 (2) Å

b = 10.4183 (3) Å

c = 7.3263 (2) Å

β = 90.304 (2)°

V = 394.33 (2) Å3

Z = 4

Mo Kα radiation

μ = 11.32 mm−1

T = 296 K

0.25 × 0.08 × 0.05 mm

Data collection

Bruker X8 APEXII diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.351, T max = 0.568

9307 measured reflections

1745 independent reflections

1621 reflections with I > 2σ(I)

R int = 0.033

Refinement

R[F 2 > 2σ(F 2)] = 0.019

wR(F 2) = 0.044

S = 1.08

1745 reflections

65 parameters

Δρmax = 1.18 e Å−3

Δρmin = −1.30 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/S1600536810038717/wm2407sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810038717/wm2407Isup2.hkl

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

AgZn(PO4)	F(000) = 496
Mr = 268.21	Dx = 4.518 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 1745 reflections
a = 5.1664 (2) Å	θ = 3.4–35.0°
b = 10.4183 (3) Å	µ = 11.32 mm−1
c = 7.3263 (2) Å	T = 296 K
β = 90.304 (2)°	Plate, colourless
V = 394.33 (2) Å3	0.25 × 0.08 × 0.05 mm
Z = 4

Bruker X8 APEXII diffractometer	1745 independent reflections
Radiation source: fine-focus sealed tube	1621 reflections with I > 2σ(I)
graphite	Rint = 0.033
φ and ω scans	θmax = 35.0°, θmin = 3.4°
Absorption correction: multi-scan (SADABS; Bruker, 2005)	h = −7→8
Tmin = 0.351, Tmax = 0.568	k = −16→16
9307 measured reflections	l = −11→11

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) + (0.0138P)2 + 0.5475P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.044	(Δ/σ)max = 0.001
S = 1.08	Δρmax = 1.18 e Å−3
1745 reflections	Δρmin = −1.30 e Å−3
65 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraints	Extinction coefficient: 0.0685 (12)

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
Ag1	0.20254 (3)	0.891281 (15)	0.021499 (19)	0.01931 (6)
Zn1	0.19054 (4)	0.840764 (19)	0.52546 (3)	0.01037 (6)
P1	0.69041 (8)	0.89550 (4)	0.29147 (6)	0.00877 (8)
O1	0.3966 (2)	0.87815 (14)	0.31182 (18)	0.0159 (2)
O2	0.7616 (3)	1.03856 (12)	0.27484 (18)	0.0161 (2)
O3	0.8268 (3)	0.83575 (14)	0.45641 (19)	0.0166 (2)
O4	0.7730 (3)	0.83197 (12)	0.11089 (18)	0.0155 (2)

	U11	U22	U33	U12	U13	U23
Ag1	0.02148 (8)	0.02283 (8)	0.01363 (8)	0.00195 (5)	0.00071 (5)	0.00377 (5)
Zn1	0.01202 (9)	0.00970 (9)	0.00939 (9)	−0.00034 (6)	−0.00004 (6)	0.00058 (6)
P1	0.00988 (16)	0.00839 (16)	0.00805 (16)	−0.00085 (12)	0.00051 (12)	0.00001 (12)
O1	0.0099 (5)	0.0272 (7)	0.0107 (5)	−0.0013 (5)	0.0007 (4)	0.0032 (5)
O2	0.0289 (7)	0.0083 (5)	0.0110 (5)	−0.0043 (5)	0.0007 (5)	−0.0006 (4)
O3	0.0139 (5)	0.0184 (6)	0.0176 (6)	−0.0014 (4)	−0.0044 (4)	0.0069 (5)
O4	0.0189 (6)	0.0130 (5)	0.0147 (6)	−0.0045 (4)	0.0059 (5)	−0.0055 (4)

Ag1—O2i	2.2992 (13)	P1—O1	1.5366 (13)
Ag1—O1	2.3506 (13)	P1—O2	1.5401 (13)
Ag1—O4ii	2.3982 (13)	P1—O4	1.5415 (13)
Ag1—O3iii	2.4975 (14)	O2—Zn1v	1.9438 (13)
Ag1—Ag1iv	3.0990 (3)	O2—Ag1i	2.2992 (13)
Zn1—O1	1.9372 (13)	O3—Zn1vii	1.9440 (13)
Zn1—O2v	1.9439 (13)	O3—Ag1viii	2.4975 (14)
Zn1—O3ii	1.9440 (13)	O4—Zn1ix	1.9516 (13)
Zn1—O4vi	1.9516 (13)	O4—Ag1vii	2.3982 (13)
P1—O3	1.5283 (14)
O2i—Ag1—O1	146.80 (5)	O3—P1—O2	110.33 (8)
O2i—Ag1—O4ii	114.78 (5)	O1—P1—O2	110.97 (8)
O1—Ag1—O4ii	97.40 (5)	O3—P1—O4	112.03 (8)
O2i—Ag1—O3iii	95.66 (5)	O1—P1—O4	108.10 (8)
O1—Ag1—O3iii	90.50 (5)	O2—P1—O4	106.28 (7)
O4ii—Ag1—O3iii	92.72 (5)	P1—O1—Zn1	130.50 (8)
O2i—Ag1—Ag1iv	74.30 (4)	P1—O1—Ag1	108.80 (7)
O1—Ag1—Ag1iv	114.78 (4)	Zn1—O1—Ag1	120.61 (6)
O4ii—Ag1—Ag1iv	65.84 (3)	P1—O2—Zn1v	126.57 (8)
O3iii—Ag1—Ag1iv	147.90 (3)	P1—O2—Ag1i	113.75 (7)
O1—Zn1—O2v	114.19 (6)	Zn1v—O2—Ag1i	119.64 (6)
O1—Zn1—O3ii	109.25 (6)	P1—O3—Zn1vii	129.49 (8)
O2v—Zn1—O3ii	109.40 (7)	P1—O3—Ag1viii	114.76 (7)
O1—Zn1—O4vi	108.94 (6)	Zn1vii—O3—Ag1viii	103.00 (6)
O2v—Zn1—O4vi	109.17 (6)	P1—O4—Zn1ix	127.61 (8)
O3ii—Zn1—O4vi	105.52 (6)	P1—O4—Ag1vii	112.61 (7)
O3—P1—O1	109.09 (8)	Zn1ix—O4—Ag1vii	110.53 (6)

Table 1

Selected bond lengths (Å)

Ag1—O2i	2.2992 (13)
Ag1—O1	2.3506 (13)
Ag1—O4ii	2.3982 (13)
Ag1—O3iii	2.4975 (14)
Zn1—O1	1.9372 (13)
Zn1—O2iv	1.9439 (13)
Zn1—O3ii	1.9440 (13)
Zn1—O4v	1.9516 (13)
P1—O3	1.5283 (14)
P1—O1	1.5366 (13)
P1—O2	1.5401 (13)
P1—O4	1.5415 (13)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .