Disilver(I) tricobalt(II) hydrogenphos-phate bis-(phosphate), Ag(2)Co(3)(HPO(4))(PO(4))(2).

Ag(2)Co(3)(HPO(4))(PO(4))(2) contains CoO(6) octa-hedra and phosphate groups linked to form a three-dimensional network defining tunnels parallel to the a axis that are occupied by Ag(+) ions.

Related literature

Compounds prepared hydro­thermally in the Ag2O–MO–P2O5 (M = divalent cation) system include AgMg3(PO4)(HPO4)2 (Assani et al., 2011a ▶), AgMn3(PO4)(HPO4)2 (Leroux et al., 1995 ▶), AgCo3(PO4)(HPO4)2 (Guesmi & Driss, 2002 ▶), AgNi3(PO4)(HPO4)2 (Ben Smail & Jouini, 2002 ▶), Ag2Ni3(HPO4)(PO4)2 (Assani et al., 2011b ▶) and γ-AgZnPO4 (Assani et al., 2010 ▶).

Experimental

Crystal data

Ag2Co3(HPO4)(PO4)2

M = 678.44

Orthorhombic,

a = 12.9814 (4) Å

b = 6.5948 (2) Å

c = 10.7062 (3) Å

V = 916.55 (5) Å3

Z = 4

Mo Kα radiation

μ = 10.11 mm−1

T = 296 K

0.26 × 0.12 × 0.09 mm

Data collection

Bruker X8 APEX diffractometer

Absorption correction: multi-scan (MULABS; Blessing, 1995 ▶) T min = 0.365, T max = 0.424

3966 measured reflections

1388 independent reflections

1368 reflections with I > 2σ(I)

R int = 0.021

Refinement

R[F 2 > 2σ(F 2)] = 0.028

wR(F 2) = 0.064

S = 1.05

1388 reflections

99 parameters

1 restraint

H-atom parameters constrained

Δρmax = 1.81 e Å−3

Δρmin = −1.54 e Å−3

Absolute structure: Flack (1983 ▶), 653 Friedel pairs

Flack parameter: 0.55 (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 datablock(s) I, global. DOI: 10.1107/S1600536811022598/mg2119sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022598/mg2119Isup2.hkl

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

Ag2Co3(HPO4)(PO4)2	F(000) = 1268
Mr = 678.44	Dx = 4.917 Mg m−3
Orthorhombic, Ima2	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: I 2 -2a	Cell parameters from 1388 reflections
a = 12.9814 (4) Å	θ = 3.1–30.0°
b = 6.5948 (2) Å	µ = 10.11 mm−1
c = 10.7062 (3) Å	T = 296 K
V = 916.55 (5) Å3	Prism, pink
Z = 4	0.26 × 0.12 × 0.09 mm

Bruker X8 APEX diffractometer	1388 independent reflections
Radiation source: fine-focus sealed tube	1368 reflections with I > 2σ(I)
graphite	Rint = 0.021
φ and ω scans	θmax = 30.0°, θmin = 3.1°
Absorption correction: multi-scan (MULABS; Blessing, 1995)	h = −17→18
Tmin = 0.365, Tmax = 0.424	k = −3→9
3966 measured reflections	l = −14→15

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.028	H-atom parameters constrained
wR(F2) = 0.064	w = 1/[σ2(Fo2) + (0.036P)2 + 2.5641P] where P = (Fo2 + 2Fc2)/3
S = 1.05	(Δ/σ)max < 0.001
1388 reflections	Δρmax = 1.81 e Å−3
99 parameters	Δρmin = −1.54 e Å−3
1 restraint	Absolute structure: Flack (1983), 653 Friedel pairs
Primary atom site location: structure-invariant direct methods	Flack parameter: 0.55 (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	Occ. (<1)
Ag1	0.2500	0.61215 (8)	−0.01381 (7)	0.03097 (16)
Ag2	0.0000	0.5000	−0.03770 (5)	0.0448 (2)
Co1	0.13632 (3)	0.24907 (9)	0.20816 (6)	0.00759 (11)
Co2	0.0000	0.5000	0.45678 (7)	0.00474 (13)
P1	−0.07308 (7)	0.25700 (17)	0.20656 (12)	0.00728 (17)
P2	0.2500	0.40742 (18)	0.45614 (14)	0.0051 (2)
O1	−0.1344 (3)	0.4442 (5)	0.1740 (3)	0.0117 (6)
O2	0.0039 (3)	0.2072 (5)	0.1002 (3)	0.0084 (6)
O3	0.0017 (3)	0.2766 (5)	0.3204 (3)	0.0078 (6)
O4	−0.1489 (3)	0.0787 (5)	0.2349 (3)	0.0116 (7)
O5	0.15460 (18)	0.5409 (4)	0.4551 (3)	0.0102 (5)
O6	0.2500	0.2616 (7)	0.3410 (4)	0.0109 (11)
O7	0.2500	0.2663 (7)	0.5736 (4)	0.0083 (10)
H4	−0.2103	0.0633	0.2635	0.010*	0.50

	U11	U22	U33	U12	U13	U23
Ag1	0.0498 (3)	0.0187 (2)	0.0244 (3)	0.000	0.000	0.0049 (2)
Ag2	0.1126 (6)	0.0094 (2)	0.0124 (3)	−0.0022 (2)	0.000	0.000
Co1	0.00546 (19)	0.0103 (2)	0.0070 (2)	0.0005 (2)	0.0001 (2)	−0.00120 (18)
Co2	0.0051 (2)	0.0051 (3)	0.0040 (3)	0.00074 (19)	0.000	0.000
P1	0.0069 (3)	0.0078 (4)	0.0071 (4)	0.0000 (4)	−0.0003 (5)	0.0005 (4)
P2	0.0043 (5)	0.0066 (5)	0.0044 (6)	0.000	0.000	−0.0005 (5)
O1	0.0133 (15)	0.0094 (14)	0.0124 (14)	0.0018 (11)	−0.0027 (10)	0.0002 (11)
O2	0.0096 (17)	0.0072 (12)	0.0083 (14)	−0.0004 (13)	−0.0014 (11)	−0.0031 (13)
O3	0.0080 (17)	0.0091 (14)	0.0063 (13)	0.0030 (12)	−0.0020 (10)	−0.0015 (12)
O4	0.0107 (17)	0.0083 (15)	0.0159 (18)	−0.0018 (11)	0.0039 (10)	0.0001 (10)
O5	0.0067 (9)	0.0115 (10)	0.0123 (13)	0.0014 (9)	0.0003 (12)	0.0000 (12)
O6	0.011 (3)	0.014 (2)	0.008 (2)	0.000	0.000	−0.0033 (15)
O7	0.007 (3)	0.010 (2)	0.0083 (19)	0.000	0.000	0.0021 (15)

Ag1—O1i	2.537 (3)	Co2—O2xi	2.056 (3)
Ag1—O1ii	2.537 (3)	Co2—O3i	2.074 (3)
Ag1—O5iii	2.623 (3)	Co2—O3	2.074 (3)
Ag1—O5iv	2.623 (3)	P1—O1	1.510 (3)
Ag1—O7v	2.666 (4)	P1—O2	1.550 (4)
Ag1—O6v	2.914 (5)	P1—O4	1.563 (3)
Ag1—O4vi	3.001 (3)	P1—O3	1.563 (4)
Ag1—O4vii	3.001 (3)	P2—O5	1.519 (3)
Ag1—Ag2	3.33837 (16)	P2—O5xii	1.520 (3)
Ag2—O3viii	2.374 (3)	P2—O6	1.563 (5)
Ag2—O3vi	2.374 (3)	P2—O7	1.564 (5)
Ag2—O2	2.431 (4)	O1—Co1i	2.055 (3)
Ag2—O2i	2.431 (4)	O1—O4	2.504 (4)
Ag2—O1	2.884 (3)	O1—O2	2.509 (5)
Ag2—O1i	2.884 (3)	O1—Ag1i	2.536 (3)
Ag2—O4viii	3.151 (3)	O2—Co2xiii	2.056 (3)
Ag2—O4vi	3.151 (3)	O3—Ag2xiv	2.374 (3)
Ag2—Ag1i	3.33837 (16)	O4—Ag1xv	3.001 (3)
Co1—O6	2.051 (3)	O4—Ag2xiv	3.151 (3)
Co1—O1i	2.055 (3)	O4—H4	0.8598
Co1—O7v	2.065 (3)	O5—Ag1xvi	2.623 (3)
Co1—O2	2.090 (3)	O6—Co1xii	2.051 (3)
Co1—O3	2.128 (4)	O6—Ag1xvii	2.914 (5)
Co1—O4ix	2.187 (3)	O7—Co1xi	2.065 (3)
Co2—O5i	2.025 (2)	O7—Co1xvii	2.065 (3)
Co2—O5	2.025 (2)	O7—Ag1xvii	2.666 (4)
Co2—O2x	2.056 (3)
O1i—Ag1—O1ii	72.52 (15)	O2—Ag2—O4vi	125.96 (10)
O1i—Ag1—O5iii	87.09 (10)	O2i—Ag2—O4vi	110.56 (10)
O1ii—Ag1—O5iii	120.52 (10)	O1—Ag2—O4vi	177.68 (9)
O1i—Ag1—O5iv	120.52 (10)	O1i—Ag2—O4vi	102.42 (8)
O1ii—Ag1—O5iv	87.09 (10)	O4viii—Ag2—O4vi	78.84 (11)
O5iii—Ag1—O5iv	56.35 (11)	Ag1i—Ag2—Ag1	171.21 (3)
O1i—Ag1—O7v	65.44 (10)	O6—Co1—O1i	95.28 (16)
O1ii—Ag1—O7v	65.44 (10)	O6—Co1—O7v	88.38 (11)
O5iii—Ag1—O7v	149.47 (7)	O1i—Co1—O7v	86.15 (16)
O5iv—Ag1—O7v	149.47 (7)	O6—Co1—O2	168.69 (14)
O1i—Ag1—O6v	107.39 (11)	O1i—Co1—O2	91.26 (14)
O1ii—Ag1—O6v	107.39 (11)	O7v—Co1—O2	101.28 (12)
O5iii—Ag1—O6v	132.08 (10)	O6—Co1—O3	101.28 (13)
O5iv—Ag1—O6v	132.08 (10)	O1i—Co1—O3	90.38 (13)
O7v—Ag1—O6v	52.78 (11)	O7v—Co1—O3	170.01 (13)
O1i—Ag1—O4vi	116.18 (10)	O2—Co1—O3	69.40 (10)
O1ii—Ag1—O4vi	163.45 (9)	O6—Co1—O4ix	84.00 (15)
O5iii—Ag1—O4vi	75.15 (9)	O1i—Co1—O4ix	175.52 (12)
O5iv—Ag1—O4vi	99.02 (9)	O7v—Co1—O4ix	89.40 (15)
O7v—Ag1—O4vi	104.24 (11)	O2—Co1—O4ix	90.18 (13)
O6v—Ag1—O4vi	57.31 (10)	O3—Co1—O4ix	94.10 (13)
O1i—Ag1—O4vii	163.45 (9)	O5i—Co2—O5	178.97 (18)
O1ii—Ag1—O4vii	116.18 (10)	O5i—Co2—O2x	94.06 (13)
O5iii—Ag1—O4vii	99.02 (9)	O5—Co2—O2x	86.71 (13)
O5iv—Ag1—O4vii	75.15 (9)	O5i—Co2—O2xi	86.71 (13)
O7v—Ag1—O4vii	104.24 (11)	O5—Co2—O2xi	94.06 (13)
O6v—Ag1—O4vii	57.31 (10)	O2x—Co2—O2xi	83.4 (2)
O4vi—Ag1—O4vii	51.87 (13)	O5i—Co2—O3i	94.45 (13)
O3viii—Ag2—O3vi	100.42 (17)	O5—Co2—O3i	84.82 (13)
O3viii—Ag2—O2	77.19 (9)	O2x—Co2—O3i	93.07 (11)
O3vi—Ag2—O2	177.52 (14)	O2xi—Co2—O3i	176.32 (16)
O3viii—Ag2—O2i	177.52 (14)	O5i—Co2—O3	84.82 (13)
O3vi—Ag2—O2i	77.19 (9)	O5—Co2—O3	94.45 (13)
O2—Ag2—O2i	105.21 (15)	O2x—Co2—O3	176.32 (16)
O3viii—Ag2—O1	114.25 (11)	O2xi—Co2—O3	93.07 (11)
O3vi—Ag2—O1	126.53 (11)	O3i—Co2—O3	90.51 (18)
O2—Ag2—O1	55.53 (11)	O1—P1—O2	110.1 (2)
O2i—Ag2—O1	67.13 (10)	O1—P1—O4	109.14 (18)
O3viii—Ag2—O1i	126.53 (11)	O2—P1—O4	112.90 (19)
O3vi—Ag2—O1i	114.25 (11)	O1—P1—O3	116.08 (18)
O2—Ag2—O1i	67.13 (10)	O2—P1—O3	100.93 (14)
O2i—Ag2—O1i	55.53 (11)	O4—P1—O3	107.57 (19)
O1—Ag2—O1i	76.38 (13)	O1—P1—Co1	122.99 (14)
O3viii—Ag2—O4viii	52.04 (11)	O5—P2—O5xii	109.2 (2)
O3vi—Ag2—O4viii	68.06 (10)	O5—P2—O6	110.52 (15)
O2—Ag2—O4viii	110.56 (10)	O5xii—P2—O6	110.52 (15)
O2i—Ag2—O4viii	125.96 (10)	O5—P2—O7	110.52 (15)
O1—Ag2—O4viii	102.42 (8)	O5xii—P2—O7	110.53 (15)
O1i—Ag2—O4viii	177.68 (9)	O6—P2—O7	105.5 (2)
O3viii—Ag2—O4vi	68.06 (10)	P1—O4—H4	137.9
O3vi—Ag2—O4vi	52.04 (11)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4···O4xviii	0.86	1.86	2.626 (7)	148.

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H4⋯O4i	0.86	1.86	2.626 (7)	148

Symmetry code: (i) .