Structure of the mixed-metal carbonate KAgCO3 revisited: order–disorder (OD) polytypism and allotwinning

Hans, P.; Stöger, B.; Weil, M.; Zobetz, E.

doi:10.1107/S2052520615004138

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Structure of the mixed-metal carbonate KAgCO₃ revisited: order–disorder (OD) polytypism and allotwinning

P. Hans, B. Stöger, M. Weil and E. Zobetz

Crystals of KAgCO₃ belong to an order–disorder (OD) family of structures composed of layers of two kinds. There are two polytypes with a maximum degree of order [MDO₁: Pccb; MDO₂: Ibca, doubled a-axis compared with MDO₁], which are both realised to a different extent in two crystals under investigation [volume fraction MDO₁:MDO₂ in crystal (I): 0.0216:0.9784 (3) and in crystal (II): 0.9657:0.0343 (3)]. Sharp diffraction spots and the absence of diffuse scattering indicate highly ordered macroscopic domains. The structure of KAgCO₃ was refined concurrently against all reflections using an allotwin model (addition of the intensities of both domains). It is shown that a disorder model refined against reflections of only one domain can lead to a significant overestimation of the volume fraction of this domain.

Keywords: order–disorder; polytypism; allotwinning.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520615004138/wf5114sup1.cif Contains datablocks kagco3_crystal1_mdo2, kagco3_crystal1_mdo1, kagco3_crystal2_mdo1, kagco3_crystal2_mdo2
	Structure factor file (CIF format) https://doi.org/10.1107/S2052520615004138/wf5114kagco3_crystal1_mdo2sup2.hkl Contains datablock kagco3_crystal1_mdo2
	Structure factor file (CIF format) https://doi.org/10.1107/S2052520615004138/wf5114kagco3_crystal1_mdo1sup3.hkl Contains datablock kagco3_crystal1_mdo1
	Structure factor file (CIF format) https://doi.org/10.1107/S2052520615004138/wf5114kagco3_crystal2_mdo2sup4.hkl Contains datablock kagco3_crystal2_mdo2
	Structure factor file (CIF format) https://doi.org/10.1107/S2052520615004138/wf5114kagco3_crystal2_mdo1sup5.hkl Contains datablock kagco3_crystal2_mdo1

CCDC references: 1051453; 1051454; 1051455; 1051456

Computing details top

For all compounds, data collection: APEX2 (Bruker, 2012); cell refinement: SAINT-Plus (Bruker, 2012); data reduction: SAINT-Plus (Bruker, 2012); program(s) used to solve structure: by isomorphous structure method; program(s) used to refine structure: JANA 2006 (Petříček et al., 2014); molecular graphics: ATOMS (Dowty, 2006).

Figures top

(kagco3_crystal1_mdo2) top

Crystal data top

CAgKO₃	F(000) = 768
M_r = 207	D_x = 3.931 Mg m⁻³
Orthorhombic, Ibca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -I 2b 2c	Cell parameters from 7787 reflections
a = 20.3892 (4) Å	θ = 3.7–44.2°
b = 5.7721 (1) Å	µ = 6.77 mm⁻¹
c = 5.9409 (1) Å	T = 293 K
V = 699.18 (2) Å³	Plate, translucent yellow
Z = 8	0.12 × 0.08 × 0.01 mm

Data collection top

Bruker KAPPA APEX II diffractometer	1961 independent reflections
Radiation source: X-ray tube	1371 reflections with I > 3σ(I)
Graphite monochromator	R_int = 0.028
ω and ϕ–scans	θ_max = 44.5°, θ_min = 4°
Absorption correction: multi-scan SADABS	h = −38→38
T_min = 0.53, T_max = 0.94	k = −11→10
19643 measured reflections	l = −11→11

Refinement top

Refinement on F	23 constraints
R[F² > 2σ(F²)] = 0.020	Weighting scheme based on measured s.u.'s w = 1/(σ²(F) + 0.0001F²)
wR(F²) = 0.030	(Δ/σ)_max = 0.030
S = 1.57	Δρ_max = 0.52 e Å⁻³
1961 reflections	Δρ_min = −1.50 e Å⁻³
42 parameters	Extinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)
0 restraints	Extinction coefficient: 830 (40)

Crystal data top

CAgKO₃	V = 699.18 (2) Å³
M_r = 207	Z = 8
Orthorhombic, Ibca	Mo Kα radiation
a = 20.3892 (4) Å	µ = 6.77 mm⁻¹
b = 5.7721 (1) Å	T = 293 K
c = 5.9409 (1) Å	0.12 × 0.08 × 0.01 mm

Data collection top

Bruker KAPPA APEX II diffractometer	1961 independent reflections
Absorption correction: multi-scan SADABS	1371 reflections with I > 3σ(I)
T_min = 0.53, T_max = 0.94	R_int = 0.028
19643 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.020	42 parameters
wR(F²) = 0.030	0 restraints
S = 1.57	Δρ_max = 0.52 e Å⁻³
1961 reflections	Δρ_min = −1.50 e Å⁻³

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
K1	0.180488 (15)	0	0.25	0.01736 (8)
Ag1	0	0.25	0.365568 (17)	0.01846 (4)
C1	0.12715 (5)	0.5	0.25	0.0132 (2)
O1	0.09652 (4)	0.36441 (11)	0.38796 (11)	0.01823 (16)
O2	0.18918 (5)	0.5	0.25	0.0209 (2)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
K1	0.01486 (12)	0.01646 (15)	0.02075 (15)	0	0	0.00014 (8)
Ag1	0.01520 (6)	0.02427 (7)	0.01592 (6)	−0.00635 (3)	0	0
C1	0.0114 (4)	0.0128 (4)	0.0154 (4)	0	0	−0.0005 (3)
O1	0.0155 (3)	0.0200 (3)	0.0192 (3)	−0.0041 (2)	−0.0007 (2)	0.0048 (2)
O2	0.0101 (3)	0.0225 (4)	0.0302 (5)	0	0	0.0025 (3)

Geometric parameters (Å, º) top

K1—K1ⁱ	4.1059 (3)	K1—O1^xii	2.8583 (7)
K1—K1ⁱⁱ	4.1059 (3)	K1—O2^x	2.8915 (1)
K1—K1ⁱⁱⁱ	4.0453 (3)	K1—O2	2.8915 (1)
K1—K1^iv	4.0453 (3)	K1—O2^iv	2.6574 (10)
K1—K1^v	4.1416 (1)	K1—O2^v	2.9757 (1)
K1—K1^vi	4.1416 (1)	K1—O2^vi	2.9757 (1)
K1—K1^vii	4.1416 (1)	Ag1—Ag1^ix	3.1961 (1)
K1—K1^viii	4.1416 (1)	Ag1—Ag1^xiii	3.1961 (1)
K1—Ag1	4.0120 (3)	Ag1—Ag1^xiv	3.2986 (1)
K1—Ag1^ix	4.0120 (3)	Ag1—Ag1^xv	3.2986 (1)
K1—C1^x	3.0842 (4)	Ag1—Ag1^xii	2.9705 (2)
K1—C1	3.0842 (4)	Ag1—Ag1^xvi	2.9705 (2)
K1—C1^v	3.1633 (4)	Ag1—O1	2.0801 (7)
K1—C1^vi	3.1633 (4)	Ag1—O1^xvii	2.0801 (7)
K1—O1	2.8333 (7)	C1—O1	1.2939 (8)
K1—O1^xi	2.8333 (7)	C1—O1^xviii	1.2939 (8)
K1—O1^vi	2.8583 (7)	C1—O2	1.2647 (14)

K1ⁱ—K1—K1ⁱⁱ	92.681 (8)	Ag1^ix—K1—O2^x	72.374 (19)
K1ⁱ—K1—K1ⁱⁱⁱ	61.069 (4)	Ag1^ix—K1—O2	114.53 (2)
K1ⁱ—K1—K1^iv	61.069 (4)	Ag1^ix—K1—O2^iv	156.5272 (19)
K1ⁱ—K1—K1^v	58.743 (4)	Ag1^ix—K1—O2^v	83.326 (18)
K1ⁱ—K1—K1^vi	121.257 (7)	Ag1^ix—K1—O2^vi	103.029 (18)
K1ⁱ—K1—K1^vii	58.743 (4)	C1^x—K1—C1	138.70 (3)
K1ⁱ—K1—K1^viii	121.257 (7)	C1^x—K1—C1^v	83.037 (9)
K1ⁱ—K1—Ag1	139.204 (4)	C1^x—K1—C1^vi	83.037 (9)
K1ⁱ—K1—Ag1^ix	120.626 (4)	C1^x—K1—O1	118.79 (2)
K1ⁱ—K1—C1^x	104.090 (13)	C1^x—K1—O1^xi	24.797 (19)
K1ⁱ—K1—C1	104.090 (13)	C1^x—K1—O1^vi	62.132 (16)
K1ⁱ—K1—C1^v	63.768 (19)	C1^x—K1—O1^xii	92.579 (19)
K1ⁱ—K1—C1^vi	156.45 (2)	C1^x—K1—O2^x	24.16 (3)
K1ⁱ—K1—O1	128.789 (13)	C1^x—K1—O2	162.87 (3)
K1ⁱ—K1—O1^xi	101.999 (14)	C1^x—K1—O2^iv	110.65 (2)
K1ⁱ—K1—O1^vi	163.319 (13)	C1^x—K1—O2^v	91.203 (7)
K1ⁱ—K1—O1^xii	82.480 (14)	C1^x—K1—O2^vi	91.203 (7)
K1ⁱ—K1—O2^x	87.575 (14)	C1—K1—C1^v	83.037 (9)
K1ⁱ—K1—O2	87.575 (14)	C1—K1—C1^vi	83.037 (9)
K1ⁱ—K1—O2^iv	46.341 (4)	C1—K1—O1	24.797 (19)
K1ⁱ—K1—O2^v	40.246 (19)	C1—K1—O1^xi	118.79 (2)
K1ⁱ—K1—O2^vi	132.93 (2)	C1—K1—O1^vi	92.579 (19)
K1ⁱⁱ—K1—K1ⁱⁱⁱ	61.069 (4)	C1—K1—O1^xii	62.132 (16)
K1ⁱⁱ—K1—K1^iv	61.069 (4)	C1—K1—O2^x	162.87 (3)
K1ⁱⁱ—K1—K1^v	121.257 (7)	C1—K1—O2	24.16 (3)
K1ⁱⁱ—K1—K1^vi	58.743 (4)	C1—K1—O2^iv	110.65 (2)
K1ⁱⁱ—K1—K1^vii	121.257 (7)	C1—K1—O2^v	91.203 (7)
K1ⁱⁱ—K1—K1^viii	58.743 (4)	C1—K1—O2^vi	91.203 (7)
K1ⁱⁱ—K1—Ag1	120.626 (4)	C1^v—K1—C1^vi	139.78 (3)
K1ⁱⁱ—K1—Ag1^ix	139.204 (4)	C1^v—K1—O1	93.664 (19)
K1ⁱⁱ—K1—C1^x	104.090 (13)	C1^v—K1—O1^xi	61.354 (16)
K1ⁱⁱ—K1—C1	104.090 (13)	C1^v—K1—O1^vi	120.05 (2)
K1ⁱⁱ—K1—C1^v	156.45 (2)	C1^v—K1—O1^xii	24.139 (19)
K1ⁱⁱ—K1—C1^vi	63.768 (19)	C1^v—K1—O2^x	91.207 (7)
K1ⁱⁱ—K1—O1	101.999 (14)	C1^v—K1—O2	91.207 (7)
K1ⁱⁱ—K1—O1^xi	128.789 (13)	C1^v—K1—O2^iv	110.109 (19)
K1ⁱⁱ—K1—O1^vi	82.480 (14)	C1^v—K1—O2^v	23.52 (3)
K1ⁱⁱ—K1—O1^xii	163.319 (13)	C1^v—K1—O2^vi	163.30 (3)
K1ⁱⁱ—K1—O2^x	87.575 (14)	C1^vi—K1—O1	61.354 (16)
K1ⁱⁱ—K1—O2	87.575 (14)	C1^vi—K1—O1^xi	93.664 (19)
K1ⁱⁱ—K1—O2^iv	46.341 (4)	C1^vi—K1—O1^vi	24.139 (19)
K1ⁱⁱ—K1—O2^v	132.93 (2)	C1^vi—K1—O1^xii	120.05 (2)
K1ⁱⁱ—K1—O2^vi	40.246 (19)	C1^vi—K1—O2^x	91.207 (7)
K1ⁱⁱⁱ—K1—K1^iv	91.031 (8)	C1^vi—K1—O2	91.207 (7)
K1ⁱⁱⁱ—K1—K1^v	60.188 (4)	C1^vi—K1—O2^iv	110.109 (19)
K1ⁱⁱⁱ—K1—K1^vi	60.188 (4)	C1^vi—K1—O2^v	163.30 (3)
K1ⁱⁱⁱ—K1—K1^vii	119.812 (6)	C1^vi—K1—O2^vi	23.52 (3)
K1ⁱⁱⁱ—K1—K1^viii	119.812 (6)	O1—K1—O1^xi	105.65 (2)
K1ⁱⁱⁱ—K1—Ag1	154.071 (5)	O1—K1—O1^vi	67.892 (19)
K1ⁱⁱⁱ—K1—Ag1^ix	112.714 (4)	O1—K1—O1^xii	69.663 (19)
K1ⁱⁱⁱ—K1—C1^x	65.13 (2)	O1—K1—O2^x	141.08 (2)
K1ⁱⁱⁱ—K1—C1	156.16 (2)	O1—K1—O2	45.25 (2)
K1ⁱⁱⁱ—K1—C1^v	103.940 (13)	O1—K1—O2^iv	127.176 (15)
K1ⁱⁱⁱ—K1—C1^vi	103.940 (13)	O1—K1—O2^v	108.950 (18)
K1ⁱⁱⁱ—K1—O1	162.380 (14)	O1—K1—O2^vi	75.357 (17)
K1ⁱⁱⁱ—K1—O1^xi	83.901 (14)	O1^xi—K1—O1^vi	69.663 (19)
K1ⁱⁱⁱ—K1—O1^vi	102.966 (13)	O1^xi—K1—O1^xii	67.892 (19)
K1ⁱⁱⁱ—K1—O1^xii	127.956 (13)	O1^xi—K1—O2^x	45.25 (2)
K1ⁱⁱⁱ—K1—O2^x	40.971 (19)	O1^xi—K1—O2	141.08 (2)
K1ⁱⁱⁱ—K1—O2	132.00 (2)	O1^xi—K1—O2^iv	127.176 (15)
K1ⁱⁱⁱ—K1—O2^iv	45.515 (4)	O1^xi—K1—O2^v	75.357 (17)
K1ⁱⁱⁱ—K1—O2^v	87.609 (13)	O1^xi—K1—O2^vi	108.950 (18)
K1ⁱⁱⁱ—K1—O2^vi	87.609 (13)	O1^vi—K1—O1^xii	106.41 (2)
K1^iv—K1—K1^v	119.812 (6)	O1^vi—K1—O2^x	76.315 (17)
K1^iv—K1—K1^vi	119.812 (6)	O1^vi—K1—O2	108.059 (17)
K1^iv—K1—K1^vii	60.188 (4)	O1^vi—K1—O2^iv	126.797 (15)
K1^iv—K1—K1^viii	60.188 (4)	O1^vi—K1—O2^v	141.89 (2)
K1^iv—K1—Ag1	112.714 (4)	O1^vi—K1—O2^vi	44.32 (2)
K1^iv—K1—Ag1^ix	154.071 (5)	O1^xii—K1—O2^x	108.059 (17)
K1^iv—K1—C1^x	156.16 (2)	O1^xii—K1—O2	76.315 (17)
K1^iv—K1—C1	65.13 (2)	O1^xii—K1—O2^iv	126.797 (15)
K1^iv—K1—C1^v	103.940 (13)	O1^xii—K1—O2^v	44.32 (2)
K1^iv—K1—C1^vi	103.940 (13)	O1^xii—K1—O2^vi	141.89 (2)
K1^iv—K1—O1	83.901 (14)	O2^x—K1—O2	172.97 (3)
K1^iv—K1—O1^xi	162.380 (14)	O2^x—K1—O2^iv	86.49 (2)
K1^iv—K1—O1^vi	127.956 (13)	O2^x—K1—O2^v	89.7910 (17)
K1^iv—K1—O1^xii	102.966 (13)	O2^x—K1—O2^vi	89.7910 (17)
K1^iv—K1—O2^x	132.00 (2)	O2—K1—O2^iv	86.49 (2)
K1^iv—K1—O2	40.971 (19)	O2—K1—O2^v	89.7910 (17)
K1^iv—K1—O2^iv	45.515 (4)	O2—K1—O2^vi	89.7910 (17)
K1^iv—K1—O2^v	87.609 (13)	O2^iv—K1—O2^v	86.586 (19)
K1^iv—K1—O2^vi	87.609 (13)	O2^iv—K1—O2^vi	86.586 (19)
K1^v—K1—K1^vi	91.6513 (14)	O2^v—K1—O2^vi	173.17 (3)
K1^v—K1—K1^vii	88.3487 (14)	K1—Ag1—K1^xvii	160.293 (3)
K1^v—K1—K1^viii	180.0 (5)	K1—Ag1—Ag1^ix	66.5272 (19)
K1^v—K1—Ag1	111.924 (7)	K1—Ag1—Ag1^xiii	104.5523 (18)
K1^v—K1—Ag1^ix	68.076 (5)	K1—Ag1—Ag1^xiv	76.5954 (12)
K1^v—K1—C1^x	49.301 (7)	K1—Ag1—Ag1^xv	113.4259 (19)
K1^v—K1—C1	130.699 (8)	K1—Ag1—Ag1^xii	80.1464 (16)
K1^v—K1—C1^v	47.662 (7)	K1—Ag1—Ag1^xvi	99.8536 (16)
K1^v—K1—C1^vi	132.338 (8)	K1—Ag1—O1	42.041 (18)
K1^v—K1—O1	136.454 (16)	K1—Ag1—O1^xvii	139.868 (18)
K1^v—K1—O1^xi	43.546 (14)	K1^xvii—Ag1—Ag1^ix	104.5523 (18)
K1^v—K1—O1^vi	110.420 (14)	K1^xvii—Ag1—Ag1^xiii	66.5272 (19)
K1^v—K1—O1^xii	69.580 (13)	K1^xvii—Ag1—Ag1^xiv	113.4259 (19)
K1^v—K1—O2^x	45.9302 (14)	K1^xvii—Ag1—Ag1^xv	76.5954 (12)
K1^v—K1—O2	134.0698 (15)	K1^xvii—Ag1—Ag1^xii	80.1464 (16)
K1^v—K1—O2^iv	90.000 (6)	K1^xvii—Ag1—Ag1^xvi	99.8536 (16)
K1^v—K1—O2^v	44.2789 (14)	K1^xvii—Ag1—O1	139.868 (18)
K1^v—K1—O2^vi	135.7211 (15)	K1^xvii—Ag1—O1^xvii	42.041 (18)
K1^vi—K1—K1^vii	180.0 (5)	Ag1^ix—Ag1—Ag1^xiii	129.111 (4)
K1^vi—K1—K1^viii	88.3487 (14)	Ag1^ix—Ag1—Ag1^xiv	54.407 (3)
K1^vi—K1—Ag1	97.348 (6)	Ag1^ix—Ag1—Ag1^xv	176.482 (4)
K1^vi—K1—Ag1^ix	82.652 (5)	Ag1^ix—Ag1—Ag1^xii	64.555 (2)
K1^vi—K1—C1^x	49.301 (7)	Ag1^ix—Ag1—Ag1^xvi	115.445 (2)
K1^vi—K1—C1	130.699 (8)	Ag1^ix—Ag1—O1	108.311 (18)
K1^vi—K1—C1^v	132.338 (8)	Ag1^ix—Ag1—O1^xvii	74.976 (17)
K1^vi—K1—C1^vi	47.662 (7)	Ag1^xiii—Ag1—Ag1^xiv	176.482 (4)
K1^vi—K1—O1	108.051 (14)	Ag1^xiii—Ag1—Ag1^xv	54.407 (3)
K1^vi—K1—O1^xi	71.949 (13)	Ag1^xiii—Ag1—Ag1^xii	64.555 (2)
K1^vi—K1—O1^vi	43.071 (14)	Ag1^xiii—Ag1—Ag1^xvi	115.445 (2)
K1^vi—K1—O1^xii	136.929 (16)	Ag1^xiii—Ag1—O1	74.976 (17)
K1^vi—K1—O2^x	45.9302 (14)	Ag1^xiii—Ag1—O1^xvii	108.311 (18)
K1^vi—K1—O2	134.0698 (15)	Ag1^xiv—Ag1—Ag1^xv	122.075 (4)
K1^vi—K1—O2^iv	90.000 (6)	Ag1^xiv—Ag1—Ag1^xii	118.962 (2)
K1^vi—K1—O2^v	135.7211 (15)	Ag1^xiv—Ag1—Ag1^xvi	61.038 (2)
K1^vi—K1—O2^vi	44.2789 (14)	Ag1^xiv—Ag1—O1	104.289 (17)
K1^vii—K1—K1^viii	91.6513 (14)	Ag1^xiv—Ag1—O1^xvii	72.015 (18)
K1^vii—K1—Ag1	82.652 (5)	Ag1^xv—Ag1—Ag1^xii	118.962 (2)
K1^vii—K1—Ag1^ix	97.348 (6)	Ag1^xv—Ag1—Ag1^xvi	61.038 (2)
K1^vii—K1—C1^x	130.699 (8)	Ag1^xv—Ag1—O1	72.015 (18)
K1^vii—K1—C1	49.301 (7)	Ag1^xv—Ag1—O1^xvii	104.289 (17)
K1^vii—K1—C1^v	47.662 (7)	Ag1^xii—Ag1—Ag1^xvi	180.0 (5)
K1^vii—K1—C1^vi	132.338 (8)	Ag1^xii—Ag1—O1	93.667 (18)
K1^vii—K1—O1	71.949 (13)	Ag1^xii—Ag1—O1^xvii	93.667 (18)
K1^vii—K1—O1^xi	108.051 (14)	Ag1^xvi—Ag1—O1	86.333 (18)
K1^vii—K1—O1^vi	136.929 (16)	Ag1^xvi—Ag1—O1^xvii	86.333 (18)
K1^vii—K1—O1^xii	43.071 (14)	O1—Ag1—O1^xvii	172.67 (3)
K1^vii—K1—O2^x	134.0698 (15)	K1—C1—K1^xix	138.70 (4)
K1^vii—K1—O2	45.9302 (14)	K1—C1—K1^vii	83.037 (13)
K1^vii—K1—O2^iv	90.000 (6)	K1—C1—K1^viii	83.037 (13)
K1^vii—K1—O2^v	44.2789 (14)	K1—C1—O1	66.69 (3)
K1^vii—K1—O2^vi	135.7211 (15)	K1—C1—O1^xviii	137.41 (3)
K1^viii—K1—Ag1	68.076 (5)	K1—C1—O2	69.35 (2)
K1^viii—K1—Ag1^ix	111.924 (7)	K1^xix—C1—K1^vii	83.037 (13)
K1^viii—K1—C1^x	130.699 (8)	K1^xix—C1—K1^viii	83.037 (13)
K1^viii—K1—C1	49.301 (7)	K1^xix—C1—O1	137.41 (3)
K1^viii—K1—C1^v	132.338 (8)	K1^xix—C1—O1^xviii	66.69 (3)
K1^viii—K1—C1^vi	47.662 (7)	K1^xix—C1—O2	69.35 (2)
K1^viii—K1—O1	43.546 (14)	K1^vii—C1—K1^viii	139.78 (4)
K1^viii—K1—O1^xi	136.454 (16)	K1^vii—C1—O1	139.53 (3)
K1^viii—K1—O1^vi	69.580 (13)	K1^vii—C1—O1^xviii	64.60 (3)
K1^viii—K1—O1^xii	110.420 (14)	K1^vii—C1—O2	69.891 (19)
K1^viii—K1—O2^x	134.0698 (15)	K1^viii—C1—O1	64.60 (3)
K1^viii—K1—O2	45.9302 (14)	K1^viii—C1—O1^xviii	139.53 (3)
K1^viii—K1—O2^iv	90.000 (6)	K1^viii—C1—O2	69.891 (19)
K1^viii—K1—O2^v	135.7211 (15)	O1—C1—O1^xviii	122.28 (10)
K1^viii—K1—O2^vi	44.2789 (14)	O1—C1—O2	118.86 (5)
Ag1—K1—Ag1^ix	46.946 (4)	O1^xviii—C1—O2	118.86 (5)
Ag1—K1—C1^x	90.75 (2)	K1—O1—K1^viii	93.38 (2)
Ag1—K1—C1	48.699 (19)	K1—O1—Ag1	108.51 (3)
Ag1—K1—C1^v	81.103 (18)	K1—O1—C1	88.52 (4)
Ag1—K1—C1^vi	61.572 (18)	K1^viii—O1—Ag1	134.57 (3)
Ag1—K1—O1	29.448 (14)	K1^viii—O1—C1	91.26 (4)
Ag1—K1—O1^xi	76.247 (15)	Ag1—O1—C1	127.46 (6)
Ag1—K1—O1^vi	54.570 (14)	K1—O2—K1^xix	172.97 (4)
Ag1—K1—O1^xii	58.726 (14)	K1—O2—K1^iv	93.51 (2)
Ag1—K1—O2^x	114.53 (2)	K1—O2—K1^vii	89.791 (2)
Ag1—K1—O2	72.374 (19)	K1—O2—K1^viii	89.791 (2)
Ag1—K1—O2^iv	156.5272 (19)	K1—O2—C1	86.49 (2)
Ag1—K1—O2^v	103.029 (18)	K1^xix—O2—K1^iv	93.51 (2)
Ag1—K1—O2^vi	83.326 (18)	K1^xix—O2—K1^vii	89.791 (2)
Ag1^ix—K1—C1^x	48.699 (19)	K1^xix—O2—K1^viii	89.791 (2)
Ag1^ix—K1—C1	90.75 (2)	K1^xix—O2—C1	86.49 (2)
Ag1^ix—K1—C1^v	61.572 (18)	K1^iv—O2—K1^vii	93.414 (19)
Ag1^ix—K1—C1^vi	81.103 (18)	K1^iv—O2—K1^viii	93.414 (19)
Ag1^ix—K1—O1	76.247 (15)	K1^iv—O2—C1	180.0 (5)
Ag1^ix—K1—O1^xi	29.448 (14)	K1^vii—O2—K1^viii	173.17 (4)
Ag1^ix—K1—O1^vi	58.726 (14)	K1^vii—O2—C1	86.586 (19)
Ag1^ix—K1—O1^xii	54.570 (14)	K1^viii—O2—C1	86.586 (19)

Symmetry codes: (i) −x+1/2, −y, z−1/2; (ii) −x+1/2, −y, z+1/2; (iii) −x+1/2, −y−1/2, −z+1/2; (iv) −x+1/2, −y+1/2, −z+1/2; (v) x, y−1/2, −z; (vi) x, y−1/2, −z+1; (vii) x, y+1/2, −z; (viii) x, y+1/2, −z+1; (ix) −x, y−1/2, −z+1/2; (x) x, y−1, z; (xi) x, −y, −z+1/2; (xii) x, −y+1/2, z−1/2; (xiii) −x, y+1/2, −z+1/2; (xiv) −x, −y, −z+1; (xv) −x, −y+1, −z+1; (xvi) x, −y+1/2, z+1/2; (xvii) −x, −y+1/2, z; (xviii) x, −y+1, −z+1/2; (xix) x, y+1, z.

(kagco3_crystal1_mdo1) top

Crystal data top

CAgKO₃	F(000) = 384
M_r = 207	D_x = 3.931 Mg m⁻³
Orthorhombic, Pccb	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2b 2c	Cell parameters from 7787 reflections
a = 10.1946 (2) Å	θ = 3.7–44.2°
b = 5.7721 (1) Å	µ = 6.77 mm⁻¹
c = 5.9409 (1) Å	T = 293 K
V = 349.59 (1) Å³	Plate, translucent yellow
Z = 4	0.12 × 0.08 × 0.01 mm

Data collection top

Bruker KAPPA APEX II diffractometer	1961 independent reflections
Radiation source: X-ray tube	1371 reflections with I > 3σ(I)
Graphite monochromator	R_int = 0.028
ω and ϕ–scans	θ_max = 44.5°, θ_min = 4°
Absorption correction: multi-scan SADABS	h = −19→19
T_min = 0.53, T_max = 0.94	k = −11→10
19643 measured reflections	l = −11→11

Refinement top

Refinement on F	23 constraints
R[F² > 2σ(F²)] = 0.020	Weighting scheme based on measured s.u.'s w = 1/(σ²(F) + 0.0001F²)
wR(F²) = 0.030	(Δ/σ)_max = 0.030
S = 1.57	Δρ_max = 4.95 e Å⁻³
1961 reflections	Δρ_min = −7.25 e Å⁻³
42 parameters	Extinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)
0 restraints	Extinction coefficient: 830 (40)

Crystal data top

CAgKO₃	V = 349.59 (1) Å³
M_r = 207	Z = 4
Orthorhombic, Pccb	Mo Kα radiation
a = 10.1946 (2) Å	µ = 6.77 mm⁻¹
b = 5.7721 (1) Å	T = 293 K
c = 5.9409 (1) Å	0.12 × 0.08 × 0.01 mm

Data collection top

Bruker KAPPA APEX II diffractometer	1961 independent reflections
Absorption correction: multi-scan SADABS	1371 reflections with I > 3σ(I)
T_min = 0.53, T_max = 0.94	R_int = 0.028
19643 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.020	42 parameters
wR(F²) = 0.030	0 restraints
S = 1.57	Δρ_max = 4.95 e Å⁻³
1961 reflections	Δρ_min = −7.25 e Å⁻³

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
K1_2	0.3502 (6)	0	0.25	0.0086 (13)
Ag1_2	0	0.25	0.36606 (13)	0.0214 (2)
C1_2	0.25430 (11)	0.5	0.25	0.01035 (18)
O1_2	0.19304 (7)	0.36441 (11)	0.38796 (11)	0.01436 (13)
O2_2	0.37836 (9)	0.5	0.25	0.0184 (2)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
K1_2	0.015 (3)	0.005 (2)	0.0053 (19)	0	0	0.0000 (5)
Ag1_2	0.0152 (3)	0.0287 (5)	0.0202 (4)	−0.0071 (6)	0	0
C1_2	0.00286 (9)	0.0128 (4)	0.0154 (4)	0	0	−0.0005 (3)
O1_2	0.00388 (7)	0.0200 (3)	0.0192 (3)	−0.00207 (10)	−0.00037 (10)	0.0048 (2)
O2_2	0.00251 (9)	0.0225 (4)	0.0302 (5)	0	0	0.0025 (3)

Geometric parameters (Å, º) top

K1_2—K1_2ⁱ	4.202 (6)	K1_2—O1_2	2.768 (4)
K1_2—K1_2ⁱⁱ	4.202 (6)	K1_2—O1_2^xi	2.768 (4)
K1_2—K1_2ⁱⁱⁱ	4.261 (6)	K1_2—O1_2^vi	2.794 (3)
K1_2—K1_2^iv	4.261 (6)	K1_2—O1_2^xii	2.794 (3)
K1_2—K1_2^v	4.1416 (1)	K1_2—O2_2^x	2.9003 (6)
K1_2—K1_2^vi	4.1416 (1)	K1_2—O2_2	2.9003 (6)
K1_2—K1_2^vii	4.1416 (1)	K1_2—O2_2ⁱⁱ	2.767 (6)
K1_2—K1_2^viii	4.1416 (1)	Ag1_2—Ag1_2^xii	2.9704 (11)
K1_2—Ag1_2	3.912 (5)	Ag1_2—Ag1_2^xiii	2.9704 (11)
K1_2—Ag1_2^ix	3.912 (5)	Ag1_2—O1_2	2.0799 (7)
K1_2—C1_2^x	3.0471 (19)	Ag1_2—O1_2^xiv	2.0799 (7)
K1_2—C1_2	3.0471 (19)	C1_2—O1_2	1.2939 (8)
K1_2—C1_2^v	3.1272 (19)	C1_2—O1_2^xv	1.2939 (8)
K1_2—C1_2^vi	3.1272 (19)	C1_2—O2_2	1.2647 (15)

K1_2ⁱ—K1_2—K1_2ⁱⁱ	86.75 (14)	K1_2^viii—K1_2—O2_2^x	133.90 (3)
K1_2ⁱ—K1_2—K1_2ⁱⁱⁱ	58.60 (8)	K1_2^viii—K1_2—O2_2	46.098 (11)
K1_2ⁱ—K1_2—K1_2^iv	58.60 (8)	K1_2^viii—K1_2—O2_2ⁱⁱ	90.00 (12)
K1_2ⁱ—K1_2—K1_2^v	61.41 (8)	Ag1_2—K1_2—Ag1_2^ix	48.26 (7)
K1_2ⁱ—K1_2—K1_2^vi	61.41 (8)	Ag1_2—K1_2—C1_2^x	93.24 (14)
K1_2ⁱ—K1_2—K1_2^vii	118.59 (13)	Ag1_2—K1_2—C1_2	50.05 (8)
K1_2ⁱ—K1_2—K1_2^viii	118.59 (13)	Ag1_2—K1_2—C1_2^v	83.23 (12)
K1_2ⁱ—K1_2—Ag1_2	156.45 (9)	Ag1_2—K1_2—C1_2^vi	63.08 (9)
K1_2ⁱ—K1_2—Ag1_2^ix	114.20 (6)	Ag1_2—K1_2—O1_2	30.61 (7)
K1_2ⁱ—K1_2—C1_2^x	65.34 (8)	Ag1_2—K1_2—O1_2^xi	78.71 (14)
K1_2ⁱ—K1_2—C1_2	152.09 (17)	Ag1_2—K1_2—O1_2^vi	56.24 (10)
K1_2ⁱ—K1_2—C1_2^v	103.13 (6)	Ag1_2—K1_2—O1_2^xii	60.59 (10)
K1_2ⁱ—K1_2—C1_2^vi	103.13 (6)	Ag1_2—K1_2—O2_2^x	117.22 (15)
K1_2ⁱ—K1_2—O1_2	160.48 (10)	Ag1_2—K1_2—O2_2	73.93 (9)
K1_2ⁱ—K1_2—O1_2^xi	84.19 (7)	Ag1_2—K1_2—O2_2ⁱⁱ	155.87 (4)
K1_2ⁱ—K1_2—O1_2^vi	102.97 (5)	Ag1_2^ix—K1_2—C1_2^x	50.05 (8)
K1_2ⁱ—K1_2—O1_2^xii	127.53 (5)	Ag1_2^ix—K1_2—C1_2	93.24 (14)
K1_2ⁱ—K1_2—O2_2^x	40.94 (9)	Ag1_2^ix—K1_2—C1_2^v	63.08 (9)
K1_2ⁱ—K1_2—O2_2	127.70 (18)	Ag1_2^ix—K1_2—C1_2^vi	83.23 (12)
K1_2ⁱ—K1_2—O2_2ⁱⁱ	43.38 (8)	Ag1_2^ix—K1_2—O1_2	78.71 (14)
K1_2ⁱⁱ—K1_2—K1_2ⁱⁱⁱ	58.60 (8)	Ag1_2^ix—K1_2—O1_2^xi	30.61 (7)
K1_2ⁱⁱ—K1_2—K1_2^iv	58.60 (8)	Ag1_2^ix—K1_2—O1_2^vi	60.59 (10)
K1_2ⁱⁱ—K1_2—K1_2^v	118.59 (13)	Ag1_2^ix—K1_2—O1_2^xii	56.24 (10)
K1_2ⁱⁱ—K1_2—K1_2^vi	118.59 (13)	Ag1_2^ix—K1_2—O2_2^x	73.93 (9)
K1_2ⁱⁱ—K1_2—K1_2^vii	61.41 (8)	Ag1_2^ix—K1_2—O2_2	117.22 (15)
K1_2ⁱⁱ—K1_2—K1_2^viii	61.41 (8)	Ag1_2^ix—K1_2—O2_2ⁱⁱ	155.87 (4)
K1_2ⁱⁱ—K1_2—Ag1_2	114.20 (6)	C1_2^x—K1_2—C1_2	142.6 (2)
K1_2ⁱⁱ—K1_2—Ag1_2^ix	156.45 (9)	C1_2^x—K1_2—C1_2^v	84.24 (6)
K1_2ⁱⁱ—K1_2—C1_2^x	152.09 (17)	C1_2^x—K1_2—C1_2^vi	84.24 (6)
K1_2ⁱⁱ—K1_2—C1_2	65.34 (8)	C1_2^x—K1_2—O1_2	122.28 (19)
K1_2ⁱⁱ—K1_2—C1_2^v	103.13 (6)	C1_2^x—K1_2—O1_2^xi	25.13 (3)
K1_2ⁱⁱ—K1_2—C1_2^vi	103.13 (6)	C1_2^x—K1_2—O1_2^vi	63.30 (6)
K1_2ⁱⁱ—K1_2—O1_2	84.19 (7)	C1_2^x—K1_2—O1_2^xii	94.66 (11)
K1_2ⁱⁱ—K1_2—O1_2^xi	160.48 (10)	C1_2^x—K1_2—O2_2^x	24.39 (3)
K1_2ⁱⁱ—K1_2—O1_2^vi	127.53 (5)	C1_2^x—K1_2—O2_2	167.0 (2)
K1_2ⁱⁱ—K1_2—O1_2^xii	102.97 (5)	C1_2^x—K1_2—O2_2ⁱⁱ	108.71 (11)
K1_2ⁱⁱ—K1_2—O2_2^x	127.70 (18)	C1_2—K1_2—C1_2^v	84.24 (6)
K1_2ⁱⁱ—K1_2—O2_2	40.94 (9)	C1_2—K1_2—C1_2^vi	84.24 (6)
K1_2ⁱⁱ—K1_2—O2_2ⁱⁱ	43.38 (8)	C1_2—K1_2—O1_2	25.13 (3)
K1_2ⁱⁱⁱ—K1_2—K1_2^iv	88.40 (14)	C1_2—K1_2—O1_2^xi	122.28 (19)
K1_2ⁱⁱⁱ—K1_2—K1_2^v	60.00 (8)	C1_2—K1_2—O1_2^vi	94.66 (11)
K1_2ⁱⁱⁱ—K1_2—K1_2^vi	120.00 (13)	C1_2—K1_2—O1_2^xii	63.30 (6)
K1_2ⁱⁱⁱ—K1_2—K1_2^vii	60.00 (8)	C1_2—K1_2—O2_2^x	167.0 (2)
K1_2ⁱⁱⁱ—K1_2—K1_2^viii	120.00 (13)	C1_2—K1_2—O2_2	24.39 (3)
K1_2ⁱⁱⁱ—K1_2—Ag1_2	141.00 (6)	C1_2—K1_2—O2_2ⁱⁱ	108.71 (11)
K1_2ⁱⁱⁱ—K1_2—Ag1_2^ix	122.10 (6)	C1_2^v—K1_2—C1_2^vi	143.6 (2)
K1_2ⁱⁱⁱ—K1_2—C1_2^x	103.30 (6)	C1_2^v—K1_2—O1_2	95.76 (11)
K1_2ⁱⁱⁱ—K1_2—C1_2	103.30 (6)	C1_2^v—K1_2—O1_2^xi	62.47 (6)
K1_2ⁱⁱⁱ—K1_2—C1_2^v	64.02 (8)	C1_2^v—K1_2—O1_2^vi	123.50 (19)
K1_2ⁱⁱⁱ—K1_2—C1_2^vi	152.42 (17)	C1_2^v—K1_2—O1_2^xii	24.42 (2)
K1_2ⁱⁱⁱ—K1_2—O1_2	128.41 (5)	C1_2^v—K1_2—O2_2^x	91.77 (3)
K1_2ⁱⁱⁱ—K1_2—O1_2^xi	102.03 (6)	C1_2^v—K1_2—O2_2	91.77 (3)
K1_2ⁱⁱⁱ—K1_2—O1_2^vi	161.41 (10)	C1_2^v—K1_2—O2_2ⁱⁱ	108.22 (11)
K1_2ⁱⁱⁱ—K1_2—O1_2^xii	82.78 (7)	C1_2^vi—K1_2—O1_2	62.47 (6)
K1_2ⁱⁱⁱ—K1_2—O2_2^x	85.93 (9)	C1_2^vi—K1_2—O1_2^xi	95.76 (11)
K1_2ⁱⁱⁱ—K1_2—O2_2	85.93 (9)	C1_2^vi—K1_2—O1_2^vi	24.42 (2)
K1_2ⁱⁱⁱ—K1_2—O2_2ⁱⁱ	44.20 (8)	C1_2^vi—K1_2—O1_2^xii	123.50 (19)
K1_2^iv—K1_2—K1_2^v	120.00 (13)	C1_2^vi—K1_2—O2_2^x	91.77 (3)
K1_2^iv—K1_2—K1_2^vi	60.00 (8)	C1_2^vi—K1_2—O2_2	91.77 (3)
K1_2^iv—K1_2—K1_2^vii	120.00 (13)	C1_2^vi—K1_2—O2_2ⁱⁱ	108.22 (11)
K1_2^iv—K1_2—K1_2^viii	60.00 (8)	O1_2—K1_2—O1_2^xi	109.3 (2)
K1_2^iv—K1_2—Ag1_2	122.10 (6)	O1_2—K1_2—O1_2^vi	69.70 (10)
K1_2^iv—K1_2—Ag1_2^ix	141.00 (6)	O1_2—K1_2—O1_2^xii	71.53 (10)
K1_2^iv—K1_2—C1_2^x	103.30 (6)	O1_2—K1_2—O2_2^x	144.43 (18)
K1_2^iv—K1_2—C1_2	103.30 (6)	O1_2—K1_2—O2_2	45.67 (3)
K1_2^iv—K1_2—C1_2^v	152.42 (17)	O1_2—K1_2—O2_2ⁱⁱ	125.36 (10)
K1_2^iv—K1_2—C1_2^vi	64.02 (8)	O1_2^xi—K1_2—O1_2^vi	71.53 (10)
K1_2^iv—K1_2—O1_2	102.03 (6)	O1_2^xi—K1_2—O1_2^xii	69.70 (10)
K1_2^iv—K1_2—O1_2^xi	128.41 (5)	O1_2^xi—K1_2—O2_2^x	45.67 (3)
K1_2^iv—K1_2—O1_2^vi	82.78 (7)	O1_2^xi—K1_2—O2_2	144.43 (18)
K1_2^iv—K1_2—O1_2^xii	161.41 (10)	O1_2^xi—K1_2—O2_2ⁱⁱ	125.36 (10)
K1_2^iv—K1_2—O2_2^x	85.93 (9)	O1_2^vi—K1_2—O1_2^xii	110.0 (2)
K1_2^iv—K1_2—O2_2	85.93 (9)	O1_2^vi—K1_2—O2_2^x	77.17 (5)
K1_2^iv—K1_2—O2_2ⁱⁱ	44.20 (8)	O1_2^vi—K1_2—O2_2	109.60 (8)
K1_2^v—K1_2—K1_2^vi	91.6513 (14)	O1_2^vi—K1_2—O2_2ⁱⁱ	124.99 (10)
K1_2^v—K1_2—K1_2^vii	88.3487 (14)	O1_2^xii—K1_2—O2_2^x	109.60 (8)
K1_2^v—K1_2—K1_2^viii	180.0 (5)	O1_2^xii—K1_2—O2_2	77.17 (5)
K1_2^v—K1_2—Ag1_2	112.55 (14)	O1_2^xii—K1_2—O2_2ⁱⁱ	124.99 (10)
K1_2^v—K1_2—Ag1_2^ix	67.45 (10)	O2_2^x—K1_2—O2_2	168.6 (2)
K1_2^v—K1_2—C1_2^x	48.70 (4)	O2_2^x—K1_2—O2_2ⁱⁱ	84.32 (12)
K1_2^v—K1_2—C1_2	131.30 (8)	O2_2—K1_2—O2_2ⁱⁱ	84.32 (12)
K1_2^v—K1_2—C1_2^v	47.06 (4)	K1_2—Ag1_2—K1_2^xiv	159.70 (3)
K1_2^v—K1_2—C1_2^vi	132.94 (8)	K1_2—Ag1_2—Ag1_2^xii	79.848 (18)
K1_2^v—K1_2—O1_2	137.89 (17)	K1_2—Ag1_2—Ag1_2^xiii	100.152 (18)
K1_2^v—K1_2—O1_2^xi	42.11 (7)	K1_2—Ag1_2—O1_2	42.66 (4)
K1_2^v—K1_2—O1_2^vi	110.91 (9)	K1_2—Ag1_2—O1_2^xiv	139.24 (4)
K1_2^v—K1_2—O1_2^xii	69.09 (6)	K1_2^xiv—Ag1_2—Ag1_2^xii	79.848 (18)
K1_2^v—K1_2—O2_2^x	46.098 (11)	K1_2^xiv—Ag1_2—Ag1_2^xiii	100.152 (18)
K1_2^v—K1_2—O2_2	133.90 (3)	K1_2^xiv—Ag1_2—O1_2	139.24 (4)
K1_2^v—K1_2—O2_2ⁱⁱ	90.00 (12)	K1_2^xiv—Ag1_2—O1_2^xiv	42.66 (4)
K1_2^vi—K1_2—K1_2^vii	180.0 (5)	Ag1_2^xii—Ag1_2—Ag1_2^xiii	180.0 (5)
K1_2^vi—K1_2—K1_2^viii	88.3487 (14)	Ag1_2^xii—Ag1_2—O1_2	93.59 (3)
K1_2^vi—K1_2—Ag1_2	97.51 (12)	Ag1_2^xii—Ag1_2—O1_2^xiv	93.59 (3)
K1_2^vi—K1_2—Ag1_2^ix	82.49 (10)	Ag1_2^xiii—Ag1_2—O1_2	86.41 (3)
K1_2^vi—K1_2—C1_2^x	48.70 (4)	Ag1_2^xiii—Ag1_2—O1_2^xiv	86.41 (3)
K1_2^vi—K1_2—C1_2	131.30 (8)	O1_2—Ag1_2—O1_2^xiv	172.83 (5)
K1_2^vi—K1_2—C1_2^v	132.94 (8)	K1_2—C1_2—K1_2^xvi	142.57 (16)
K1_2^vi—K1_2—C1_2^vi	47.06 (4)	K1_2—C1_2—K1_2^vii	84.24 (5)
K1_2^vi—K1_2—O1_2	108.49 (9)	K1_2—C1_2—K1_2^viii	84.24 (5)
K1_2^vi—K1_2—O1_2^xi	71.51 (6)	K1_2—C1_2—O1_2	65.29 (8)
K1_2^vi—K1_2—O1_2^vi	41.64 (7)	K1_2—C1_2—O1_2^xv	136.69 (5)
K1_2^vi—K1_2—O1_2^xii	138.36 (17)	K1_2—C1_2—O2_2	71.29 (11)
K1_2^vi—K1_2—O2_2^x	46.098 (11)	K1_2^xvi—C1_2—K1_2^vii	84.24 (5)
K1_2^vi—K1_2—O2_2	133.90 (3)	K1_2^xvi—C1_2—K1_2^viii	84.24 (5)
K1_2^vi—K1_2—O2_2ⁱⁱ	90.00 (12)	K1_2^xvi—C1_2—O1_2	136.69 (5)
K1_2^vii—K1_2—K1_2^viii	91.6513 (14)	K1_2^xvi—C1_2—O1_2^xv	65.29 (8)
K1_2^vii—K1_2—Ag1_2	82.49 (10)	K1_2^xvi—C1_2—O2_2	71.29 (11)
K1_2^vii—K1_2—Ag1_2^ix	97.51 (12)	K1_2^vii—C1_2—K1_2^viii	143.57 (15)
K1_2^vii—K1_2—C1_2^x	131.30 (8)	K1_2^vii—C1_2—O1_2	138.81 (5)
K1_2^vii—K1_2—C1_2	48.70 (4)	K1_2^vii—C1_2—O1_2^xv	63.21 (8)
K1_2^vii—K1_2—C1_2^v	47.06 (4)	K1_2^vii—C1_2—O2_2	71.78 (11)
K1_2^vii—K1_2—C1_2^vi	132.94 (8)	K1_2^viii—C1_2—O1_2	63.21 (8)
K1_2^vii—K1_2—O1_2	71.51 (6)	K1_2^viii—C1_2—O1_2^xv	138.81 (5)
K1_2^vii—K1_2—O1_2^xi	108.49 (9)	K1_2^viii—C1_2—O2_2	71.78 (11)
K1_2^vii—K1_2—O1_2^vi	138.36 (17)	O1_2—C1_2—O1_2^xv	122.28 (10)
K1_2^vii—K1_2—O1_2^xii	41.64 (7)	O1_2—C1_2—O2_2	118.86 (5)
K1_2^vii—K1_2—O2_2^x	133.90 (3)	O1_2^xv—C1_2—O2_2	118.86 (5)
K1_2^vii—K1_2—O2_2	46.098 (11)	K1_2—O1_2—K1_2^viii	96.25 (11)
K1_2^vii—K1_2—O2_2ⁱⁱ	90.00 (12)	K1_2—O1_2—Ag1_2	106.73 (10)
K1_2^viii—K1_2—Ag1_2	67.45 (10)	K1_2—O1_2—C1_2	89.58 (7)
K1_2^viii—K1_2—Ag1_2^ix	112.55 (14)	K1_2^viii—O1_2—Ag1_2	132.82 (10)
K1_2^viii—K1_2—C1_2^x	131.30 (8)	K1_2^viii—O1_2—C1_2	92.37 (8)
K1_2^viii—K1_2—C1_2	48.70 (4)	Ag1_2—O1_2—C1_2	127.52 (6)
K1_2^viii—K1_2—C1_2^v	132.94 (8)	K1_2—O2_2—K1_2^xvi	168.64 (17)
K1_2^viii—K1_2—C1_2^vi	47.06 (4)	K1_2—O2_2—K1_2ⁱⁱ	95.68 (12)
K1_2^viii—K1_2—O1_2	42.11 (7)	K1_2—O2_2—C1_2	84.32 (12)
K1_2^viii—K1_2—O1_2^xi	137.89 (17)	K1_2^xvi—O2_2—K1_2ⁱⁱ	95.68 (12)
K1_2^viii—K1_2—O1_2^vi	69.09 (6)	K1_2^xvi—O2_2—C1_2	84.32 (12)
K1_2^viii—K1_2—O1_2^xii	110.91 (9)	K1_2ⁱⁱ—O2_2—C1_2	180.0 (5)

Symmetry codes: (i) −x+1, −y−1/2, z; (ii) −x+1, −y+1/2, z; (iii) −x+1, −y, −z; (iv) −x+1, −y, −z+1; (v) x, y−1/2, −z; (vi) x, y−1/2, −z+1; (vii) x, y+1/2, −z; (viii) x, y+1/2, −z+1; (ix) −x, y−1/2, −z+1/2; (x) x, y−1, z; (xi) x, −y, −z+1/2; (xii) x, −y+1/2, z−1/2; (xiii) x, −y+1/2, z+1/2; (xiv) −x, −y+1/2, z; (xv) x, −y+1, −z+1/2; (xvi) x, y+1, z.

(kagco3_crystal2_mdo1) top

Crystal data top

CAgKO₃	F(000) = 384
M_r = 207	D_x = 3.931 Mg m⁻³
Orthorhombic, Pccb	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2b 2c	Cell parameters from 7323 reflections
a = 10.1933 (1) Å	θ = 4.0–39.9°
b = 5.7731 (1) Å	µ = 6.77 mm⁻¹
c = 5.9406 (1) Å	T = 293 K
V = 349.59 (1) Å³	Needle, translucent yellow
Z = 4	0.10 × 0.02 × 0.01 mm

Data collection top

Bruker KAPPA APEX II diffractometer	1555 independent reflections
Radiation source: X-ray tube	1154 reflections with I > 3σ(I)
Graphite monochromator	R_int = 0.042
ω and ϕ–scans	θ_max = 40.1°, θ_min = 2°
Absorption correction: multi-scan SADABS	h = −35→36
T_min = 0.85, T_max = 0.94	k = −10→10
20827 measured reflections	l = −10→10

Refinement top

Refinement on F	23 constraints
R[F² > 2σ(F²)] = 0.018	Weighting scheme based on measured s.u.'s w = 1/(σ²(F) + 0.0001F²)
wR(F²) = 0.031	(Δ/σ)_max = 0.028
S = 1.53	Δρ_max = 1.21 e Å⁻³
1555 reflections	Δρ_min = −1.42 e Å⁻³
42 parameters	Extinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)
0 restraints	Extinction coefficient: 450 (19)

Crystal data top

CAgKO₃	V = 349.59 (1) Å³
M_r = 207	Z = 4
Orthorhombic, Pccb	Mo Kα radiation
a = 10.1933 (1) Å	µ = 6.77 mm⁻¹
b = 5.7731 (1) Å	T = 293 K
c = 5.9406 (1) Å	0.10 × 0.02 × 0.01 mm

Data collection top

Bruker KAPPA APEX II diffractometer	1555 independent reflections
Absorption correction: multi-scan SADABS	1154 reflections with I > 3σ(I)
T_min = 0.85, T_max = 0.94	R_int = 0.042
20827 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.018	42 parameters
wR(F²) = 0.031	0 restraints
S = 1.53	Δρ_max = 1.21 e Å⁻³
1555 reflections	Δρ_min = −1.42 e Å⁻³

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
K1_2	0.36049 (4)	0	0.25	0.01692 (9)
Ag1_2	0	0.25	0.36560 (2)	0.01877 (5)
C1_2	0.25417 (14)	0.5	0.25	0.0135 (3)
O1_2	0.19300 (8)	0.36466 (14)	0.38794 (13)	0.0181 (2)
O2_2	0.37838 (12)	0.5	0.25	0.0207 (3)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
K1_2	0.01488 (15)	0.01589 (13)	0.01999 (17)	0	0	−0.00008 (10)
Ag1_2	0.01544 (8)	0.02460 (9)	0.01628 (8)	−0.00636 (3)	0	0
C1_2	0.0114 (5)	0.0126 (4)	0.0165 (5)	0	0	−0.0009 (4)
O1_2	0.0138 (3)	0.0209 (4)	0.0196 (4)	−0.0041 (3)	−0.0006 (2)	0.0046 (3)
O2_2	0.0096 (4)	0.0221 (5)	0.0303 (7)	0	0	0.0026 (4)

Geometric parameters (Å, º) top

K1_2—K1_2ⁱ	4.0523 (4)	K1_2—O1_2^xii	2.8551 (8)
K1_2—K1_2ⁱⁱ	4.0523 (4)	K1_2—O2_2^x	2.8923 (1)
K1_2—K1_2ⁱⁱⁱ	4.1124 (4)	K1_2—O2_2	2.8923 (1)
K1_2—K1_2^iv	4.1124 (4)	K1_2—O2_2ⁱⁱ	2.6618 (12)
K1_2—K1_2^v	4.1418 (1)	K1_2—O2_2^v	2.9759 (1)
K1_2—K1_2^vi	4.1418 (1)	K1_2—O2_2^vi	2.9759 (1)
K1_2—K1_2^vii	4.1418 (1)	Ag1_2—Ag1_2^ix	3.1967 (1)
K1_2—K1_2^viii	4.1418 (1)	Ag1_2—Ag1_2^xiii	3.1967 (1)
K1_2—Ag1_2	4.0072 (3)	Ag1_2—Ag1_2^xiv	3.2988 (1)
K1_2—Ag1_2^ix	4.0072 (3)	Ag1_2—Ag1_2^xv	3.2988 (1)
K1_2—C1_2^x	3.0833 (5)	Ag1_2—Ag1_2^xii	2.9703 (2)
K1_2—C1_2	3.0833 (5)	Ag1_2—Ag1_2^xvi	2.9703 (2)
K1_2—C1_2^v	3.1618 (5)	Ag1_2—O1_2	2.0799 (8)
K1_2—C1_2^vi	3.1618 (5)	Ag1_2—O1_2^xvii	2.0799 (8)
K1_2—O1_2	2.8316 (8)	C1_2—O1_2	1.2926 (11)
K1_2—O1_2^xi	2.8316 (8)	C1_2—O1_2^xviii	1.2926 (11)
K1_2—O1_2^vi	2.8551 (8)	C1_2—O2_2	1.2661 (19)

K1_2ⁱ—K1_2—K1_2ⁱⁱ	90.849 (9)	Ag1_2^ix—K1_2—O2_2^x	72.44 (2)
K1_2ⁱ—K1_2—K1_2ⁱⁱⁱ	60.962 (5)	Ag1_2^ix—K1_2—O2_2	114.66 (2)
K1_2ⁱ—K1_2—K1_2^iv	60.962 (5)	Ag1_2^ix—K1_2—O2_2ⁱⁱ	156.493 (2)
K1_2ⁱ—K1_2—K1_2^v	60.235 (5)	Ag1_2^ix—K1_2—O2_2^v	83.40 (2)
K1_2ⁱ—K1_2—K1_2^vi	60.235 (5)	Ag1_2^ix—K1_2—O2_2^vi	103.13 (2)
K1_2ⁱ—K1_2—K1_2^vii	119.765 (8)	C1_2^x—K1_2—C1_2	138.84 (4)
K1_2ⁱ—K1_2—K1_2^viii	119.765 (8)	C1_2^x—K1_2—C1_2^v	83.080 (12)
K1_2ⁱ—K1_2—Ag1_2	154.179 (6)	C1_2^x—K1_2—C1_2^vi	83.080 (12)
K1_2ⁱ—K1_2—Ag1_2^ix	112.770 (4)	C1_2^x—K1_2—O1_2	118.95 (3)
K1_2ⁱ—K1_2—C1_2^x	65.15 (3)	C1_2^x—K1_2—O1_2^xi	24.78 (2)
K1_2ⁱ—K1_2—C1_2	156.00 (3)	C1_2^x—K1_2—O1_2^vi	62.20 (2)
K1_2ⁱ—K1_2—C1_2^v	103.920 (17)	C1_2^x—K1_2—O1_2^xii	92.64 (2)
K1_2ⁱ—K1_2—C1_2^vi	103.920 (17)	C1_2^x—K1_2—O2_2^x	24.19 (3)
K1_2ⁱ—K1_2—O1_2	162.317 (16)	C1_2^x—K1_2—O2_2	163.04 (4)
K1_2ⁱ—K1_2—O1_2^xi	83.891 (17)	C1_2^x—K1_2—O2_2ⁱⁱ	110.58 (3)
K1_2ⁱ—K1_2—O1_2^vi	102.988 (17)	C1_2^x—K1_2—O2_2^v	91.234 (8)
K1_2ⁱ—K1_2—O1_2^xii	127.925 (16)	C1_2^x—K1_2—O2_2^vi	91.234 (8)
K1_2ⁱ—K1_2—O2_2^x	40.96 (2)	C1_2—K1_2—C1_2^v	83.080 (12)
K1_2ⁱ—K1_2—O2_2	131.81 (3)	C1_2—K1_2—C1_2^vi	83.080 (12)
K1_2ⁱ—K1_2—O2_2ⁱⁱ	45.424 (5)	C1_2—K1_2—O1_2	24.78 (2)
K1_2ⁱ—K1_2—O2_2^v	87.536 (17)	C1_2—K1_2—O1_2^xi	118.95 (3)
K1_2ⁱ—K1_2—O2_2^vi	87.536 (17)	C1_2—K1_2—O1_2^vi	92.64 (2)
K1_2ⁱⁱ—K1_2—K1_2ⁱⁱⁱ	60.962 (5)	C1_2—K1_2—O1_2^xii	62.20 (2)
K1_2ⁱⁱ—K1_2—K1_2^iv	60.962 (5)	C1_2—K1_2—O2_2^x	163.04 (4)
K1_2ⁱⁱ—K1_2—K1_2^v	119.765 (8)	C1_2—K1_2—O2_2	24.19 (3)
K1_2ⁱⁱ—K1_2—K1_2^vi	119.765 (8)	C1_2—K1_2—O2_2ⁱⁱ	110.58 (3)
K1_2ⁱⁱ—K1_2—K1_2^vii	60.235 (5)	C1_2—K1_2—O2_2^v	91.234 (8)
K1_2ⁱⁱ—K1_2—K1_2^viii	60.235 (5)	C1_2—K1_2—O2_2^vi	91.234 (8)
K1_2ⁱⁱ—K1_2—Ag1_2	112.770 (4)	C1_2^v—K1_2—C1_2^vi	139.91 (4)
K1_2ⁱⁱ—K1_2—Ag1_2^ix	154.179 (6)	C1_2^v—K1_2—O1_2	93.74 (2)
K1_2ⁱⁱ—K1_2—C1_2^x	156.00 (3)	C1_2^v—K1_2—O1_2^xi	61.41 (2)
K1_2ⁱⁱ—K1_2—C1_2	65.15 (3)	C1_2^v—K1_2—O1_2^vi	120.18 (3)
K1_2ⁱⁱ—K1_2—C1_2^v	103.920 (17)	C1_2^v—K1_2—O1_2^xii	24.12 (2)
K1_2ⁱⁱ—K1_2—C1_2^vi	103.920 (17)	C1_2^v—K1_2—O2_2^x	91.238 (8)
K1_2ⁱⁱ—K1_2—O1_2	83.891 (17)	C1_2^v—K1_2—O2_2	91.238 (8)
K1_2ⁱⁱ—K1_2—O1_2^xi	162.317 (16)	C1_2^v—K1_2—O2_2ⁱⁱ	110.05 (3)
K1_2ⁱⁱ—K1_2—O1_2^vi	127.925 (16)	C1_2^v—K1_2—O2_2^v	23.56 (3)
K1_2ⁱⁱ—K1_2—O1_2^xii	102.988 (17)	C1_2^v—K1_2—O2_2^vi	163.47 (4)
K1_2ⁱⁱ—K1_2—O2_2^x	131.81 (3)	C1_2^vi—K1_2—O1_2	61.41 (2)
K1_2ⁱⁱ—K1_2—O2_2	40.96 (2)	C1_2^vi—K1_2—O1_2^xi	93.74 (2)
K1_2ⁱⁱ—K1_2—O2_2ⁱⁱ	45.424 (5)	C1_2^vi—K1_2—O1_2^vi	24.12 (2)
K1_2ⁱⁱ—K1_2—O2_2^v	87.536 (17)	C1_2^vi—K1_2—O1_2^xii	120.18 (3)
K1_2ⁱⁱ—K1_2—O2_2^vi	87.536 (17)	C1_2^vi—K1_2—O2_2^x	91.238 (8)
K1_2ⁱⁱⁱ—K1_2—K1_2^iv	92.487 (9)	C1_2^vi—K1_2—O2_2	91.238 (8)
K1_2ⁱⁱⁱ—K1_2—K1_2^v	58.803 (5)	C1_2^vi—K1_2—O2_2ⁱⁱ	110.05 (3)
K1_2ⁱⁱⁱ—K1_2—K1_2^vi	121.197 (8)	C1_2^vi—K1_2—O2_2^v	163.47 (4)
K1_2ⁱⁱⁱ—K1_2—K1_2^vii	58.803 (5)	C1_2^vi—K1_2—O2_2^vi	23.56 (3)
K1_2ⁱⁱⁱ—K1_2—K1_2^viii	121.197 (8)	O1_2—K1_2—O1_2^xi	105.84 (3)
K1_2ⁱⁱⁱ—K1_2—Ag1_2	139.287 (5)	O1_2—K1_2—O1_2^vi	67.97 (2)
K1_2ⁱⁱⁱ—K1_2—Ag1_2^ix	120.692 (4)	O1_2—K1_2—O1_2^xii	69.76 (2)
K1_2ⁱⁱⁱ—K1_2—C1_2^x	104.069 (17)	O1_2—K1_2—O2_2^x	141.26 (3)
K1_2ⁱⁱⁱ—K1_2—C1_2	104.069 (17)	O1_2—K1_2—O2_2	45.25 (3)
K1_2ⁱⁱⁱ—K1_2—C1_2^v	63.80 (2)	O1_2—K1_2—O2_2ⁱⁱ	127.080 (18)
K1_2ⁱⁱⁱ—K1_2—C1_2^vi	156.29 (3)	O1_2—K1_2—O2_2^v	109.01 (2)
K1_2ⁱⁱⁱ—K1_2—O1_2	128.756 (16)	O1_2—K1_2—O2_2^vi	75.41 (2)
K1_2ⁱⁱⁱ—K1_2—O1_2^xi	102.003 (16)	O1_2^xi—K1_2—O1_2^vi	69.76 (2)
K1_2ⁱⁱⁱ—K1_2—O1_2^vi	163.273 (17)	O1_2^xi—K1_2—O1_2^xii	67.97 (2)
K1_2ⁱⁱⁱ—K1_2—O1_2^xii	82.497 (16)	O1_2^xi—K1_2—O2_2^x	45.25 (3)
K1_2ⁱⁱⁱ—K1_2—O2_2^x	87.501 (17)	O1_2^xi—K1_2—O2_2	141.26 (3)
K1_2ⁱⁱⁱ—K1_2—O2_2	87.501 (17)	O1_2^xi—K1_2—O2_2ⁱⁱ	127.080 (18)
K1_2ⁱⁱⁱ—K1_2—O2_2ⁱⁱ	46.243 (5)	O1_2^xi—K1_2—O2_2^v	75.41 (2)
K1_2ⁱⁱⁱ—K1_2—O2_2^v	40.24 (2)	O1_2^xi—K1_2—O2_2^vi	109.01 (2)
K1_2ⁱⁱⁱ—K1_2—O2_2^vi	132.73 (3)	O1_2^vi—K1_2—O1_2^xii	106.55 (3)
K1_2^iv—K1_2—K1_2^v	121.197 (8)	O1_2^vi—K1_2—O2_2^x	76.38 (2)
K1_2^iv—K1_2—K1_2^vi	58.803 (5)	O1_2^vi—K1_2—O2_2	108.11 (2)
K1_2^iv—K1_2—K1_2^vii	121.197 (8)	O1_2^vi—K1_2—O2_2ⁱⁱ	126.725 (17)
K1_2^iv—K1_2—K1_2^viii	58.803 (5)	O1_2^vi—K1_2—O2_2^v	142.05 (3)
K1_2^iv—K1_2—Ag1_2	120.692 (4)	O1_2^vi—K1_2—O2_2^vi	44.33 (3)
K1_2^iv—K1_2—Ag1_2^ix	139.287 (5)	O1_2^xii—K1_2—O2_2^x	108.11 (2)
K1_2^iv—K1_2—C1_2^x	104.069 (17)	O1_2^xii—K1_2—O2_2	76.38 (2)
K1_2^iv—K1_2—C1_2	104.069 (17)	O1_2^xii—K1_2—O2_2ⁱⁱ	126.725 (17)
K1_2^iv—K1_2—C1_2^v	156.29 (3)	O1_2^xii—K1_2—O2_2^v	44.33 (3)
K1_2^iv—K1_2—C1_2^vi	63.80 (2)	O1_2^xii—K1_2—O2_2^vi	142.05 (3)
K1_2^iv—K1_2—O1_2	102.003 (16)	O2_2^x—K1_2—O2_2	172.77 (4)
K1_2^iv—K1_2—O1_2^xi	128.756 (16)	O2_2^x—K1_2—O2_2ⁱⁱ	86.39 (2)
K1_2^iv—K1_2—O1_2^vi	82.497 (16)	O2_2^x—K1_2—O2_2^v	89.779 (2)
K1_2^iv—K1_2—O1_2^xii	163.273 (17)	O2_2^x—K1_2—O2_2^vi	89.779 (2)
K1_2^iv—K1_2—O2_2^x	87.501 (17)	O2_2—K1_2—O2_2ⁱⁱ	86.39 (2)
K1_2^iv—K1_2—O2_2	87.501 (17)	O2_2—K1_2—O2_2^v	89.779 (2)
K1_2^iv—K1_2—O2_2ⁱⁱ	46.243 (5)	O2_2—K1_2—O2_2^vi	89.779 (2)
K1_2^iv—K1_2—O2_2^v	132.73 (3)	O2_2ⁱⁱ—K1_2—O2_2^v	86.49 (2)
K1_2^iv—K1_2—O2_2^vi	40.24 (2)	O2_2ⁱⁱ—K1_2—O2_2^vi	86.49 (2)
K1_2^v—K1_2—K1_2^vi	91.6385 (14)	O2_2^v—K1_2—O2_2^vi	172.98 (3)
K1_2^v—K1_2—K1_2^vii	88.3615 (14)	K1_2—Ag1_2—K1_2^xvii	160.264 (4)
K1_2^v—K1_2—K1_2^viii	180.0 (5)	K1_2—Ag1_2—Ag1_2^ix	66.493 (2)
K1_2^v—K1_2—Ag1_2	111.957 (8)	K1_2—Ag1_2—Ag1_2^xiii	104.572 (2)
K1_2^v—K1_2—Ag1_2^ix	68.043 (6)	K1_2—Ag1_2—Ag1_2^xiv	76.5730 (14)
K1_2^v—K1_2—C1_2^x	49.273 (8)	K1_2—Ag1_2—Ag1_2^xv	113.461 (2)
K1_2^v—K1_2—C1_2	130.727 (9)	K1_2—Ag1_2—Ag1_2^xii	80.132 (2)
K1_2^v—K1_2—C1_2^v	47.647 (8)	K1_2—Ag1_2—Ag1_2^xvi	99.868 (2)
K1_2^v—K1_2—C1_2^vi	132.353 (9)	K1_2—Ag1_2—O1_2	42.11 (2)
K1_2^v—K1_2—O1_2	136.524 (19)	K1_2—Ag1_2—O1_2^xvii	139.79 (2)
K1_2^v—K1_2—O1_2^xi	43.476 (16)	K1_2^xvii—Ag1_2—Ag1_2^ix	104.572 (2)
K1_2^v—K1_2—O1_2^vi	110.459 (17)	K1_2^xvii—Ag1_2—Ag1_2^xiii	66.493 (2)
K1_2^v—K1_2—O1_2^xii	69.541 (17)	K1_2^xvii—Ag1_2—Ag1_2^xiv	113.461 (2)
K1_2^v—K1_2—O2_2^x	45.9299 (16)	K1_2^xvii—Ag1_2—Ag1_2^xv	76.5730 (14)
K1_2^v—K1_2—O2_2	134.0701 (19)	K1_2^xvii—Ag1_2—Ag1_2^xii	80.132 (2)
K1_2^v—K1_2—O2_2ⁱⁱ	90.000 (7)	K1_2^xvii—Ag1_2—Ag1_2^xvi	99.868 (2)
K1_2^v—K1_2—O2_2^v	44.2914 (16)	K1_2^xvii—Ag1_2—O1_2	139.79 (2)
K1_2^v—K1_2—O2_2^vi	135.7086 (19)	K1_2^xvii—Ag1_2—O1_2^xvii	42.11 (2)
K1_2^vi—K1_2—K1_2^vii	180.0 (5)	Ag1_2^ix—Ag1_2—Ag1_2^xiii	129.108 (5)
K1_2^vi—K1_2—K1_2^viii	88.3615 (14)	Ag1_2^ix—Ag1_2—Ag1_2^xiv	54.397 (3)
K1_2^vi—K1_2—Ag1_2	97.361 (7)	Ag1_2^ix—Ag1_2—Ag1_2^xv	176.495 (5)
K1_2^vi—K1_2—Ag1_2^ix	82.639 (6)	Ag1_2^ix—Ag1_2—Ag1_2^xii	64.554 (3)
K1_2^vi—K1_2—C1_2^x	49.273 (8)	Ag1_2^ix—Ag1_2—Ag1_2^xvi	115.446 (3)
K1_2^vi—K1_2—C1_2	130.727 (9)	Ag1_2^ix—Ag1_2—O1_2	108.35 (2)
K1_2^vi—K1_2—C1_2^v	132.353 (9)	Ag1_2^ix—Ag1_2—O1_2^xvii	74.93 (2)
K1_2^vi—K1_2—C1_2^vi	47.647 (8)	Ag1_2^xiii—Ag1_2—Ag1_2^xiv	176.495 (5)
K1_2^vi—K1_2—O1_2	108.096 (17)	Ag1_2^xiii—Ag1_2—Ag1_2^xv	54.397 (3)
K1_2^vi—K1_2—O1_2^xi	71.904 (16)	Ag1_2^xiii—Ag1_2—Ag1_2^xii	64.554 (3)
K1_2^vi—K1_2—O1_2^vi	43.031 (17)	Ag1_2^xiii—Ag1_2—Ag1_2^xvi	115.446 (3)
K1_2^vi—K1_2—O1_2^xii	136.969 (19)	Ag1_2^xiii—Ag1_2—O1_2	74.93 (2)
K1_2^vi—K1_2—O2_2^x	45.9299 (16)	Ag1_2^xiii—Ag1_2—O1_2^xvii	108.35 (2)
K1_2^vi—K1_2—O2_2	134.0701 (19)	Ag1_2^xiv—Ag1_2—Ag1_2^xv	122.097 (5)
K1_2^vi—K1_2—O2_2ⁱⁱ	90.000 (7)	Ag1_2^xiv—Ag1_2—Ag1_2^xii	118.951 (3)
K1_2^vi—K1_2—O2_2^v	135.7086 (19)	Ag1_2^xiv—Ag1_2—Ag1_2^xvi	61.049 (3)
K1_2^vi—K1_2—O2_2^vi	44.2914 (16)	Ag1_2^xiv—Ag1_2—O1_2	104.33 (2)
K1_2^vii—K1_2—K1_2^viii	91.6385 (14)	Ag1_2^xiv—Ag1_2—O1_2^xvii	71.98 (2)
K1_2^vii—K1_2—Ag1_2	82.639 (6)	Ag1_2^xv—Ag1_2—Ag1_2^xii	118.951 (3)
K1_2^vii—K1_2—Ag1_2^ix	97.361 (7)	Ag1_2^xv—Ag1_2—Ag1_2^xvi	61.049 (3)
K1_2^vii—K1_2—C1_2^x	130.727 (9)	Ag1_2^xv—Ag1_2—O1_2	71.98 (2)
K1_2^vii—K1_2—C1_2	49.273 (8)	Ag1_2^xv—Ag1_2—O1_2^xvii	104.33 (2)
K1_2^vii—K1_2—C1_2^v	47.647 (8)	Ag1_2^xii—Ag1_2—Ag1_2^xvi	180.0 (5)
K1_2^vii—K1_2—C1_2^vi	132.353 (9)	Ag1_2^xii—Ag1_2—O1_2	93.66 (2)
K1_2^vii—K1_2—O1_2	71.904 (16)	Ag1_2^xii—Ag1_2—O1_2^xvii	93.66 (2)
K1_2^vii—K1_2—O1_2^xi	108.096 (17)	Ag1_2^xvi—Ag1_2—O1_2	86.34 (2)
K1_2^vii—K1_2—O1_2^vi	136.969 (19)	Ag1_2^xvi—Ag1_2—O1_2^xvii	86.34 (2)
K1_2^vii—K1_2—O1_2^xii	43.031 (17)	O1_2—Ag1_2—O1_2^xvii	172.68 (3)
K1_2^vii—K1_2—O2_2^x	134.0701 (19)	K1_2—C1_2—K1_2^xix	138.84 (5)
K1_2^vii—K1_2—O2_2	45.9299 (16)	K1_2—C1_2—K1_2^vii	83.080 (16)
K1_2^vii—K1_2—O2_2ⁱⁱ	90.000 (7)	K1_2—C1_2—K1_2^viii	83.080 (16)
K1_2^vii—K1_2—O2_2^v	44.2914 (16)	K1_2—C1_2—O1_2	66.65 (4)
K1_2^vii—K1_2—O2_2^vi	135.7086 (19)	K1_2—C1_2—O1_2^xviii	137.35 (4)
K1_2^viii—K1_2—Ag1_2	68.043 (6)	K1_2—C1_2—O2_2	69.42 (3)
K1_2^viii—K1_2—Ag1_2^ix	111.957 (8)	K1_2^xix—C1_2—K1_2^vii	83.080 (16)
K1_2^viii—K1_2—C1_2^x	130.727 (9)	K1_2^xix—C1_2—K1_2^viii	83.080 (16)
K1_2^viii—K1_2—C1_2	49.273 (8)	K1_2^xix—C1_2—O1_2	137.35 (4)
K1_2^viii—K1_2—C1_2^v	132.353 (9)	K1_2^xix—C1_2—O1_2^xviii	66.65 (4)
K1_2^viii—K1_2—C1_2^vi	47.647 (8)	K1_2^xix—C1_2—O2_2	69.42 (3)
K1_2^viii—K1_2—O1_2	43.476 (16)	K1_2^vii—C1_2—K1_2^viii	139.91 (5)
K1_2^viii—K1_2—O1_2^xi	136.524 (19)	K1_2^vii—C1_2—O1_2	139.54 (4)
K1_2^viii—K1_2—O1_2^vi	69.541 (17)	K1_2^vii—C1_2—O1_2^xviii	64.52 (4)
K1_2^viii—K1_2—O1_2^xii	110.459 (17)	K1_2^vii—C1_2—O2_2	69.95 (3)
K1_2^viii—K1_2—O2_2^x	134.0701 (19)	K1_2^viii—C1_2—O1_2	64.52 (4)
K1_2^viii—K1_2—O2_2	45.9299 (16)	K1_2^viii—C1_2—O1_2^xviii	139.54 (4)
K1_2^viii—K1_2—O2_2ⁱⁱ	90.000 (7)	K1_2^viii—C1_2—O2_2	69.95 (3)
K1_2^viii—K1_2—O2_2^v	135.7086 (19)	O1_2—C1_2—O1_2^xviii	122.32 (12)
K1_2^viii—K1_2—O2_2^vi	44.2914 (16)	O1_2—C1_2—O2_2	118.84 (7)
Ag1_2—K1_2—Ag1_2^ix	47.015 (4)	O1_2^xviii—C1_2—O2_2	118.84 (7)
Ag1_2—K1_2—C1_2^x	90.85 (3)	K1_2—O1_2—K1_2^viii	93.49 (2)
Ag1_2—K1_2—C1_2	48.74 (2)	K1_2—O1_2—Ag1_2	108.37 (3)
Ag1_2—K1_2—C1_2^v	81.18 (2)	K1_2—O1_2—C1_2	88.57 (5)
Ag1_2—K1_2—C1_2^vi	61.62 (2)	K1_2^viii—O1_2—Ag1_2	134.49 (3)
Ag1_2—K1_2—O1_2	29.511 (17)	K1_2^viii—O1_2—C1_2	91.36 (6)
Ag1_2—K1_2—O1_2^xi	76.378 (18)	Ag1_2—O1_2—C1_2	127.46 (7)
Ag1_2—K1_2—O1_2^vi	54.628 (17)	K1_2—O2_2—K1_2^xix	172.77 (5)
Ag1_2—K1_2—O1_2^xii	58.814 (17)	K1_2—O2_2—K1_2ⁱⁱ	93.61 (2)
Ag1_2—K1_2—O2_2^x	114.66 (2)	K1_2—O2_2—K1_2^vii	89.779 (3)
Ag1_2—K1_2—O2_2	72.44 (2)	K1_2—O2_2—K1_2^viii	89.779 (3)
Ag1_2—K1_2—O2_2ⁱⁱ	156.493 (2)	K1_2—O2_2—C1_2	86.39 (2)
Ag1_2—K1_2—O2_2^v	103.13 (2)	K1_2^xix—O2_2—K1_2ⁱⁱ	93.61 (2)
Ag1_2—K1_2—O2_2^vi	83.40 (2)	K1_2^xix—O2_2—K1_2^vii	89.779 (3)
Ag1_2^ix—K1_2—C1_2^x	48.74 (2)	K1_2^xix—O2_2—K1_2^viii	89.779 (3)
Ag1_2^ix—K1_2—C1_2	90.85 (3)	K1_2^xix—O2_2—C1_2	86.39 (2)
Ag1_2^ix—K1_2—C1_2^v	61.62 (2)	K1_2ⁱⁱ—O2_2—K1_2^vii	93.51 (2)
Ag1_2^ix—K1_2—C1_2^vi	81.18 (2)	K1_2ⁱⁱ—O2_2—K1_2^viii	93.51 (2)
Ag1_2^ix—K1_2—O1_2	76.377 (18)	K1_2ⁱⁱ—O2_2—C1_2	180.0 (5)
Ag1_2^ix—K1_2—O1_2^xi	29.511 (17)	K1_2^vii—O2_2—K1_2^viii	172.98 (5)
Ag1_2^ix—K1_2—O1_2^vi	58.814 (17)	K1_2^vii—O2_2—C1_2	86.49 (2)
Ag1_2^ix—K1_2—O1_2^xii	54.628 (17)	K1_2^viii—O2_2—C1_2	86.49 (2)

Symmetry codes: (i) −x+1, −y−1/2, z; (ii) −x+1, −y+1/2, z; (iii) −x+1, −y, −z; (iv) −x+1, −y, −z+1; (v) x, y−1/2, −z; (vi) x, y−1/2, −z+1; (vii) x, y+1/2, −z; (viii) x, y+1/2, −z+1; (ix) −x, y−1/2, −z+1/2; (x) x, y−1, z; (xi) x, −y, −z+1/2; (xii) x, −y+1/2, z−1/2; (xiii) −x, y+1/2, −z+1/2; (xiv) −x, −y, −z+1; (xv) −x, −y+1, −z+1; (xvi) x, −y+1/2, z+1/2; (xvii) −x, −y+1/2, z; (xviii) x, −y+1, −z+1/2; (xix) x, y+1, z.

(kagco3_crystal2_mdo2) top

Crystal data top

CAgKO₃	F(000) = 768
M_r = 207	D_x = 3.931 Mg m⁻³
Orthorhombic, Ibca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -I 2b 2c	Cell parameters from 7323 reflections
a = 20.3866 (3) Å	θ = 4.0–39.9°
b = 5.7731 (1) Å	µ = 6.77 mm⁻¹
c = 5.9406 (1) Å	T = 293 K
V = 699.17 (2) Å³	Needle, translucent yellow
Z = 8	0.10 × 0.02 × 0.01 mm

Data collection top

Bruker KAPPA APEX II diffractometer	1555 independent reflections
Radiation source: X-ray tube	1154 reflections with I > 3σ(I)
Graphite monochromator	R_int = 0.042
ω and ϕ–scans	θ_max = 40.1°, θ_min = 2°
Absorption correction: multi-scan SADABS	h = −35→36
T_min = 0.85, T_max = 0.94	k = −10→10
20827 measured reflections	l = −10→10

Refinement top

Refinement on F	23 constraints
R[F² > 2σ(F²)] = 0.018	Weighting scheme based on measured s.u.'s w = 1/(σ²(F) + 0.0001F²)
wR(F²) = 0.031	(Δ/σ)_max = 0.019
S = 1.53	Δρ_max = 1.85 e Å⁻³
1555 reflections	Δρ_min = −2.55 e Å⁻³
42 parameters	Extinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)
0 restraints	Extinction coefficient: 450 (19)

Crystal data top

CAgKO₃	V = 699.17 (2) Å³
M_r = 207	Z = 8
Orthorhombic, Ibca	Mo Kα radiation
a = 20.3866 (3) Å	µ = 6.77 mm⁻¹
b = 5.7731 (1) Å	T = 293 K
c = 5.9406 (1) Å	0.10 × 0.02 × 0.01 mm

Data collection top

Bruker KAPPA APEX II diffractometer	1555 independent reflections
Absorption correction: multi-scan SADABS	1154 reflections with I > 3σ(I)
T_min = 0.85, T_max = 0.94	R_int = 0.042
20827 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.018	42 parameters
wR(F²) = 0.031	0 restraints
S = 1.53	Δρ_max = 1.85 e Å⁻³
1555 reflections	Δρ_min = −2.55 e Å⁻³

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
K1	0.1857 (4)	0	0.25	0.039 (4)
Ag1	0	0.25	0.36558 (10)	0.0190 (2)
C1	0.12709 (7)	0.5	0.25	0.0249 (7)
O1	0.09650 (4)	0.36466 (14)	0.38794 (13)	0.0319 (5)
O2	0.18919 (6)	0.5	0.25	0.0303 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
K1	0.022 (4)	0.049 (9)	0.046 (8)	0	0	0.0007 (11)
Ag1	0.0147 (3)	0.0253 (4)	0.0171 (3)	−0.0087 (5)	0	0
C1	0.045 (2)	0.0126 (4)	0.0165 (5)	0	0	−0.0009 (4)
O1	0.0553 (13)	0.0209 (4)	0.0196 (4)	−0.0083 (5)	−0.0011 (5)	0.0046 (3)
O2	0.0383 (17)	0.0221 (5)	0.0303 (7)	0	0	0.0026 (4)

Geometric parameters (Å, º) top

K1—K1ⁱ	3.963 (7)	K1—O1	2.900 (5)
K1—K1ⁱⁱ	3.963 (7)	K1—O1^x	2.900 (5)
K1—K1ⁱⁱⁱ	3.900 (7)	K1—O2^ix	2.8874 (2)
K1—K1^iv	3.900 (7)	K1—O2	2.8874 (2)
K1—K1^v	4.1418 (1)	K1—O2^iv	2.551 (7)
K1—K1^vi	4.1418 (1)	Ag1—Ag1^xi	2.9703 (8)
K1—K1^vii	4.1418 (1)	Ag1—Ag1^xii	2.9703 (8)
K1—K1^viii	4.1418 (1)	Ag1—O1	2.0799 (8)
K1—C1^ix	3.124 (3)	Ag1—O1^xiii	2.0799 (8)
K1—C1	3.124 (3)	C1—O1	1.2926 (11)
K1—C1^v	3.201 (3)	C1—O1^xiv	1.2926 (11)
K1—C1^vi	3.201 (3)	C1—O2	1.2661 (19)

K1ⁱ—K1—K1ⁱⁱ	97.11 (19)	K1^vii—K1—O1	72.34 (8)
K1ⁱ—K1—K1ⁱⁱⁱ	63.57 (11)	K1^vii—K1—O1^x	107.66 (12)
K1ⁱ—K1—K1^iv	63.57 (11)	K1^vii—K1—O2^ix	134.164 (8)
K1ⁱ—K1—K1^v	57.48 (10)	K1^vii—K1—O2	45.836 (4)
K1ⁱ—K1—K1^vi	122.52 (15)	K1^vii—K1—O2^iv	90.00 (14)
K1ⁱ—K1—K1^vii	57.48 (10)	K1^viii—K1—C1^ix	130.09 (11)
K1ⁱ—K1—K1^viii	122.52 (15)	K1^viii—K1—C1	49.91 (5)
K1ⁱ—K1—C1^ix	104.66 (6)	K1^viii—K1—C1^v	131.71 (11)
K1ⁱ—K1—C1	104.66 (6)	K1^viii—K1—C1^vi	48.29 (5)
K1ⁱ—K1—C1^v	63.35 (9)	K1^viii—K1—O1	44.87 (9)
K1ⁱ—K1—C1^vi	160.5 (2)	K1^viii—K1—O1^x	135.1 (2)
K1ⁱ—K1—O1	128.81 (4)	K1^viii—K1—O2^ix	134.164 (8)
K1ⁱ—K1—O1^x	101.72 (6)	K1^viii—K1—O2	45.836 (4)
K1ⁱ—K1—O2^ix	89.06 (10)	K1^viii—K1—O2^iv	90.00 (14)
K1ⁱ—K1—O2	89.06 (10)	C1^ix—K1—C1	135.0 (2)
K1ⁱ—K1—O2^iv	48.55 (11)	C1^ix—K1—C1^v	81.80 (9)
K1ⁱⁱ—K1—K1ⁱⁱⁱ	63.57 (11)	C1^ix—K1—C1^vi	81.80 (9)
K1ⁱⁱ—K1—K1^iv	63.57 (11)	C1^ix—K1—O1	115.5 (2)
K1ⁱⁱ—K1—K1^v	122.52 (15)	C1^ix—K1—O1^x	24.42 (3)
K1ⁱⁱ—K1—K1^vi	57.48 (10)	C1^ix—K1—O2^ix	23.90 (4)
K1ⁱⁱ—K1—K1^vii	122.52 (15)	C1^ix—K1—O2	158.9 (3)
K1ⁱⁱ—K1—K1^viii	57.48 (10)	C1^ix—K1—O2^iv	112.48 (13)
K1ⁱⁱ—K1—C1^ix	104.66 (6)	C1—K1—C1^v	81.80 (9)
K1ⁱⁱ—K1—C1	104.66 (6)	C1—K1—C1^vi	81.80 (9)
K1ⁱⁱ—K1—C1^v	160.5 (2)	C1—K1—O1	24.42 (3)
K1ⁱⁱ—K1—C1^vi	63.35 (9)	C1—K1—O1^x	115.5 (2)
K1ⁱⁱ—K1—O1	101.72 (6)	C1—K1—O2^ix	158.9 (3)
K1ⁱⁱ—K1—O1^x	128.81 (4)	C1—K1—O2	23.90 (4)
K1ⁱⁱ—K1—O2^ix	89.06 (10)	C1—K1—O2^iv	112.48 (13)
K1ⁱⁱ—K1—O2	89.06 (10)	C1^v—K1—C1^vi	136.2 (2)
K1ⁱⁱ—K1—O2^iv	48.55 (11)	C1^v—K1—O1	91.62 (14)
K1ⁱⁱⁱ—K1—K1^iv	95.48 (19)	C1^v—K1—O1^x	60.26 (8)
K1ⁱⁱⁱ—K1—K1^v	58.95 (10)	C1^v—K1—O2^ix	90.53 (5)
K1ⁱⁱⁱ—K1—K1^vi	58.95 (10)	C1^v—K1—O2	90.53 (5)
K1ⁱⁱⁱ—K1—K1^vii	121.05 (15)	C1^v—K1—O2^iv	111.90 (12)
K1ⁱⁱⁱ—K1—K1^viii	121.05 (15)	C1^vi—K1—O1	60.26 (8)
K1ⁱⁱⁱ—K1—C1^ix	64.74 (9)	C1^vi—K1—O1^x	91.62 (14)
K1ⁱⁱⁱ—K1—C1	160.2 (2)	C1^vi—K1—O2^ix	90.53 (5)
K1ⁱⁱⁱ—K1—C1^v	104.53 (6)	C1^vi—K1—O2	90.53 (5)
K1ⁱⁱⁱ—K1—C1^vi	104.53 (6)	C1^vi—K1—O2^iv	111.90 (12)
K1ⁱⁱⁱ—K1—O1	163.52 (5)	O1—K1—O1^x	102.4 (2)
K1ⁱⁱⁱ—K1—O1^x	83.36 (8)	O1—K1—O2^ix	137.8 (2)
K1ⁱⁱⁱ—K1—O2^ix	40.84 (10)	O1—K1—O2	44.75 (4)
K1ⁱⁱⁱ—K1—O2	136.3 (2)	O1—K1—O2^iv	128.82 (11)
K1ⁱⁱⁱ—K1—O2^iv	47.74 (11)	O1^x—K1—O2^ix	44.75 (4)
K1^iv—K1—K1^v	121.05 (15)	O1^x—K1—O2	137.8 (2)
K1^iv—K1—K1^vi	121.05 (15)	O1^x—K1—O2^iv	128.82 (11)
K1^iv—K1—K1^vii	58.95 (10)	O2^ix—K1—O2	177.2 (3)
K1^iv—K1—K1^viii	58.95 (10)	O2^ix—K1—O2^iv	88.58 (15)
K1^iv—K1—C1^ix	160.2 (2)	O2—K1—O2^iv	88.58 (15)
K1^iv—K1—C1	64.74 (9)	Ag1^xi—Ag1—Ag1^xii	180.0 (5)
K1^iv—K1—C1^v	104.53 (6)	Ag1^xi—Ag1—O1	93.66 (3)
K1^iv—K1—C1^vi	104.53 (6)	Ag1^xi—Ag1—O1^xiii	93.66 (3)
K1^iv—K1—O1	83.36 (8)	Ag1^xii—Ag1—O1	86.34 (3)
K1^iv—K1—O1^x	163.52 (5)	Ag1^xii—Ag1—O1^xiii	86.34 (3)
K1^iv—K1—O2^ix	136.3 (2)	O1—Ag1—O1^xiii	172.68 (4)
K1^iv—K1—O2	40.84 (10)	K1—C1—K1^xv	135.05 (18)
K1^iv—K1—O2^iv	47.74 (11)	K1—C1—K1^vii	81.80 (6)
K1^v—K1—K1^vi	91.6385 (14)	K1—C1—K1^viii	81.80 (6)
K1^v—K1—K1^vii	88.3615 (14)	K1—C1—O1	68.03 (10)
K1^v—K1—K1^viii	180.0 (5)	K1—C1—O1^xiv	137.99 (5)
K1^v—K1—C1^ix	49.91 (5)	K1—C1—O2	67.52 (13)
K1^v—K1—C1	130.09 (11)	K1^xv—C1—K1^vii	81.80 (6)
K1^v—K1—C1^v	48.29 (5)	K1^xv—C1—K1^viii	81.80 (6)
K1^v—K1—C1^vi	131.71 (11)	K1^xv—C1—O1	137.99 (5)
K1^v—K1—O1	135.1 (2)	K1^xv—C1—O1^xiv	68.03 (10)
K1^v—K1—O1^x	44.87 (9)	K1^xv—C1—O2	67.52 (13)
K1^v—K1—O2^ix	45.836 (4)	K1^vii—C1—K1^viii	136.19 (18)
K1^v—K1—O2	134.164 (8)	K1^vii—C1—O1	140.19 (5)
K1^v—K1—O2^iv	90.00 (14)	K1^vii—C1—O1^xiv	65.91 (10)
K1^vi—K1—K1^vii	180.0 (5)	K1^vii—C1—O2	68.10 (12)
K1^vi—K1—K1^viii	88.3615 (14)	K1^viii—C1—O1	65.91 (10)
K1^vi—K1—C1^ix	49.91 (5)	K1^viii—C1—O1^xiv	140.19 (5)
K1^vi—K1—C1	130.09 (11)	K1^viii—C1—O2	68.10 (12)
K1^vi—K1—C1^v	131.71 (11)	O1—C1—O1^xiv	122.32 (12)
K1^vi—K1—C1^vi	48.29 (5)	O1—C1—O2	118.84 (7)
K1^vi—K1—O1	107.66 (12)	O1^xiv—C1—O2	118.84 (7)
K1^vi—K1—O1^x	72.34 (8)	K1—O1—Ag1	110.11 (12)
K1^vi—K1—O2^ix	45.836 (4)	K1—O1—C1	87.55 (8)
K1^vi—K1—O2	134.164 (8)	Ag1—O1—C1	127.46 (7)
K1^vi—K1—O2^iv	90.00 (14)	K1—O2—K1^xv	177.2 (2)
K1^vii—K1—K1^viii	91.6385 (14)	K1—O2—K1^iv	91.42 (15)
K1^vii—K1—C1^ix	130.09 (11)	K1—O2—C1	88.58 (15)
K1^vii—K1—C1	49.91 (5)	K1^xv—O2—K1^iv	91.42 (15)
K1^vii—K1—C1^v	48.29 (5)	K1^xv—O2—C1	88.58 (15)
K1^vii—K1—C1^vi	131.71 (11)	K1^iv—O2—C1	180.0 (5)

Symmetry codes: (i) −x+1/2, −y, z−1/2; (ii) −x+1/2, −y, z+1/2; (iii) −x+1/2, −y−1/2, −z+1/2; (iv) −x+1/2, −y+1/2, −z+1/2; (v) x, y−1/2, −z; (vi) x, y−1/2, −z+1; (vii) x, y+1/2, −z; (viii) x, y+1/2, −z+1; (ix) x, y−1, z; (x) x, −y, −z+1/2; (xi) x, −y+1/2, z−1/2; (xii) x, −y+1/2, z+1/2; (xiii) −x, −y+1/2, z; (xiv) x, −y+1, −z+1/2; (xv) x, y+1, z.

Experimental details

	(kagco3_crystal1_mdo2)	(kagco3_crystal1_mdo1)	(kagco3_crystal2_mdo1)	(kagco3_crystal2_mdo2)
Crystal data
Chemical formula	CAgKO₃	CAgKO₃	CAgKO₃	CAgKO₃
M_r	207	207	207	207
Crystal system, space group	Orthorhombic, Ibca	Orthorhombic, Pccb	Orthorhombic, Pccb	Orthorhombic, Ibca
Temperature (K)	293	293	293	293
a, b, c (Å)	20.3892 (4), 5.7721 (1), 5.9409 (1)	10.1946 (2), 5.7721 (1), 5.9409 (1)	10.1933 (1), 5.7731 (1), 5.9406 (1)	20.3866 (3), 5.7731 (1), 5.9406 (1)
V (Å³)	699.18 (2)	349.59 (1)	349.59 (1)	699.17 (2)
Z	8	4	4	8
Radiation type	Mo Kα	Mo Kα	Mo Kα	Mo Kα
µ (mm⁻¹)	6.77	6.77	6.77	6.77
Crystal size (mm)	0.12 × 0.08 × 0.01	0.12 × 0.08 × 0.01	0.10 × 0.02 × 0.01	0.10 × 0.02 × 0.01

Data collection
Diffractometer	Bruker KAPPA APEX II diffractometer	Bruker KAPPA APEX II diffractometer	Bruker KAPPA APEX II diffractometer	Bruker KAPPA APEX II diffractometer
Absorption correction	Multi-scan SADABS	Multi-scan SADABS	Multi-scan SADABS	Multi-scan SADABS
T_min, T_max	0.53, 0.94	0.53, 0.94	0.85, 0.94	0.85, 0.94
No. of measured, independent and observed [I > 3σ(I)] reflections	19643, 1961, 1371	19643, 1961, 1371	20827, 1555, 1154	20827, 1555, 1154
R_int	0.028	0.028	0.042	0.042
(sin θ/λ)_max (Å⁻¹)	0.986	0.986	0.905	0.905

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.020, 0.030, 1.57	0.020, 0.030, 1.57	0.018, 0.031, 1.53	0.018, 0.031, 1.53
No. of reflections	1961	1961	1555	1555
No. of parameters	42	42	42	42
Δρ_max, Δρ_min (e Å⁻³)	0.52, −1.50	4.95, −7.25	1.21, −1.42	1.85, −2.55

Computer programs: APEX2 (Bruker, 2012), SAINT-Plus (Bruker, 2012), by isomorphous structure method, JANA 2006 (Petříček et al., 2014), ATOMS (Dowty, 2006).

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