(IUCr) Crystallography Journals Online

Abstract top

BaCo₂Sn₄O₁₁ is isotypic with R-ferrite, BaTi₂Fe₄O₁₁. The Co atoms fully occupy trigonal-bipyramidal sites ( $\overline 6 m2$ ) and are disordered with Sn atoms in octahedral sites (.2/m symmetry), as represented in the formula BaCoSn₂(Co_0.34Sn_0.66)₄O₁₁. Ba atoms are situated in a 12-fold coordinated site ( $\=6m2$ symmetry).

barium cobalt stannate top

Crystal data top

BaCo₂Sn₄O₁₁	D_x = 6.646 Mg m⁻³
M_r = 905.96	Mo Kα radiation, λ = 0.71075 Å
Hexagonal, P6₃/mmc	Cell parameters from 3536 reflections
Hall symbol: -P 6c 2c	θ = 7.7–54.7°
a = 6.0880 (2) Å	µ = 18.76 mm⁻¹
c = 14.1049 (6) Å	T = 293 K
V = 452.74 (3) Å³	Block, green
Z = 2	0.06 × 0.04 × 0.03 mm
F(000) = 796

Data collection top

Rigaku R-AXIS RAPID diffractometer	230 independent reflections
Radiation source: fine-focus sealed tube	215 reflections with I > 2σ(I)
graphite	R_int = 0.072
Detector resolution: 10.00 pixels mm^-1	θ_max = 27.4°, θ_min = 3.9°
ω scans	h = −7→7
Absorption correction: numerical (NUMABS; Higashi, 1999)	k = −7→7
T_min = 0.524, T_max = 0.801	l = −18→18
3945 measured reflections

Refinement top

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)] = 0.018	w = 1/[σ²(F_o²) + 0.8941P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.041	(Δ/σ)_max < 0.001
S = 1.13	Δρ_max = 0.73 e Å⁻³
230 reflections	Δρ_min = −1.81 e Å⁻³
28 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.0041 (4)

Crystal data top

BaCo₂Sn₄O₁₁	Z = 2
M_r = 905.96	Mo Kα radiation
Hexagonal, P6₃/mmc	µ = 18.76 mm⁻¹
a = 6.0880 (2) Å	T = 293 K
c = 14.1049 (6) Å	0.06 × 0.04 × 0.03 mm
V = 452.74 (3) Å³

Data collection top

Rigaku R-AXIS RAPID diffractometer	230 independent reflections
Absorption correction: numerical (NUMABS; Higashi, 1999)	215 reflections with I > 2σ(I)
T_min = 0.524, T_max = 0.801	R_int = 0.072
3945 measured reflections	θ_max = 27.4°

Refinement top

R[F² > 2σ(F²)] = 0.018	Δρ_max = 0.73 e Å⁻³
wR(F²) = 0.041	Δρ_min = −1.81 e Å⁻³
S = 1.13	Absolute structure: ?
230 reflections	Flack parameter: ?
28 parameters	Rogers parameter: ?
1 restraint

Special details top

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.

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.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Ba1	0.3333	0.6667	0.2500	0.0147 (2)
Sn1	0.5000	0.0000	0.0000	0.0112 (3)	0.664 (7)
Co1	0.5000	0.0000	0.0000	0.0112 (3)	0.336 (7)
Sn2	0.0000	0.0000	0.14643 (4)	0.0096 (2)
Co2	0.6667	0.3333	0.2500	0.0203 (4)
O1	0.1728 (3)	0.3456 (5)	0.0815 (2)	0.0118 (7)
O2	0.2933 (8)	0.1466 (4)	0.2500	0.0129 (10)
O3	0.6667	0.3333	0.0772 (4)	0.0136 (12)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ba1	0.0169 (3)	0.0169 (3)	0.0103 (4)	0.00844 (15)	0.000	0.000
Sn1	0.0139 (4)	0.0110 (4)	0.0076 (4)	0.0055 (2)	0.00013 (10)	0.0003 (2)
Co1	0.0139 (4)	0.0110 (4)	0.0076 (4)	0.0055 (2)	0.00013 (10)	0.0003 (2)
Sn2	0.0113 (3)	0.0113 (3)	0.0062 (3)	0.00563 (14)	0.000	0.000
Co2	0.0086 (5)	0.0086 (5)	0.0436 (13)	0.0043 (3)	0.000	0.000
O1	0.0139 (12)	0.0132 (17)	0.0080 (17)	0.0066 (8)	0.0015 (6)	0.0030 (13)
O2	0.010 (2)	0.0174 (18)	0.009 (2)	0.0051 (11)	0.000	0.000
O3	0.0159 (18)	0.0159 (18)	0.009 (3)	0.0080 (9)	0.000	0.000

Geometric parameters (Å, °) top

Ba1—O1ⁱ	2.918 (3)	Sn2—O2^xii	2.127 (3)
Ba1—O1ⁱⁱ	2.918 (3)	Sn2—Sn2^v	2.9217 (11)
Ba1—O1ⁱⁱⁱ	2.918 (3)	Sn2—O3^xvi	3.6479 (15)
Ba1—O1	2.918 (3)	Sn2—O3^xvii	3.6479 (15)
Ba1—O1^iv	2.918 (3)	Sn2—O3	3.6479 (15)
Ba1—O1^v	2.918 (3)	Sn2—Ba1^xviii	3.8064 (2)
Ba1—O2ⁱⁱ	3.051 (6)	Sn2—Co2^xvi	3.8064 (2)
Ba1—O2^vi	3.051 (6)	Co2—O2^x	1.969 (4)
Ba1—O2^vii	3.051 (6)	Co2—O2^viii	1.969 (4)
Ba1—O2^iv	3.051 (6)	Co2—O2	1.969 (4)
Ba1—O2	3.051 (6)	Co2—O3	2.437 (6)
Ba1—O2^viii	3.051 (6)	Co2—O3^v	2.437 (6)
Sn1—O3	2.068 (3)	Co2—Ba1^xix	3.51492 (11)
Sn1—O3^ix	2.068 (3)	O1—Co1^viii	2.074 (2)
Sn1—O1^x	2.074 (2)	O1—Sn1^viii	2.074 (2)
Sn1—O1^xi	2.074 (2)	O1—Co1^vi	2.074 (2)
Sn1—O1^xii	2.074 (2)	O1—Sn1^vi	2.074 (2)
Sn1—O1^xiii	2.074 (2)	O1—O3^xx	2.806 (5)
Sn1—Sn1^x	3.04401 (10)	O1—O3	3.045 (2)
Sn1—Sn1^xiv	3.04401 (10)	O1—O3^xvi	3.045 (2)
Sn1—Co1^x	3.04401 (10)	O1—Co2^xvi	3.8627 (19)
Sn1—Co1^xiv	3.04401 (10)	O2—Sn2^v	2.127 (3)
Sn1—Sn1^xv	3.04401 (10)	O2—Ba1^xviii	3.052 (3)
Sn1—Co1^xv	3.04401 (10)	O2—O3^v	3.133 (5)
Sn2—O1^vi	2.040 (3)	O2—O3	3.133 (5)
Sn2—O1	2.040 (3)	O3—Co1^x	2.068 (3)
Sn2—O1^xii	2.040 (3)	O3—Sn1^x	2.068 (3)
Sn2—O2	2.127 (3)	O3—Co1^viii	2.068 (3)
Sn2—O2^vi	2.127 (3)	O3—Sn1^viii	2.068 (3)

O1ⁱ—Ba1—O1ⁱⁱ	109.09 (11)	O2—Sn2—Sn2^v	46.63 (8)
O1ⁱ—Ba1—O1ⁱⁱⁱ	60.31 (9)	O2^vi—Sn2—Sn2^v	46.63 (8)
O1ⁱⁱ—Ba1—O1ⁱⁱⁱ	146.28 (5)	O2^xii—Sn2—Sn2^v	46.63 (8)
O1ⁱ—Ba1—O1	146.28 (5)	O1^vi—Sn2—O3^xvi	56.59 (3)
O1ⁱⁱ—Ba1—O1	60.31 (9)	O1—Sn2—O3^xvi	56.59 (3)
O1ⁱⁱⁱ—Ba1—O1	146.28 (5)	O1^xii—Sn2—O3^xvi	137.79 (12)
O1ⁱ—Ba1—O1^iv	146.28 (5)	O2—Sn2—O3^xvi	122.27 (6)
O1ⁱⁱ—Ba1—O1^iv	60.31 (9)	O2^vi—Sn2—O3^xvi	58.89 (11)
O1ⁱⁱⁱ—Ba1—O1^iv	109.09 (12)	O2^xii—Sn2—O3^xvi	122.27 (6)
O1—Ba1—O1^iv	60.31 (9)	Sn2^v—Sn2—O3^xvi	105.52 (8)
O1ⁱ—Ba1—O1^v	60.31 (9)	O1^vi—Sn2—O3^xvii	56.59 (3)
O1ⁱⁱ—Ba1—O1^v	146.28 (5)	O1—Sn2—O3^xvii	137.79 (12)
O1ⁱⁱⁱ—Ba1—O1^v	60.31 (9)	O1^xii—Sn2—O3^xvii	56.59 (3)
O1—Ba1—O1^v	109.09 (11)	O2—Sn2—O3^xvii	122.27 (6)
O1^iv—Ba1—O1^v	146.28 (5)	O2^vi—Sn2—O3^xvii	122.27 (6)
O1ⁱ—Ba1—O2ⁱⁱ	58.59 (5)	O2^xii—Sn2—O3^xvii	58.89 (11)
O1ⁱⁱ—Ba1—O2ⁱⁱ	58.59 (5)	Sn2^v—Sn2—O3^xvii	105.52 (8)
O1ⁱⁱⁱ—Ba1—O2ⁱⁱ	118.76 (5)	O3^xvi—Sn2—O3^xvii	113.12 (7)
O1—Ba1—O2ⁱⁱ	92.30 (4)	O1^vi—Sn2—O3	137.79 (12)
O1^iv—Ba1—O2ⁱⁱ	118.76 (5)	O1—Sn2—O3	56.59 (3)
O1^v—Ba1—O2ⁱⁱ	92.30 (5)	O1^xii—Sn2—O3	56.59 (3)
O1ⁱ—Ba1—O2^vi	92.30 (4)	O2—Sn2—O3	58.89 (11)
O1ⁱⁱ—Ba1—O2^vi	92.30 (4)	O2^vi—Sn2—O3	122.27 (6)
O1ⁱⁱⁱ—Ba1—O2^vi	118.76 (5)	O2^xii—Sn2—O3	122.27 (6)
O1—Ba1—O2^vi	58.59 (5)	Sn2^v—Sn2—O3	105.52 (8)
O1^iv—Ba1—O2^vi	118.76 (5)	O3^xvi—Sn2—O3	113.12 (7)
O1^v—Ba1—O2^vi	58.59 (5)	O3^xvii—Sn2—O3	113.12 (7)
O2ⁱⁱ—Ba1—O2^vi	67.94 (15)	O1^vi—Sn2—Ba1^xviii	125.796 (15)
O1ⁱ—Ba1—O2^vii	58.59 (5)	O1—Sn2—Ba1^xviii	125.796 (15)
O1ⁱⁱ—Ba1—O2^vii	58.59 (5)	O1^xii—Sn2—Ba1^xviii	49.26 (9)
O1ⁱⁱⁱ—Ba1—O2^vii	92.30 (4)	O2—Sn2—Ba1^xviii	53.189 (6)
O1—Ba1—O2^vii	118.76 (5)	O2^vi—Sn2—Ba1^xviii	114.06 (8)
O1^iv—Ba1—O2^vii	92.30 (4)	O2^xii—Sn2—Ba1^xviii	53.189 (6)
O1^v—Ba1—O2^vii	118.76 (5)	Sn2^v—Sn2—Ba1^xviii	67.432 (8)
O2ⁱⁱ—Ba1—O2^vii	52.06 (15)	O3^xvi—Sn2—Ba1^xviii	172.95 (8)
O2^vi—Ba1—O2^vii	120.000 (1)	O3^xvii—Sn2—Ba1^xviii	69.99 (4)
O1ⁱ—Ba1—O2^iv	92.30 (4)	O3—Sn2—Ba1^xviii	69.99 (4)
O1ⁱⁱ—Ba1—O2^iv	92.30 (4)	O1^vi—Sn2—Co2^xvi	76.11 (5)
O1ⁱⁱⁱ—Ba1—O2^iv	58.59 (5)	O1—Sn2—Co2^xvi	76.11 (5)
O1—Ba1—O2^iv	118.76 (5)	O1^xii—Sn2—Co2^xvi	175.88 (9)
O1^iv—Ba1—O2^iv	58.59 (5)	O2—Sn2—Co2^xvi	94.13 (5)
O1^v—Ba1—O2^iv	118.76 (5)	O2^vi—Sn2—Co2^xvi	20.80 (8)
O2ⁱⁱ—Ba1—O2^iv	120.0	O2^xii—Sn2—Co2^xvi	94.13 (5)
O2^vi—Ba1—O2^iv	172.06 (15)	Sn2^v—Sn2—Co2^xvi	67.432 (8)
O2^vii—Ba1—O2^iv	67.94 (15)	O3^xvi—Sn2—Co2^xvi	38.09 (8)
O1ⁱ—Ba1—O2	118.76 (5)	O3^xvii—Sn2—Co2^xvi	123.20 (2)
O1ⁱⁱ—Ba1—O2	118.76 (5)	O3—Sn2—Co2^xvi	123.20 (2)
O1ⁱⁱⁱ—Ba1—O2	92.30 (4)	Ba1^xviii—Sn2—Co2^xvi	134.863 (15)
O1—Ba1—O2	58.59 (5)	O2^x—Co2—O2^viii	120.000 (1)
O1^iv—Ba1—O2	92.30 (4)	O2^x—Co2—O2	120.0
O1^v—Ba1—O2	58.59 (5)	O2^viii—Co2—O2	120.0
O2ⁱⁱ—Ba1—O2	120.0	O2^x—Co2—O3	90.0
O2^vi—Ba1—O2	52.06 (15)	O2^viii—Co2—O3	90.000 (1)
O2^vii—Ba1—O2	172.06 (15)	O2—Co2—O3	90.0
O2^iv—Ba1—O2	120.0	O2^x—Co2—O3^v	90.0
O1ⁱ—Ba1—O2^viii	118.76 (5)	O2^viii—Co2—O3^v	90.0
O1ⁱⁱ—Ba1—O2^viii	118.76 (5)	O2—Co2—O3^v	90.0
O1ⁱⁱⁱ—Ba1—O2^viii	58.59 (5)	O3—Co2—O3^v	180.0
O1—Ba1—O2^viii	92.30 (4)	O2^x—Co2—Ba1^xix	60.0
O1^iv—Ba1—O2^viii	58.59 (5)	O2^viii—Co2—Ba1^xix	60.0
O1^v—Ba1—O2^viii	92.30 (4)	O2—Co2—Ba1^xix	180.0
O2ⁱⁱ—Ba1—O2^viii	172.06 (15)	O3—Co2—Ba1^xix	90.0
O2^vi—Ba1—O2^viii	120.0	O3^v—Co2—Ba1^xix	90.0
O2^vii—Ba1—O2^viii	120.0	Sn2—O1—Co1^viii	126.84 (8)
O2^iv—Ba1—O2^viii	52.06 (15)	Sn2—O1—Sn1^viii	126.84 (8)
O2—Ba1—O2^viii	67.94 (15)	Co1^viii—O1—Sn1^viii	0.0
O3—Sn1—O3^ix	180.0 (3)	Sn2—O1—Co1^vi	126.84 (8)
O3—Sn1—O1^x	94.67 (11)	Co1^viii—O1—Co1^vi	94.45 (12)
O3^ix—Sn1—O1^x	85.33 (11)	Sn1^viii—O1—Co1^vi	94.45 (12)
O3—Sn1—O1^xi	85.33 (11)	Sn2—O1—Sn1^vi	126.84 (8)
O3^ix—Sn1—O1^xi	94.67 (11)	Co1^viii—O1—Sn1^vi	94.45 (12)
O1^x—Sn1—O1^xi	180.00 (14)	Sn1^viii—O1—Sn1^vi	94.45 (12)
O3—Sn1—O1^xii	94.67 (11)	Co1^vi—O1—Sn1^vi	0.0
O3^ix—Sn1—O1^xii	85.33 (11)	Sn2—O1—O3^xx	153.78 (16)
O1^x—Sn1—O1^xii	89.97 (16)	Co1^viii—O1—O3^xx	47.25 (6)
O1^xi—Sn1—O1^xii	90.03 (16)	Sn1^viii—O1—O3^xx	47.25 (6)
O3—Sn1—O1^xiii	85.33 (11)	Co1^vi—O1—O3^xx	47.25 (6)
O3^ix—Sn1—O1^xiii	94.67 (11)	Sn1^vi—O1—O3^xx	47.25 (6)
O1^x—Sn1—O1^xiii	90.03 (16)	Sn2—O1—Ba1	98.77 (12)
O1^xi—Sn1—O1^xiii	89.97 (16)	Co1^viii—O1—Ba1	102.93 (9)
O1^xii—Sn1—O1^xiii	180.00 (14)	Sn1^viii—O1—Ba1	102.93 (9)
O3—Sn1—Sn1^x	42.60 (9)	Co1^vi—O1—Ba1	102.93 (9)
O3^ix—Sn1—Sn1^x	137.40 (9)	Sn1^vi—O1—Ba1	102.93 (9)
O1^x—Sn1—Sn1^x	91.55 (7)	O3^xx—O1—Ba1	107.45 (11)
O1^xi—Sn1—Sn1^x	88.45 (7)	Sn2—O1—O3	89.42 (7)
O1^xii—Sn1—Sn1^x	137.22 (6)	Co1^viii—O1—O3	42.59 (8)
O1^xiii—Sn1—Sn1^x	42.78 (6)	Sn1^viii—O1—O3	42.59 (8)
O3—Sn1—Sn1^xiv	137.40 (9)	Co1^vi—O1—O3	136.98 (15)
O3^ix—Sn1—Sn1^xiv	42.60 (9)	Sn1^vi—O1—O3	136.98 (15)
O1^x—Sn1—Sn1^xiv	88.45 (7)	O3^xx—O1—O3	89.84 (10)
O1^xi—Sn1—Sn1^xiv	91.55 (7)	Ba1—O1—O3	91.63 (10)
O1^xii—Sn1—Sn1^xiv	42.78 (6)	Sn2—O1—O3^xvi	89.42 (7)
O1^xiii—Sn1—Sn1^xiv	137.22 (6)	Co1^viii—O1—O3^xvi	136.98 (15)
Sn1^x—Sn1—Sn1^xiv	180.0	Sn1^viii—O1—O3^xvi	136.98 (15)
O3—Sn1—Co1^x	42.60 (9)	Co1^vi—O1—O3^xvi	42.59 (8)
O3^ix—Sn1—Co1^x	137.40 (9)	Sn1^vi—O1—O3^xvi	42.59 (8)
O1^x—Sn1—Co1^x	91.55 (7)	O3^xx—O1—O3^xvi	89.84 (10)
O1^xi—Sn1—Co1^x	88.45 (7)	Ba1—O1—O3^xvi	91.63 (10)
O1^xii—Sn1—Co1^x	137.22 (6)	O3—O1—O3^xvi	176.68 (18)
O1^xiii—Sn1—Co1^x	42.78 (6)	Sn2—O1—Co2	73.06 (6)
Sn1^x—Sn1—Co1^x	0.0	Co1^viii—O1—Co2	76.66 (3)
Sn1^xiv—Sn1—Co1^x	180.0	Sn1^viii—O1—Co2	76.66 (3)
O3—Sn1—Co1^xiv	137.40 (9)	Co1^vi—O1—Co2	157.83 (12)
O3^ix—Sn1—Co1^xiv	42.60 (9)	Sn1^vi—O1—Co2	157.83 (12)
O1^x—Sn1—Co1^xiv	88.45 (7)	O3^xx—O1—Co2	120.06 (6)
O1^xi—Sn1—Co1^xiv	91.55 (7)	Ba1—O1—Co2	60.56 (4)
O1^xii—Sn1—Co1^xiv	42.78 (6)	O3—O1—Co2	39.11 (11)
O1^xiii—Sn1—Co1^xiv	137.22 (6)	O3^xvi—O1—Co2	143.08 (14)
Sn1^x—Sn1—Co1^xiv	180.0	Sn2—O1—Co2^xvi	73.06 (6)
Sn1^xiv—Sn1—Co1^xiv	0.0	Co1^viii—O1—Co2^xvi	157.83 (12)
Co1^x—Sn1—Co1^xiv	180.0	Sn1^viii—O1—Co2^xvi	157.83 (12)
O3—Sn1—Sn1^xv	137.40 (9)	Co1^vi—O1—Co2^xvi	76.66 (3)
O3^ix—Sn1—Sn1^xv	42.60 (9)	Sn1^vi—O1—Co2^xvi	76.66 (3)
O1^x—Sn1—Sn1^xv	42.78 (6)	O3^xx—O1—Co2^xvi	120.06 (6)
O1^xi—Sn1—Sn1^xv	137.22 (6)	Ba1—O1—Co2^xvi	60.56 (4)
O1^xii—Sn1—Sn1^xv	88.45 (7)	O3—O1—Co2^xvi	143.08 (14)
O1^xiii—Sn1—Sn1^xv	91.55 (7)	O3^xvi—O1—Co2^xvi	39.11 (11)
Sn1^x—Sn1—Sn1^xv	120.0	Co2—O1—Co2^xvi	104.01 (7)
Sn1^xiv—Sn1—Sn1^xv	60.0	Co2—O2—Sn2	136.63 (8)
Co1^x—Sn1—Sn1^xv	120.0	Co2—O2—Sn2^v	136.63 (8)
Co1^xiv—Sn1—Sn1^xv	60.0	Sn2—O2—Sn2^v	86.75 (15)
O3—Sn1—Co1^xv	137.40 (9)	Co2—O2—Ba1^xviii	86.03 (8)
O3^ix—Sn1—Co1^xv	42.60 (9)	Sn2—O2—Ba1^xviii	92.88 (5)
O1^x—Sn1—Co1^xv	42.78 (6)	Sn2^v—O2—Ba1^xviii	92.88 (5)
O1^xi—Sn1—Co1^xv	137.22 (6)	Co2—O2—Ba1	86.03 (8)
O1^xii—Sn1—Co1^xv	88.45 (7)	Sn2—O2—Ba1	92.88 (5)
O1^xiii—Sn1—Co1^xv	91.55 (7)	Sn2^v—O2—Ba1	92.88 (5)
Sn1^x—Sn1—Co1^xv	120.0	Ba1^xviii—O2—Ba1	172.06 (15)
Sn1^xiv—Sn1—Co1^xv	60.0	Co2—O2—O3^v	51.07 (9)
Co1^x—Sn1—Co1^xv	120.0	Sn2—O2—O3^v	172.31 (15)
Co1^xiv—Sn1—Co1^xv	60.0	Sn2^v—O2—O3^v	85.56 (7)
Sn1^xv—Sn1—Co1^xv	0.0	Ba1^xviii—O2—O3^v	87.51 (5)
O1^vi—Sn2—O1	101.38 (11)	Ba1—O2—O3^v	87.51 (5)
O1^vi—Sn2—O1^xii	101.38 (11)	Co2—O2—O3	51.07 (9)
O1—Sn2—O1^xii	101.38 (11)	Sn2—O2—O3	85.56 (7)
O1^vi—Sn2—O2	163.32 (12)	Sn2^v—O2—O3	172.31 (15)
O1—Sn2—O2	89.07 (8)	Ba1^xviii—O2—O3	87.51 (5)
O1^xii—Sn2—O2	89.07 (8)	Ba1—O2—O3	87.51 (5)
O1^vi—Sn2—O2^vi	89.07 (8)	O3^v—O2—O3	102.13 (17)
O1—Sn2—O2^vi	89.07 (8)	Sn1—O3—Co1^x	94.80 (17)
O1^xii—Sn2—O2^vi	163.32 (12)	Sn1—O3—Sn1^x	94.80 (17)
O2—Sn2—O2^vi	78.03 (12)	Co1^x—O3—Sn1^x	0.0
O1^vi—Sn2—O2^xii	89.07 (8)	Sn1—O3—Co1^viii	94.80 (17)
O1—Sn2—O2^xii	163.32 (12)	Co1^x—O3—Co1^viii	94.80 (17)
O1^xii—Sn2—O2^xii	89.07 (8)	Sn1^x—O3—Co1^viii	94.80 (17)
O2—Sn2—O2^xii	78.03 (12)	Sn1—O3—Sn1^viii	94.80 (17)
O2^vi—Sn2—O2^xii	78.03 (12)	Co1^x—O3—Sn1^viii	94.80 (17)
O1^vi—Sn2—Sn2^v	116.69 (9)	Sn1^x—O3—Sn1^viii	94.80 (17)
O1—Sn2—Sn2^v	116.69 (9)	Co1^viii—O3—Sn1^viii	0.0
O1^xii—Sn2—Sn2^v	116.69 (9)

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

Table 1
Selected geometric parameters (Å, °) top

Ba1—O1ⁱ	2.918 (3)	Sn1—O1^xi	2.074 (2)
Ba1—O1ⁱⁱ	2.918 (3)	Sn1—O1^xii	2.074 (2)
Ba1—O1ⁱⁱⁱ	2.918 (3)	Sn1—O1^xiii	2.074 (2)
Ba1—O1	2.918 (3)	Sn2—O1^vi	2.040 (3)
Ba1—O1^iv	2.918 (3)	Sn2—O1	2.040 (3)
Ba1—O1^v	2.918 (3)	Sn2—O1^xii	2.040 (3)
Ba1—O2ⁱⁱ	3.051 (6)	Sn2—O2	2.127 (3)
Ba1—O2^vi	3.051 (6)	Sn2—O2^vi	2.127 (3)
Ba1—O2^vii	3.051 (6)	Sn2—O2^xii	2.127 (3)
Ba1—O2^iv	3.051 (6)	Sn2—Sn2^v	2.9217 (11)
Ba1—O2	3.051 (6)	Co2—O2^x	1.969 (4)
Ba1—O2^viii	3.051 (6)	Co2—O2^viii	1.969 (4)
Sn1—O3	2.068 (3)	Co2—O2	1.969 (4)
Sn1—O3^ix	2.068 (3)	Co2—O3	2.437 (6)
Sn1—O1^x	2.074 (2)	Co2—O3^v	2.437 (6)

O3—Sn1—O3^ix	180.0 (3)	O1—Sn2—O2	89.07 (8)
O3—Sn1—O1^x	94.67 (11)	O2^x—Co2—O2^viii	120.000 (1)
O3^ix—Sn1—O1^x	85.33 (11)	O2^x—Co2—O3	90.0
O1^vi—Sn2—O1	101.38 (11)	O3—Co2—O3^v	180.0
O1^vi—Sn2—O2	163.32 (12)

supplementary materials

R-Ferrite-type barium cobalt stannate, BaCo₂Sn₄O₁₁

H. Yamane, T. Ono and T. Yamada

	Fig. 1. Structure of BaCo₂Sn₄O₁₁ in terms of cation-centered oxygen polyhedra.
	Fig. 2. The O-atom coordination around the cation sites of BaCo₂Sn₄O₁₁ (symmetry codes as in Table 1). Displacement ellipsoids are drawn at the 99% probability level.

supplementary materials

R-Ferrite-type barium cobalt stannate, BaCo2Sn4O11

H. Yamane, T. Ono and T. Yamada

R-Ferrite-type barium cobalt stannate, BaCo₂Sn₄O₁₁