Zn location in the W-type hexagonal ferrite SrZnCoFe₁₆O₂₇

The title compound, SrZnCoFe₁₆O₂₇ (ZnCo-W), strontium zinc cobalt hexadecairon oxide, crystallizes in space group P6₃/mmc, with the Sr atom at a site with symmetry and Zn²⁺ located at two tetrahedral sites (4e and 4f, each with 3m symmetry) of the spinel blocks. The Zn occupancy is 36% on equipoint 4e and 14% on 4f. The enrichment of diamagnetic ions on one of seven sublattices is thought to be responsible for the high temperature dependence of the saturation magnetization.

S1. Comment

W-type hexagonal ferrites are ferrimagnetic oxides in which the cations are distributed over seven sublattices (one bipyramidal, two tetrahedral and four octahedral sites, Fig. 1). At low temperatures, Zn-containing W ferrites have the highest saturation magnetization of all ferrites. According to their well known site preference, the diamagnetic Zn²⁺ ions are incorporated in the tetrahedral interstices of the close packing of O atoms. They exclusively reduce the magnetic moments of the minority sublattice so that the resulting total magnetization is enhanced. In the solid solution series SrZn_xCo_{2 - x}Fe₁₆O₂₇, no further increase of the low-temperature saturation magnetization is found for x > 1.5, indicating that the diamagnetic dilution becomes high enough to weaken severely the magnetic superexchange interactions and disturb the otherwise collinear spin arrangement. The magnetization of Zn_xCo_{2 - x}—W ferrites with high Zn contents shows a relatively strong decrease with increasing? temperature, so that, at room temperature, their saturation magnetization is no higher than that of Zn-free W ferrites (Graetsch et al., 1984).

Partial combined substitution of Li⁺/Fe³⁺ for Zn²⁺ into Zn₂—W ferrite, however, yields an approximately 15% higher saturation magnetization at room temperature for the composition SrZnLi_0.5Fe_16.5O₂₇, whereas both compounds have approximately the same saturation magnetization at 0 K (Ram & Joubert, 1991). This has been ascribed to a selective incorporation of Li⁺ in the octahedral sites of the R blocks (Ram & Joubert, 1991; Albanese et al., 1994), which also belong to the minority sublattice. The distribution of diamagnetic cations over several sites of the minority sublattice obviously reduces the temperature dependence of the saturation magnetization.

The present crystal structure refinement of SrZnCoFe₁₆O₂₇ or ZnCo-W was undertaken in order to obtain more information about the cation distribution, which might be useful to understand more details of the magnetization behaviour.

In contrast with magnetoplumbite and spinel, the tetrahedral sites in the spinel blocks of the W-type structure are not symmetrically equivalent. In SrZn₂Fe₁₆O₂₇, 50% of the available tetrahedral sites are occupied by Zn ions. Zn is enriched on equipoint 4 e with an occupancy of about 3/4, compared with 1/4 on 4f (Graetsch et al., 1986). The old data set for Zn₂—W has been reprocessed using SHELXL97 (Sheldrick, 1997). Application of an extinction correction yielded more precise site occupancy factors of 0.695 (2) and 0.305 (2) for the equipoints 4 e (Me2 tetrahedron) and 4f (Me4 tetrahedron), respectively. The corresponding values for ZnCo-W are 0.3557 (1) for Me2 and 0.1443 (1) for Me4 (Fig. 1). Thus, the ratio of Zn atoms on the Me2 and Me4 tetrahedral sites is approximately constant in ZnCo-W and Zn₂—W, with a value of 2. Both tetrahedra are distorted to trigonal pyramids, elongated along the c axis for Me4 and shortened for Me2. The mean M—O distances are slightly longer for the Zn-rich Me2 polyhedron (1.917 Å, compared with 1.908 Å for Me4).

Due to the small difference in the X-ray scattering factors for Co²⁺ and Fe³⁺, the location of the Co ions in ZnCo-W could only be detected by the different sizes of the ions and the corresponding interatomic Me—O distances. Comparision with BaCo₂Fe₁₆O₂₇, SrZn₂Fe₁₆O₂₇ and SrFe₁₂O₁₉ indicated an enrichment of Co²⁺ (high-spin state) in the Me1 octahedra within the spinel blocks. This finding is in accordance with the results of a neutron diffraction study on BaCo₂Fe₁₆O₂₇ (Collomb et al., 1986).

The trigonal bipyramid in the R blocks of hexagonal ferrites is known to show some disorder, which is mainly of dynamic origin. The position of the central cation (Fe7) is described by a split-atom model, where Fe³⁺ ions with half occupancy are displaced from the centre of the bipyramid and the horizontal mirror plane in either direction of the c axis. The distance between the positions of the split atoms is 0.301 (2) Å in ZnCo-W, which is in the range of other W-type and magnetoplumbite-type hexaferrites (Graetsch & Gebert, 1996). The displacement ellipsoids of the three horizontal O7 and two apical O6 atoms are elongated perpendicular and parallel to the c axis, respectively, indicating that the O atoms are affected by the vibrations of Fe7 through the triangle formed by O7 atoms on the horizontal mirror plane.

S2. Experimental

ZnCo-W crystals with a size of up to ca 3 mm were grown from a SrO/B₂O₃ flux by slow cooling of the melt in a platinum crucible from 1613 to 1223 K at a rate of 2.5 K h^-1. The crystals were removed from the solidified flux with hot dilute HNO₃. Chemical analysis showed that deviation from stoichiometric SrZnCoFe₁₆O₂₇ was negligible and that the FeO content was less than 1% of the starting amount of Fe₂O₃ (Graetsch et al., 1984).

S3. Refinement

Lattice parameters were refined from a Guinier X-ray powder diagram using Si as the internal standard. Soft constraints were used in order to restrict the sum of the Zn atoms on both tetrahedral sites to one Zn per formula unit, and to fix full occupancy of the Me2 and Me4 tetrahedral sites by both Zn²⁺ and Fe³⁺. From interatomic distance considerations, it was assumed that Co occupies one third of the octahedral Me1 positions.

Computing details

Data collection: CrysAlis CCD (Oxford Diffraction, 2002); cell refinement: LCLSQ (Burnham, 1963); data reduction: CrysAlis RED (Oxford Diffraction, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ATOMS for Windows (Dowty, 1994); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures

Fig. 1. A polyhedral representation of SrZnCoFe16O27 W-type hexagonal ferrite. Me1—Me7 denote the different types of polyhedra.

strontium zinc cobalt hexadecairon oxide

Crystal data

CoFe16O27SrZn	Dx = 5.164 Mg m^−3
Mr = 1537.52	Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P63/mmc	Cell parameters from 30 reflections
Hall symbol: -P 6c 2c	θ = 2.5–42.5°
a = 5.902 (1) Å	µ = 16.14 mm^−1
c = 32.78 (1) Å	T = 293 K
V = 988.9 (4) Å^3	Plate, black
Z = 2	0.33 × 0.15 × 0.05 mm
F(000) = 1454

Data collection

Xcalibur with Sapphire2 CCD-area detector diffractometer	687 independent reflections
Radiation source: fine-focus sealed tube	659 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.052
ω and ϕ scans	θmax = 31.4°, θmin = 3.7°
Absorption correction: numerical after shape optimisation Ref.	h = −8→8
Tmin = 0.085, Tmax = 0.468	k = −8→8
16610 measured reflections	l = −45→45

Refinement

Refinement on F^2	Primary atom site location: patterson
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.023	w = 1/[σ^2(Fo^2) + (0.0178P)^2 + 2.9005P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.056	(Δ/σ)max = 0.005
S = 1.30	Δρmax = 0.85 e Å^−3
687 reflections	Δρmin = −0.68 e Å^−3
62 parameters	Extinction correction: SHELXL97 (Sheldrick, 1997), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.00828 (18)

Special details

Experimental. 3591 data frames and 26 reference frames were recorded with a framewidth of 0.75 and an exposure time of 15 s resulting in a coverage of 91.6% at a resolution of 0.75 Å and an average redundancy of 23.2. The sample to detector distance was 120.3 mm.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Sr	0.0	0.0	0.25	0.01301 (10)
Fe1	0.5	1.0	0.0	0.00701 (8)	0.66667
Co1	0.5	1.0	0.0	0.00701 (8)	0.33333
Fe2	0.0	0.0	0.056350 (14)	0.00632 (9)	0.64430 (10)
Zn2	0.0	0.0	0.056350 (14)	0.00632 (9)	0.35570 (10)
Fe3	0.3333	0.6667	−0.074897 (15)	0.00573 (10)
Fe4	0.3333	0.6667	0.093675 (15)	0.00531 (10)	0.85570 (10)
Zn4	0.3333	0.6667	0.093675 (15)	0.00531 (10)	0.14430 (10)
Fe5	0.83562 (3)	1.67123 (6)	0.151283 (9)	0.00552 (6)
Fe6	0.3333	0.6667	0.208509 (16)	0.00529 (10)
Fe7	0.3333	0.6667	−0.25459 (4)	0.0041 (2)	0.5
O1	0.82328 (14)	1.6466 (3)	0.03606 (4)	0.0072 (3)
O2	0.3333	0.6667	0.03487 (8)	0.0084 (5)
O3	0.51093 (14)	1.0219 (3)	0.11089 (4)	0.0059 (3)
O4	0.0	0.0	0.11408 (8)	0.0072 (5)
O5	0.16277 (15)	0.3255 (3)	0.18041 (5)	0.0075 (3)
O6	0.3333	0.6667	−0.18063 (8)	0.0058 (5)
O7	0.4854 (2)	0.9709 (4)	0.25	0.0085 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sr	0.01438 (13)	0.01438 (13)	0.0103 (2)	0.00719 (7)	0.0	0.0
Fe1	0.00781 (12)	0.00714 (17)	0.00585 (15)	0.00357 (8)	−0.00033 (7)	−0.00067 (15)
Co1	0.00781 (12)	0.00714 (17)	0.00585 (15)	0.00357 (8)	−0.00033 (7)	−0.00067 (15)
Fe2	0.00690 (12)	0.00690 (12)	0.00515 (19)	0.00345 (6)	0.0	0.0
Zn2	0.00690 (12)	0.00690 (12)	0.00515 (19)	0.00345 (6)	0.0	0.0
Fe3	0.00640 (13)	0.00640 (13)	0.0044 (2)	0.00320 (6)	0.0	0.0
Fe4	0.00527 (12)	0.00527 (12)	0.0054 (2)	0.00264 (6)	0.0	0.0
Zn4	0.00527 (12)	0.00527 (12)	0.0054 (2)	0.00264 (6)	0.0	0.0
Fe5	0.00576 (9)	0.00483 (12)	0.00567 (11)	0.00242 (6)	−0.00012 (5)	−0.00024 (10)
Fe6	0.00573 (12)	0.00573 (12)	0.0044 (2)	0.00286 (6)	0.0	0.0
Fe7	0.00484 (19)	0.00484 (19)	0.0027 (6)	0.00242 (9)	0.0	0.0
O1	0.0080 (4)	0.0076 (6)	0.0059 (6)	0.0038 (3)	0.0007 (3)	0.0015 (5)
O2	0.0097 (7)	0.0097 (7)	0.0058 (11)	0.0048 (3)	0.0	0.0
O3	0.0074 (4)	0.0060 (6)	0.0038 (5)	0.0030 (3)	0.0002 (3)	0.0005 (5)
O4	0.0088 (6)	0.0088 (6)	0.0042 (10)	0.0044 (3)	0.0	0.0
O5	0.0073 (4)	0.0085 (7)	0.0070 (6)	0.0042 (3)	−0.0010 (3)	−0.0019 (5)
O6	0.0048 (6)	0.0048 (6)	0.0078 (11)	0.0024 (3)	0.0	0.0
O7	0.0135 (7)	0.0060 (9)	0.0036 (8)	0.0030 (5)	0.0	0.0

Geometric parameters (Å, º)

Sr—O5^i	2.8235 (16)	Fe3—O3^xii	1.9815 (15)
Sr—O5^ii	2.8235 (16)	Fe3—O1^xii	2.0455 (15)
Sr—O5	2.8235 (16)	Fe3—O1^xiv	2.0455 (15)
Sr—O5^iii	2.8235 (16)	Fe3—O1^xvi	2.0455 (15)
Sr—O5^iv	2.8235 (16)	Fe3—Fe1^xiv	2.9884 (8)
Sr—O5^v	2.8235 (16)	Fe3—Fe1^xii	2.9884 (8)
Sr—O7^vi	2.955 (3)	Fe4—O3	1.9012 (15)
Sr—O7^vii	2.955 (3)	Fe4—O3^xxii	1.9012 (15)
Sr—O7^viii	2.955 (3)	Fe4—O3^xxiii	1.9012 (15)
Sr—O7^ix	2.955 (3)	Fe4—O2	1.928 (3)
Sr—O7^x	2.955 (3)	Fe5—O5^xxiv	1.9257 (10)
Sr—O7^xi	2.955 (3)	Fe5—O5^xxv	1.9257 (10)
Fe1—O1^xii	2.0336 (10)	Fe5—O6^xvi	1.9769 (14)
Fe1—O1^xiii	2.0336 (10)	Fe5—O4^xxvi	2.0763 (15)
Fe1—O1^xiv	2.0336 (10)	Fe5—O3^xv	2.1263 (11)
Fe1—O1^xv	2.0336 (10)	Fe5—O3^xiii	2.1263 (11)
Fe1—O2^xvi	2.0517 (15)	Fe5—Fe5^xxvii	2.9106 (7)
Fe1—O2	2.0517 (15)	Fe5—Fe5^xxviii	2.9106 (7)
Fe1—Fe1^xiv	2.9510 (5)	Fe5—Sr^xxvi	3.6463 (9)
Fe1—Fe1^xvii	2.9510 (5)	Fe6—O5^xxiii	1.9719 (15)
Fe1—Fe1^xiv	2.9510 (5)	Fe6—O5	1.9719 (15)
Fe1—Fe1^xvii	2.9510 (5)	Fe6—O5^xxii	1.9719 (16)
Fe1—Fe1^xviii	2.9510 (5)	Fe6—O7	2.0657 (17)
Fe1—Fe1^xii	2.9510 (5)	Fe6—O7^x	2.0657 (17)
Fe2—O4	1.892 (3)	Fe6—O7^vi	2.0657 (17)
Fe2—O1^xix	1.9251 (15)	Fe6—Fe6^iii	2.7202 (13)
Fe2—O1^xx	1.9251 (15)	Fe7—O7^xvi	1.859 (2)
Fe2—O1^xxi	1.9251 (15)	Fe7—O7^xxix	1.859 (2)
Fe3—O3^xiv	1.9815 (15)	Fe7—O7^xxx	1.859 (2)
Fe3—O3^xvi	1.9815 (15)	Fe7—O6^xxxi	2.124 (3)
O5^i—Sr—O5^ii	61.38 (5)	O3^xxiii—Fe4—O2	107.26 (4)
O5^i—Sr—O5	61.38 (5)	O5^xxiv—Fe5—O5^xxv	96.89 (9)
O5^ii—Sr—O5	61.38 (5)	O5^xxiv—Fe5—O6^xvi	98.26 (6)
O5^i—Sr—O5^iii	145.73 (3)	O5^xxv—Fe5—O6^xvi	98.26 (6)
O5^ii—Sr—O5^iii	145.73 (3)	O5^xxiv—Fe5—O4^xxvi	86.25 (5)
O5—Sr—O5^iii	107.78 (6)	O5^xxv—Fe5—O4^xxvi	86.25 (5)
O5^i—Sr—O5^iv	145.73 (3)	O6^xvi—Fe5—O4^xxvi	173.14 (9)
O5^ii—Sr—O5^iv	107.78 (6)	O5^xxiv—Fe5—O3^xv	90.95 (6)
O5—Sr—O5^iv	145.73 (3)	O5^xxv—Fe5—O3^xv	170.74 (6)
O5^iii—Sr—O5^iv	61.38 (5)	O6^xvi—Fe5—O3^xv	85.44 (6)
O5^i—Sr—O5^v	107.78 (6)	O4^xxvi—Fe5—O3^xv	89.35 (5)
O5^ii—Sr—O5^v	145.73 (3)	O5^xxiv—Fe5—O3^xiii	170.74 (6)
O5—Sr—O5^v	145.73 (3)	O5^xxv—Fe5—O3^xiii	90.95 (6)
O5^iii—Sr—O5^v	61.38 (5)	O6^xvi—Fe5—O3^xiii	85.44 (6)
O5^iv—Sr—O5^v	61.38 (5)	O4^xxvi—Fe5—O3^xiii	89.35 (5)
O5^i—Sr—O7^vi	119.66 (3)	O3^xv—Fe5—O3^xiii	80.84 (8)
O5^ii—Sr—O7^vi	91.70 (2)	O5^xxiii—Fe6—O5	99.95 (6)
O5—Sr—O7^vi	58.36 (3)	O5^xxiii—Fe6—O5^xxii	99.95 (6)
O5^iii—Sr—O7^vi	58.36 (3)	O5—Fe6—O5^xxii	99.95 (6)
O5^iv—Sr—O7^vi	91.70 (2)	O5^xxiii—Fe6—O7	88.55 (4)
O5^v—Sr—O7^vi	119.66 (3)	O5—Fe6—O7	166.67 (6)
O5^i—Sr—O7^vii	58.36 (3)	O5^xxii—Fe6—O7	88.55 (4)
O5^ii—Sr—O7^vii	91.70 (2)	O5^xxiii—Fe6—O7^x	88.55 (4)
O5—Sr—O7^vii	119.66 (3)	O5—Fe6—O7^x	88.55 (4)
O5^iii—Sr—O7^vii	119.66 (3)	O5^xxii—Fe6—O7^x	166.66 (6)
O5^iv—Sr—O7^vii	91.70 (2)	O7—Fe6—O7^x	81.36 (6)
O5^v—Sr—O7^vii	58.36 (3)	O5^xxiii—Fe6—O7^vi	166.66 (6)
O7^vi—Sr—O7^vii	174.22 (8)	O5—Fe6—O7^vi	88.55 (4)
O5^i—Sr—O7^viii	91.70 (3)	O5^xxii—Fe6—O7^vi	88.55 (4)
O5^ii—Sr—O7^viii	58.36 (3)	O7—Fe6—O7^vi	81.36 (6)
O5—Sr—O7^viii	119.66 (3)	O7^x—Fe6—O7^vi	81.36 (6)
O5^iii—Sr—O7^viii	119.66 (3)	O7^xvi—Fe7—O7^xxix	119.351 (10)
O5^iv—Sr—O7^viii	58.36 (3)	O7^xvi—Fe7—O7^xxx	119.351 (10)
O5^v—Sr—O7^viii	91.70 (3)	O7^xxix—Fe7—O7^xxx	119.351 (10)
O7^vi—Sr—O7^viii	120.0000 (10)	O7^xvi—Fe7—O6^xxxi	94.64 (4)
O7^vii—Sr—O7^viii	65.78 (8)	O7^xxix—Fe7—O6^xxxi	94.64 (4)
O5^i—Sr—O7^ix	119.66 (3)	O7^xxx—Fe7—O6^xxxi	94.64 (4)
O5^ii—Sr—O7^ix	58.36 (3)	Fe2^xxvi—O1—Fe1^xviii	123.13 (5)
O5—Sr—O7^ix	91.70 (3)	Fe2^xxvi—O1—Fe1^xviii	123.13 (5)
O5^iii—Sr—O7^ix	91.70 (3)	Fe2^xxvi—O1—Fe1^xviii	123.13 (5)
O5^iv—Sr—O7^ix	58.36 (3)	Fe2^xxvi—O1—Fe1^xviii	123.13 (5)
O5^v—Sr—O7^ix	119.66 (3)	Fe2^xxvi—O1—Fe1^xvii	123.13 (5)
O7^vi—Sr—O7^ix	65.78 (8)	Fe2^xxvi—O1—Fe1^xvii	123.13 (5)
O7^vii—Sr—O7^ix	120.0000 (10)	Fe1^xviii—O1—Fe1^xvii	93.03 (6)
O7^viii—Sr—O7^ix	54.22 (8)	Fe1^xviii—O1—Fe1^xvii	93.03 (6)
O5^i—Sr—O7^x	91.70 (2)	Fe2^xxvi—O1—Fe1^xvii	123.13 (5)
O5^ii—Sr—O7^x	119.66 (3)	Fe2^xxvi—O1—Fe1^xvii	123.13 (5)
O5—Sr—O7^x	58.36 (3)	Fe1^xviii—O1—Fe1^xvii	93.03 (6)
O5^iii—Sr—O7^x	58.36 (3)	Fe1^xviii—O1—Fe1^xvii	93.03 (6)
O5^iv—Sr—O7^x	119.66 (3)	Fe2^xxvi—O1—Fe3^xvi	121.29 (7)
O5^v—Sr—O7^x	91.70 (2)	Fe2^xxvi—O1—Fe3^xvi	121.29 (7)
O7^vi—Sr—O7^x	54.22 (8)	Fe1^xviii—O1—Fe3^xvi	94.21 (5)
O7^vii—Sr—O7^x	120	Fe1^xviii—O1—Fe3^xvi	94.21 (5)
O7^viii—Sr—O7^x	174.22 (8)	Fe1^xvii—O1—Fe3^xvi	94.21 (5)
O7^ix—Sr—O7^x	120	Fe1^xvii—O1—Fe3^xvi	94.21 (5)
O5^i—Sr—O7^xi	58.36 (3)	Fe4—O2—Fe1^xiv	123.86 (6)
O5^ii—Sr—O7^xi	119.66 (3)	Fe4—O2—Fe1^xiv	123.86 (6)
O5—Sr—O7^xi	91.70 (2)	Fe4—O2—Fe1	123.86 (6)
O5^iii—Sr—O7^xi	91.70 (2)	Fe1^xiv—O2—Fe1	91.97 (9)
O5^iv—Sr—O7^xi	119.66 (3)	Fe1^xiv—O2—Fe1	91.97 (9)
O5^v—Sr—O7^xi	58.36 (3)	Fe4—O2—Fe1^xii	123.86 (6)
O7^vi—Sr—O7^xi	120	Fe1^xiv—O2—Fe1^xii	91.97 (9)
O7^vii—Sr—O7^xi	54.22 (8)	Fe1^xiv—O2—Fe1^xii	91.97 (9)
O7^viii—Sr—O7^xi	120	Fe1—O2—Fe1^xii	91.97 (9)
O7^ix—Sr—O7^xi	174.22 (8)	Fe4—O2—Fe1^xii	123.86 (6)
O7^x—Sr—O7^xi	65.78 (8)	Fe1^xiv—O2—Fe1^xii	91.97 (9)
O1^xii—Fe1—O1^xiii	180.00 (6)	Fe1^xiv—O2—Fe1^xii	91.97 (9)
O1^xii—Fe1—O1^xiv	85.97 (8)	Fe1—O2—Fe1^xii	91.97 (9)
O1^xiii—Fe1—O1^xiv	94.03 (8)	Fe4—O3—Fe3^xvi	126.20 (8)
O1^xii—Fe1—O1^xv	94.03 (8)	Fe4—O3—Fe5^xv	120.79 (5)
O1^xiii—Fe1—O1^xv	85.97 (8)	Fe3^xvi—O3—Fe5^xv	95.48 (5)
O1^xiv—Fe1—O1^xv	180.00 (7)	Fe4—O3—Fe5^xiii	120.79 (5)
O1^xii—Fe1—O2^xvi	92.58 (5)	Fe3^xvi—O3—Fe5^xiii	95.48 (5)
O1^xiii—Fe1—O2^xvi	87.42 (5)	Fe5^xv—O3—Fe5^xiii	89.41 (6)
O1^xiv—Fe1—O2^xvi	92.58 (5)	Fe2—O4—Fe5^xx	125.97 (6)
O1^xv—Fe1—O2^xvi	87.42 (5)	Fe2—O4—Fe5^xxi	125.97 (6)
O1^xii—Fe1—O2	87.42 (5)	Fe5^xx—O4—Fe5^xxi	89.00 (8)
O1^xiii—Fe1—O2	92.58 (5)	Fe2—O4—Fe5^xix	125.97 (6)
O1^xiv—Fe1—O2	87.42 (5)	Fe5^xx—O4—Fe5^xix	89.00 (8)
O1^xv—Fe1—O2	92.58 (5)	Fe5^xxi—O4—Fe5^xix	89.00 (8)
O2^xvi—Fe1—O2	180.00 (12)	Fe5^xxi—O5—Fe5^xx	98.18 (7)
O4—Fe2—O1^xix	110.21 (4)	Fe5^xxi—O5—Fe6	127.58 (4)
O4—Fe2—O1^xx	110.21 (4)	Fe5^xx—O5—Fe6	127.58 (4)
O1^xix—Fe2—O1^xx	108.72 (5)	Fe5^xxi—O5—Sr	98.54 (5)
O4—Fe2—O1^xxi	110.21 (4)	Fe5^xx—O5—Sr	98.54 (5)
O1^xix—Fe2—O1^xxi	108.72 (5)	Fe6—O5—Sr	98.27 (6)
O1^xx—Fe2—O1^xxi	108.72 (5)	Fe5^xii—O6—Fe5^xiv	98.33 (9)
O3^xiv—Fe3—O3^xvi	88.18 (6)	Fe5^xii—O6—Fe5^xvi	98.33 (9)
O3^xiv—Fe3—O3^xii	88.18 (6)	Fe5^xiv—O6—Fe5^xvi	98.33 (9)
O3^xvi—Fe3—O3^xii	88.18 (6)	Fe5^xii—O6—Fe7^xxxi	119.12 (7)
O3^xiv—Fe3—O1^xii	93.22 (4)	Fe5^xiv—O6—Fe7^xxxi	119.12 (7)
O3^xvi—Fe3—O1^xii	93.22 (4)	Fe5^xvi—O6—Fe7^xxxi	119.12 (7)
O3^xii—Fe3—O1^xii	178.05 (6)	Fe7^xxxii—O7—Fe6	134.18 (5)
O3^xiv—Fe3—O1^xiv	178.05 (6)	Fe7^xvi—O7—Fe6	143.47 (6)
O3^xvi—Fe3—O1^xiv	93.22 (4)	Fe7^xxxii—O7—Fe6^iii	143.47 (6)
O3^xii—Fe3—O1^xiv	93.22 (4)	Fe7^xvi—O7—Fe6^iii	134.18 (5)
O1^xii—Fe3—O1^xiv	85.35 (6)	Fe6—O7—Fe6^iii	82.36 (8)
O3^xiv—Fe3—O1^xvi	93.22 (4)	Fe7^xxxii—O7—Sr^xxxiii	87.12 (4)
O3^xvi—Fe3—O1^xvi	178.05 (6)	Fe7^xvi—O7—Sr^xxxiii	87.12 (4)
O3^xii—Fe3—O1^xvi	93.22 (4)	Fe6—O7—Sr^xxxiii	92.17 (3)
O1^xii—Fe3—O1^xvi	85.35 (6)	Fe6^iii—O7—Sr^xxxiii	92.17 (3)
O1^xiv—Fe3—O1^xvi	85.35 (6)	Fe7^xxxii—O7—Sr^xxxiv	87.12 (4)
O3—Fe4—O3^xxii	111.59 (4)	Fe7^xvi—O7—Sr^xxxiv	87.12 (4)
O3—Fe4—O3^xxiii	111.59 (4)	Fe6—O7—Sr^xxxiv	92.17 (3)
O3^xxii—Fe4—O3^xxiii	111.59 (4)	Fe6^iii—O7—Sr^xxxiv	92.17 (3)
O3—Fe4—O2	107.26 (4)	Sr^xxxiii—O7—Sr^xxxiv	174.22 (8)
O3^xxii—Fe4—O2	107.26 (4)

Symmetry codes: (i) −y, −x, z; (ii) x, x−y, z; (iii) x, y, −z+1/2; (iv) x, x−y, −z+1/2; (v) −y, −x, −z+1/2; (vi) x, x−y+1, −z+1/2; (vii) x−1, x−y, −z+1/2; (viii) −y+1, −x, −z+1/2; (ix) x, y−1, z; (x) −y+1, −x+1, −z+1/2; (xi) x−1, y−1, z; (xii) −x+1, −x+y, −z; (xiii) x, x−y+2, z; (xiv) y−1, x, −z; (xv) −y+2, −x+2, z; (xvi) −x+1, −y+2, −z; (xvii) y, x+1, −z; (xviii) −x+1, −x+y+1, −z; (xix) x−1, y−2, z; (xx) −y+2, −x+1, z; (xxi) x−1, x−y+1, z; (xxii) −y+1, −x+1, z; (xxiii) x, x−y+1, z; (xxiv) x+1, x−y+2, z; (xxv) −y+1, −x+2, z; (xxvi) x+1, y+2, z; (xxvii) −y+3, −x+3, z; (xxviii) x, x−y+3, z; (xxix) y−1, x, z−1/2; (xxx) −x+1, −x+y, z−1/2; (xxxi) x, y, −z−1/2; (xxxii) −x+1, −y+2, z+1/2; (xxxiii) x, y+1, z; (xxxiv) x+1, y+1, z.