Europium antimony sulfide, Eu6Sb6S17

Jin, G.; Wells, D.M.; Crerar, S.J.; Shehee, T.C.; Mar, A.; Albrecht-Schmitt, T.E.

doi:10.1107/S1600536805016211

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Europium antimony sulfide, Eu₆Sb₆S₁₇

G. Jin, D. M. Wells, S. J. Crerar, T. C. Shehee, A. Mar and T. E. Albrecht-Schmitt

Eu₆Sb₆S₁₇ is isotypic with Sr₆Sb₆S₁₇ and can be regarded as consisting of two isolated [Sb₃S₇]^5- anions and an S₃^2- polysulfide anion that are joined together by Eu²⁺ cations. There are six crystallographically unique Eu²⁺ cations bound by sulfide and polysulfide anions in seven-, eight- and nine-coordinate environments. Each of the [Sb₃S₇]^5- anions consists of a trinuclear assembly of corner-sharing SbS₃ units. The [Sb₃S₇]^5- anions are connected by long (3.1 Å) Sb-S interactions, forming one-dimensional ribbons running down the a axis and packed with opposing directions of polarity. The bent S₃^2- anions stack in columns parallel to the a axis, oriented in opposing directions with respect to one another. The overall structure is three-dimensional and has channels running down the a axis to house the stereochemically active lone pair of electrons on the Sb³⁺ centers. The presence of Eu²⁺ is supported by both magnetic measurements and bond-valence calculations.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805016211/wm6069sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805016211/wm6069Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 193 K
Mean (S-S) = 0.003 Å
R factor = 0.031
wR factor = 0.062
Data-to-parameter ratio = 26.8

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...          m
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...          n
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...          b

Alert level C
STRVA01_ALERT_4_C           Flack test results are ambiguous.
           From the CIF: _refine_ls_abs_structure_Flack    0.699
           From the CIF: _refine_ls_abs_structure_Flack_su    0.016
PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero .......       0.70
PLAT113_ALERT_2_C ADDSYM Suggests Possible Pseudo/New Spacegroup .       Pbca

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           28.32
           From the CIF: _reflns_number_total               7062
           Count of symmetry unique reflns         3990
           Completeness (_total/calc)            176.99%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      3072
           Fraction of Friedel pairs measured     0.770
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion


checkCIF publication errors

Alert level A
PUBL022_ALERT_1_A There is a mismatched ~ on line 242
              chalcoantimonites and chalcobismuthites, <i>e.g.</i> K~2~(Ln~2-~<i>~x~</i>~
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~
PUBL022_ALERT_1_A There is a mismatched ~ on line 243
              ~)Sb~4+~<i>~x~</i>Sb~4~Se~12~ (Ln = La, Ce, Pr and Gd; Chen & Dorhout, 1997),
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~

   2 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL; software used to prepare material for publication: SHELXTL.

europium antimony sulfide top

Crystal data top

Eu₆Sb₆S₁₇	F(000) = 3824
M_r = 2187.28	D_x = 5.095 Mg m⁻³
Orthorhombic, P2₁2₁2₁	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2ab	Cell parameters from 7062 reflections
a = 8.236 (2) Å	θ = 1.6–28.3°
b = 15.237 (3) Å	µ = 19.80 mm⁻¹
c = 22.724 (5) Å	T = 193 K
V = 2851.7 (11) Å³	Prism, black
Z = 4	0.11 × 0.08 × 0.05 mm

Data collection top

Bruker SMART APEX diffractometer	7062 independent reflections
Radiation source: fine-focus sealed tube	6058 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.055
ω scans	θ_max = 28.3°, θ_min = 1.6°
Absorption correction: numerical (SHELXTL; Sheldrick, 1997)	h = −10→10
T_min = 0.102, T_max = 0.383	k = −20→19
29271 measured reflections	l = −30→30

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ²(F_o²) + (0.0189P)²] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.031	(Δ/σ)_max = 0.002
wR(F²) = 0.062	Δρ_max = 1.41 e Å⁻³
S = 1.00	Δρ_min = −1.23 e Å⁻³
7062 reflections	Extinction correction: SHELXTL, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
264 parameters	Extinction coefficient: 0.000081 (7)
0 restraints	Absolute structure: Flack (1983), 3084 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.699 (16)

Special details top

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 (Å²) top

	x	y	z	U_iso*/U_eq
Eu1	−0.24890 (7)	−0.44990 (4)	0.21293 (3)	0.01187 (13)
Eu2	0.25359 (6)	−0.44487 (4)	0.21124 (2)	0.01138 (13)
Eu3	0.25743 (6)	−0.55805 (4)	0.04396 (2)	0.01101 (13)
Eu4	0.75051 (6)	−0.56076 (4)	0.04524 (2)	0.01075 (12)
Eu5	0.75622 (6)	−0.66597 (4)	−0.12281 (2)	0.01029 (13)
Eu6	1.24942 (6)	−0.66659 (4)	−0.12393 (2)	0.01054 (13)
Sb1	−0.02334 (8)	−0.20669 (4)	0.23203 (2)	0.01337 (14)
Sb2	0.01222 (9)	−0.31758 (4)	0.08537 (2)	0.01276 (12)
Sb3	0.49364 (9)	−0.32492 (4)	0.05958 (2)	0.01261 (12)
Sb4	0.53432 (7)	−0.42215 (4)	−0.09216 (3)	0.01265 (14)
Sb5	1.01938 (8)	−0.42766 (4)	−0.10816 (2)	0.01144 (13)
Sb6	0.99997 (9)	−0.80859 (3)	−0.25011 (2)	0.01199 (12)
S1	0.0001 (4)	−0.34890 (13)	0.28152 (9)	0.0120 (4)
S2	−0.2157 (3)	−0.26825 (19)	0.15715 (13)	0.0126 (6)
S3	0.2297 (3)	−0.2702 (2)	0.14998 (14)	0.0139 (6)
S4	0.0029 (3)	−0.47102 (14)	0.11941 (8)	0.0114 (4)
S5	0.5040 (3)	−0.46228 (14)	0.11727 (8)	0.0110 (4)
S6	0.2759 (3)	−0.3737 (2)	−0.00482 (13)	0.0140 (6)
S7	0.7240 (3)	−0.37670 (19)	−0.00959 (13)	0.0122 (6)
S8	0.5070 (3)	−0.56906 (13)	−0.05339 (8)	0.0099 (4)
S9	1.0089 (3)	−0.56270 (14)	−0.05055 (8)	0.0117 (4)
S10	0.7675 (3)	−0.4741 (2)	−0.16414 (14)	0.0131 (6)
S11	1.2424 (3)	−0.4778 (2)	−0.17007 (13)	0.0133 (6)
S12	0.7490 (3)	−0.84651 (18)	−0.19195 (12)	0.0109 (5)
S13	1.2119 (3)	−0.85439 (19)	−0.18205 (13)	0.0139 (6)
S14	0.9982 (4)	−0.65447 (13)	−0.22023 (8)	0.0104 (4)
S15	0.5012 (3)	−0.79586 (13)	−0.07184 (8)	0.0116 (4)
S16	0.3593 (3)	−0.75150 (16)	−0.00157 (10)	0.0113 (5)
S17	0.4964 (3)	−0.70617 (13)	0.06972 (8)	0.0120 (4)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Eu1	0.0112 (3)	0.0133 (3)	0.0110 (3)	−0.0005 (2)	0.0004 (2)	−0.0009 (2)
Eu2	0.0106 (3)	0.0131 (3)	0.0105 (3)	0.0000 (2)	0.0000 (2)	−0.0006 (2)
Eu3	0.0088 (2)	0.0118 (3)	0.0124 (3)	0.0002 (2)	0.0001 (2)	−0.0013 (2)
Eu4	0.0094 (2)	0.0114 (3)	0.0115 (3)	0.0003 (2)	−0.0004 (2)	−0.0013 (2)
Eu5	0.0094 (2)	0.0111 (3)	0.0103 (3)	0.0006 (2)	0.0000 (2)	0.0005 (2)
Eu6	0.0090 (2)	0.0116 (3)	0.0110 (3)	0.0006 (2)	−0.0001 (2)	0.0003 (2)
Sb1	0.0159 (4)	0.0116 (3)	0.0126 (3)	−0.0018 (3)	−0.0005 (3)	0.0003 (2)
Sb2	0.0130 (3)	0.0118 (3)	0.0134 (3)	−0.0001 (3)	−0.0021 (3)	0.0009 (2)
Sb3	0.0124 (3)	0.0111 (3)	0.0142 (3)	−0.0006 (3)	−0.0019 (3)	−0.0005 (2)
Sb4	0.0165 (4)	0.0094 (3)	0.0121 (3)	0.0002 (3)	−0.0021 (3)	0.0016 (2)
Sb5	0.0115 (3)	0.0098 (3)	0.0130 (3)	0.0000 (3)	0.0009 (3)	−0.0003 (2)
Sb6	0.0117 (3)	0.0113 (3)	0.0130 (2)	0.0004 (4)	−0.0009 (3)	−0.0019 (2)
S1	0.0113 (10)	0.0120 (10)	0.0126 (9)	0.0018 (13)	−0.0018 (13)	−0.0001 (8)
S2	0.0117 (12)	0.0147 (16)	0.0115 (14)	0.0011 (10)	0.0018 (10)	−0.0004 (12)
S3	0.0130 (12)	0.0133 (15)	0.0153 (14)	0.0001 (11)	0.0001 (11)	−0.0012 (11)
S4	0.0116 (10)	0.0117 (10)	0.0109 (9)	−0.0006 (13)	−0.0006 (12)	−0.0013 (8)
S5	0.0085 (10)	0.0134 (10)	0.0112 (9)	0.0012 (12)	0.0013 (12)	−0.0013 (8)
S6	0.0136 (13)	0.0139 (15)	0.0144 (15)	0.0020 (11)	−0.0035 (11)	−0.0006 (12)
S7	0.0101 (12)	0.0123 (15)	0.0142 (15)	0.0004 (11)	0.0003 (11)	−0.0005 (12)
S8	0.0104 (10)	0.0087 (9)	0.0105 (9)	0.0003 (13)	0.0005 (11)	0.0001 (7)
S9	0.0116 (10)	0.0139 (11)	0.0096 (9)	−0.0003 (12)	0.0008 (11)	0.0016 (8)
S10	0.0131 (12)	0.0137 (15)	0.0126 (13)	0.0013 (12)	0.0001 (11)	−0.0004 (12)
S11	0.0135 (12)	0.0137 (15)	0.0128 (14)	0.0000 (12)	0.0014 (11)	−0.0001 (12)
S12	0.0110 (12)	0.0108 (13)	0.0110 (13)	−0.0007 (11)	−0.0026 (11)	−0.0001 (10)
S13	0.0149 (13)	0.0117 (14)	0.0150 (14)	0.0004 (11)	−0.0029 (10)	−0.0008 (11)
S14	0.0113 (10)	0.0089 (10)	0.0111 (9)	0.0017 (12)	−0.0001 (12)	0.0006 (7)
S15	0.0127 (10)	0.0129 (10)	0.0093 (9)	−0.0007 (14)	−0.0006 (11)	−0.0004 (8)
S16	0.0114 (10)	0.0107 (11)	0.0119 (11)	0.0011 (10)	0.0020 (10)	0.0010 (9)
S17	0.0127 (10)	0.0106 (10)	0.0128 (9)	0.0003 (13)	0.0005 (12)	−0.0005 (8)

Geometric parameters (Å, º) top

Eu1—S5ⁱ	2.984 (3)	Eu6—S1^ix	2.988 (3)
Eu1—S4	2.987 (3)	Eu6—S14	3.017 (3)
Eu1—S1	3.000 (3)	Eu6—S9	3.035 (2)
Eu1—S14ⁱⁱ	3.009 (3)	Eu6—S8^vi	3.046 (2)
Eu1—S10ⁱⁱ	3.028 (3)	Eu6—S11	3.063 (3)
Eu1—S2	3.056 (3)	Eu6—S15^vi	3.095 (2)
Eu1—S13ⁱⁱⁱ	3.081 (3)	Eu6—S17^vii	3.101 (3)
Eu1—Eu2ⁱ	4.0983 (12)	Eu6—S13	3.167 (3)
Eu1—Eu5ⁱⁱ	4.1297 (11)	Eu6—S16^vi	3.197 (3)
Eu1—Eu2	4.1394 (12)	Eu6—Eu2^ix	4.1127 (11)
Eu1—Eu4ⁱ	4.1683 (11)	Eu6—Eu3^vi	4.1587 (11)
Eu2—S11^iv	2.944 (3)	Sb1—S1	2.449 (2)
Eu2—S4	2.962 (3)	Sb1—S2	2.507 (3)
Eu2—S5	2.981 (2)	Sb1—S12ⁱⁱ	2.664 (3)
Eu2—S14^iv	2.982 (3)	Sb2—S3	2.426 (3)
Eu2—S1	3.008 (3)	Sb2—S4	2.464 (2)
Eu2—S3	3.010 (3)	Sb2—S2	2.598 (3)
Eu2—S12^v	3.209 (3)	Sb3—S6	2.431 (3)
Eu2—Eu1^vi	4.0983 (12)	Sb3—S5	2.471 (2)
Eu2—Eu6^iv	4.1127 (11)	Sb3—S7	2.587 (3)
Eu2—Eu3	4.1743 (11)	Sb4—S8	2.416 (2)
Eu3—S9ⁱ	2.968 (2)	Sb4—S7	2.537 (3)
Eu3—S5	3.005 (3)	Sb4—S10	2.644 (3)
Eu3—S4	3.015 (3)	Sb5—S11	2.436 (3)
Eu3—S6	3.023 (3)	Sb5—S9	2.440 (2)
Eu3—S8	3.024 (2)	Sb5—S10	2.534 (3)
Eu3—S17	3.051 (3)	Sb6—S13	2.434 (3)
Eu3—S15^v	3.132 (3)	Sb6—S14	2.445 (2)
Eu3—S16	3.235 (3)	Sb6—S12	2.520 (3)
Eu3—Eu4	4.0614 (12)	S1—Eu6^iv	2.988 (3)
Eu3—Eu6ⁱ	4.1587 (11)	S1—Eu5ⁱⁱ	3.039 (3)
Eu3—Eu4ⁱ	4.1753 (12)	S4—Eu4ⁱ	3.005 (3)
Eu4—S4^vi	3.005 (3)	S5—Eu1^vi	2.984 (3)
Eu4—S5	3.009 (2)	S8—Eu6ⁱ	3.046 (2)
Eu4—S8	3.010 (2)	S9—Eu3^vi	2.968 (2)
Eu4—S9	3.044 (2)	S10—Eu1^viii	3.028 (3)
Eu4—S15^vii	3.066 (3)	S11—Eu2^ix	2.944 (3)
Eu4—S7	3.077 (3)	S12—Sb1^viii	2.664 (3)
Eu4—S17	3.098 (3)	S12—Eu2^vii	3.209 (3)
Eu4—S16^vii	3.157 (3)	S13—Eu1^x	3.081 (3)
Eu4—S13^v	3.382 (3)	S13—Eu4^vii	3.382 (3)
Eu4—Eu5	4.1417 (11)	S14—Eu2^ix	2.982 (3)
Eu4—Eu1^vi	4.1683 (11)	S14—Eu1^viii	3.009 (3)
Eu5—S8	2.980 (2)	S15—S16	2.091 (3)
Eu5—S14	2.984 (3)	S15—Eu4^v	3.066 (3)
Eu5—S17^vii	3.027 (2)	S15—Eu6ⁱ	3.095 (2)
Eu5—S1^viii	3.039 (3)	S15—Eu3^vii	3.132 (3)
Eu5—S10	3.073 (3)	S16—S17	2.092 (3)
Eu5—S9	3.082 (2)	S16—Eu4^v	3.157 (3)
Eu5—S15	3.110 (3)	S16—Eu6ⁱ	3.197 (3)
Eu5—S12	3.168 (3)	S16—Eu5^v	3.208 (2)
Eu5—S16^vii	3.208 (2)	S17—Eu5^v	3.027 (2)
Eu5—Eu6	4.0621 (12)	S17—Eu6^v	3.101 (3)
Eu5—Eu1^viii	4.1296 (11)

S5ⁱ—Eu1—S4	87.04 (7)	S14—Eu5—S15	139.89 (6)
S5ⁱ—Eu1—S1	151.29 (6)	S17^vii—Eu5—S15	83.30 (7)
S4—Eu1—S1	87.15 (7)	S1^viii—Eu5—S15	81.07 (7)
S5ⁱ—Eu1—S14ⁱⁱ	86.32 (7)	S10—Eu5—S15	137.74 (7)
S4—Eu1—S14ⁱⁱ	152.88 (6)	S9—Eu5—S15	125.62 (6)
S1—Eu1—S14ⁱⁱ	86.16 (7)	S8—Eu5—S12	132.82 (7)
S5ⁱ—Eu1—S10ⁱⁱ	127.83 (7)	S14—Eu5—S12	72.28 (6)
S4—Eu1—S10ⁱⁱ	130.57 (7)	S17^vii—Eu5—S12	69.58 (6)
S1—Eu1—S10ⁱⁱ	75.62 (7)	S1^viii—Eu5—S12	72.36 (6)
S14ⁱⁱ—Eu1—S10ⁱⁱ	72.66 (7)	S10—Eu5—S12	132.47 (9)
S5ⁱ—Eu1—S2	79.41 (7)	S9—Eu5—S12	136.05 (7)
S4—Eu1—S2	74.95 (7)	S15—Eu5—S12	67.63 (6)
S1—Eu1—S2	71.93 (7)	S8—Eu5—S16^vii	84.84 (6)
S14ⁱⁱ—Eu1—S2	77.99 (6)	S14—Eu5—S16^vii	120.00 (7)
S10ⁱⁱ—Eu1—S2	137.19 (8)	S17^vii—Eu5—S16^vii	39.08 (6)
S5ⁱ—Eu1—S13ⁱⁱⁱ	72.62 (7)	S1^viii—Eu5—S16^vii	147.50 (6)
S4—Eu1—S13ⁱⁱⁱ	78.84 (7)	S10—Eu5—S16^vii	129.37 (8)
S1—Eu1—S13ⁱⁱⁱ	133.35 (7)	S9—Eu5—S16^vii	63.40 (6)
S14ⁱⁱ—Eu1—S13ⁱⁱⁱ	123.72 (7)	S15—Eu5—S16^vii	66.48 (6)
S10ⁱⁱ—Eu1—S13ⁱⁱⁱ	80.47 (8)	S12—Eu5—S16^vii	95.83 (7)
S2—Eu1—S13ⁱⁱⁱ	142.33 (8)	S8—Eu5—Eu6	133.88 (5)
S5ⁱ—Eu1—Eu2ⁱ	46.57 (5)	S14—Eu5—Eu6	47.75 (5)
S4—Eu1—Eu2ⁱ	133.59 (5)	S17^vii—Eu5—Eu6	49.27 (5)
S1—Eu1—Eu2ⁱ	132.73 (5)	S1^viii—Eu5—Eu6	133.66 (5)
S14ⁱⁱ—Eu1—Eu2ⁱ	46.57 (5)	S10—Eu5—Eu6	88.28 (5)
S10ⁱⁱ—Eu1—Eu2ⁱ	88.00 (5)	S9—Eu5—Eu6	47.90 (5)
S2—Eu1—Eu2ⁱ	93.94 (5)	S15—Eu5—Eu6	132.55 (5)
S13ⁱⁱⁱ—Eu1—Eu2ⁱ	84.90 (5)	S12—Eu5—Eu6	90.78 (5)
S5ⁱ—Eu1—Eu5ⁱⁱ	132.50 (5)	S16^vii—Eu5—Eu6	74.93 (4)
S4—Eu1—Eu5ⁱⁱ	134.37 (5)	S8—Eu5—Eu1^viii	104.87 (4)
S1—Eu1—Eu5ⁱⁱ	47.25 (5)	S14—Eu5—Eu1^viii	46.69 (5)
S14ⁱⁱ—Eu1—Eu5ⁱⁱ	46.19 (5)	S17^vii—Eu5—Eu1^viii	130.16 (4)
S10ⁱⁱ—Eu1—Eu5ⁱⁱ	47.86 (6)	S1^viii—Eu5—Eu1^viii	46.47 (5)
S2—Eu1—Eu5ⁱⁱ	89.37 (6)	S10—Eu5—Eu1^viii	46.94 (6)
S13ⁱⁱⁱ—Eu1—Eu5ⁱⁱ	128.19 (6)	S9—Eu5—Eu1^viii	105.85 (4)
Eu2ⁱ—Eu1—Eu5ⁱⁱ	89.191 (17)	S15—Eu5—Eu1^viii	126.79 (4)
S5ⁱ—Eu1—Eu2	132.56 (5)	S12—Eu5—Eu1^viii	85.56 (5)
S4—Eu1—Eu2	45.67 (5)	S16^vii—Eu5—Eu1^viii	165.44 (4)
S1—Eu1—Eu2	46.53 (5)	Eu6—Eu5—Eu1^viii	90.568 (17)
S14ⁱⁱ—Eu1—Eu2	132.63 (5)	S8—Eu5—Eu4	46.56 (4)
S10ⁱⁱ—Eu1—Eu2	93.80 (5)	S14—Eu5—Eu4	131.98 (5)
S2—Eu1—Eu2	83.68 (5)	S17^vii—Eu5—Eu4	83.63 (4)
S13ⁱⁱⁱ—Eu1—Eu2	96.93 (5)	S1^viii—Eu5—Eu4	128.53 (5)
Eu2ⁱ—Eu1—Eu2	177.62 (3)	S10—Eu5—Eu4	85.06 (6)
Eu5ⁱⁱ—Eu1—Eu2	90.863 (17)	S9—Eu5—Eu4	47.07 (4)
S5ⁱ—Eu1—Eu4ⁱ	46.17 (5)	S15—Eu5—Eu4	83.99 (4)
S4—Eu1—Eu4ⁱ	46.10 (5)	S12—Eu5—Eu4	142.47 (5)
S1—Eu1—Eu4ⁱ	133.12 (5)	S16^vii—Eu5—Eu4	48.88 (5)
S14ⁱⁱ—Eu1—Eu4ⁱ	132.45 (5)	Eu6—Eu5—Eu4	91.034 (17)
S10ⁱⁱ—Eu1—Eu4ⁱ	133.49 (6)	Eu1^viii—Eu5—Eu4	131.89 (2)
S2—Eu1—Eu4ⁱ	89.31 (6)	S1^ix—Eu6—S14	86.97 (7)
S13ⁱⁱⁱ—Eu1—Eu4ⁱ	53.08 (6)	S1^ix—Eu6—S9	143.57 (6)
Eu2ⁱ—Eu1—Eu4ⁱ	89.877 (16)	S14—Eu6—S9	85.35 (7)
Eu5ⁱⁱ—Eu1—Eu4ⁱ	178.329 (19)	S1^ix—Eu6—S8^vi	81.89 (7)
Eu2—Eu1—Eu4ⁱ	90.010 (16)	S14—Eu6—S8^vi	146.04 (6)
S11^iv—Eu2—S4	126.82 (7)	S9—Eu6—S8^vi	84.90 (7)
S11^iv—Eu2—S5	127.81 (7)	S1^ix—Eu6—S11	72.10 (7)
S4—Eu2—S5	88.03 (7)	S14—Eu6—S11	71.41 (7)
S11^iv—Eu2—S14^iv	73.56 (7)	S9—Eu6—S11	71.69 (7)
S4—Eu2—S14^iv	156.03 (6)	S8^vi—Eu6—S11	74.64 (7)
S5—Eu2—S14^iv	86.85 (7)	S1^ix—Eu6—S15^vi	82.11 (7)
S11^iv—Eu2—S1	73.50 (7)	S14—Eu6—S15^vi	140.87 (6)
S4—Eu2—S1	87.46 (7)	S9—Eu6—S15^vi	124.00 (6)
S5—Eu2—S1	154.68 (6)	S8^vi—Eu6—S15^vi	69.06 (6)
S14^iv—Eu2—S1	87.24 (7)	S11—Eu6—S15^vi	137.85 (7)
S11^iv—Eu2—S3	141.13 (8)	S1^ix—Eu6—S17^vii	143.02 (6)
S4—Eu2—S3	75.38 (7)	S14—Eu6—S17^vii	82.28 (7)
S5—Eu2—S3	78.03 (7)	S9—Eu6—S17^vii	70.68 (6)
S14^iv—Eu2—S3	80.65 (7)	S8^vi—Eu6—S17^vii	124.33 (6)
S1—Eu2—S3	76.72 (7)	S11—Eu6—S17^vii	135.28 (7)
S11^iv—Eu2—S12^v	74.26 (8)	S15^vi—Eu6—S17^vii	84.29 (7)
S4—Eu2—S12^v	76.25 (7)	S1^ix—Eu6—S13	80.73 (7)
S5—Eu2—S12^v	79.75 (6)	S14—Eu6—S13	71.69 (6)
S14^iv—Eu2—S12^v	125.60 (7)	S9—Eu6—S13	129.54 (7)
S1—Eu2—S12^v	123.09 (7)	S8^vi—Eu6—S13	136.75 (7)
S3—Eu2—S12^v	144.28 (8)	S11—Eu6—S13	134.76 (9)
S11^iv—Eu2—Eu1^vi	88.43 (5)	S15^vi—Eu6—S13	69.51 (6)
S4—Eu2—Eu1^vi	134.50 (5)	S17^vii—Eu6—S13	62.30 (6)
S5—Eu2—Eu1^vi	46.62 (5)	S1^ix—Eu6—S16^vi	117.51 (7)
S14^iv—Eu2—Eu1^vi	47.10 (5)	S14—Eu6—S16^vi	148.16 (6)
S1—Eu2—Eu1^vi	134.27 (5)	S9—Eu6—S16^vi	85.30 (6)
S3—Eu2—Eu1^vi	94.95 (5)	S8^vi—Eu6—S16^vi	62.79 (6)
S12^v—Eu2—Eu1^vi	89.68 (5)	S11—Eu6—S16^vi	133.09 (8)
S11^iv—Eu2—Eu6^iv	48.01 (6)	S15^vi—Eu6—S16^vi	38.78 (6)
S4—Eu2—Eu6^iv	133.86 (5)	S17^vii—Eu6—S16^vi	65.91 (6)
S5—Eu2—Eu6^iv	133.90 (5)	S13—Eu6—S16^vi	91.41 (7)
S14^iv—Eu2—Eu6^iv	47.08 (5)	S1^ix—Eu6—Eu5	134.01 (5)
S1—Eu2—Eu6^iv	46.49 (5)	S14—Eu6—Eu5	47.05 (5)
S3—Eu2—Eu6^iv	93.20 (6)	S9—Eu6—Eu5	48.89 (5)
S12^v—Eu2—Eu6^iv	122.23 (5)	S8^vi—Eu6—Eu5	133.79 (5)
Eu1^vi—Eu2—Eu6^iv	90.299 (17)	S11—Eu6—Eu5	88.91 (5)
S11^iv—Eu2—Eu1	89.73 (5)	S15^vi—Eu6—Eu5	131.99 (5)
S4—Eu2—Eu1	46.15 (5)	S17^vii—Eu6—Eu5	47.71 (5)
S5—Eu2—Eu1	134.17 (5)	S13—Eu6—Eu5	84.67 (5)
S14^iv—Eu2—Eu1	133.62 (5)	S16^vi—Eu6—Eu5	106.17 (4)
S1—Eu2—Eu1	46.38 (5)	S1^ix—Eu6—Eu2^ix	46.90 (5)
S3—Eu2—Eu1	87.44 (5)	S14—Eu6—Eu2^ix	46.37 (5)
S12^v—Eu2—Eu1	88.35 (5)	S9—Eu6—Eu2^ix	106.32 (4)
Eu1^vi—Eu2—Eu1	177.62 (3)	S8^vi—Eu6—Eu2^ix	106.38 (4)
Eu6^iv—Eu2—Eu1	89.609 (17)	S11—Eu6—Eu2^ix	45.59 (6)
S11^iv—Eu2—Eu3	131.98 (6)	S15^vi—Eu6—Eu2^ix	127.96 (4)
S4—Eu2—Eu3	46.23 (5)	S17^vii—Eu6—Eu2^ix	128.01 (4)
S5—Eu2—Eu3	46.02 (5)	S13—Eu6—Eu2^ix	89.58 (6)
S14^iv—Eu2—Eu3	132.84 (5)	S16^vi—Eu6—Eu2^ix	163.90 (4)
S1—Eu2—Eu3	133.60 (5)	Eu5—Eu6—Eu2^ix	89.927 (17)
S3—Eu2—Eu3	86.82 (6)	S1^ix—Eu6—Eu3^vi	128.12 (5)
S12^v—Eu2—Eu3	57.75 (5)	S14—Eu6—Eu3^vi	130.68 (5)
Eu1^vi—Eu2—Eu3	89.613 (17)	S9—Eu6—Eu3^vi	45.49 (5)
Eu6^iv—Eu2—Eu3	179.911 (18)	S8^vi—Eu6—Eu3^vi	46.54 (4)
Eu1—Eu2—Eu3	90.479 (16)	S11—Eu6—Eu3^vi	86.61 (6)
S9ⁱ—Eu3—S5	151.52 (6)	S15^vi—Eu6—Eu3^vi	83.78 (4)
S9ⁱ—Eu3—S4	86.70 (7)	S17^vii—Eu6—Eu3^vi	83.97 (4)
S5—Eu3—S4	86.62 (7)	S13—Eu6—Eu3^vi	138.03 (6)
S9ⁱ—Eu3—S6	77.96 (7)	S16^vi—Eu6—Eu3^vi	50.11 (5)
S5—Eu3—S6	73.63 (7)	Eu5—Eu6—Eu3^vi	90.525 (17)
S4—Eu3—S6	80.49 (7)	Eu2^ix—Eu6—Eu3^vi	132.17 (2)
S9ⁱ—Eu3—S8	86.46 (7)	S1—Sb1—S2	91.74 (9)
S5—Eu3—S8	88.46 (7)	S1—Sb1—S12ⁱⁱ	91.51 (9)
S4—Eu3—S8	155.89 (6)	S2—Sb1—S12ⁱⁱ	96.50 (9)
S6—Eu3—S8	75.48 (7)	S3—Sb2—S4	96.62 (9)
S9ⁱ—Eu3—S17	124.48 (6)	S3—Sb2—S2	93.86 (8)
S5—Eu3—S17	79.45 (6)	S4—Sb2—S2	93.15 (9)
S4—Eu3—S17	131.65 (6)	S6—Sb3—S5	94.92 (10)
S6—Eu3—S17	136.48 (7)	S6—Sb3—S7	94.70 (7)
S8—Eu3—S17	70.18 (6)	S5—Sb3—S7	92.21 (9)
S9ⁱ—Eu3—S15^v	70.41 (6)	S8—Sb4—S7	92.32 (9)
S5—Eu3—S15^v	133.50 (6)	S8—Sb4—S10	90.92 (9)
S4—Eu3—S15^v	74.28 (6)	S7—Sb4—S10	95.27 (9)
S6—Eu3—S15^v	140.20 (7)	S11—Sb5—S9	94.14 (9)
S8—Eu3—S15^v	124.50 (6)	S11—Sb5—S10	103.87 (8)
S17—Eu3—S15^v	82.54 (7)	S9—Sb5—S10	90.28 (10)
S9ⁱ—Eu3—S16	85.74 (6)	S13—Sb6—S14	95.92 (9)
S5—Eu3—S16	116.40 (6)	S13—Sb6—S12	100.90 (9)
S4—Eu3—S16	139.72 (6)	S14—Sb6—S12	94.00 (9)
S6—Eu3—S16	135.75 (7)	Sb1—S1—Eu6^iv	108.34 (8)
S8—Eu3—S16	62.56 (6)	Sb1—S1—Eu1	99.29 (8)
S17—Eu3—S16	38.75 (6)	Eu6^iv—S1—Eu1	152.37 (8)
S15^v—Eu3—S16	65.90 (6)	Sb1—S1—Eu2	103.94 (8)
S9ⁱ—Eu3—Eu4	134.00 (5)	Eu6^iv—S1—Eu2	86.61 (8)
S5—Eu3—Eu4	47.56 (5)	Eu1—S1—Eu2	87.09 (6)
S4—Eu3—Eu4	134.07 (5)	Sb1—S1—Eu5ⁱⁱ	102.00 (8)
S6—Eu3—Eu4	87.81 (5)	Eu6^iv—S1—Eu5ⁱⁱ	87.67 (6)
S8—Eu3—Eu4	47.55 (5)	Eu1—S1—Eu5ⁱⁱ	86.28 (8)
S17—Eu3—Eu4	49.16 (5)	Eu2—S1—Eu5ⁱⁱ	153.93 (8)
S15^v—Eu3—Eu4	131.69 (5)	Sb1—S2—Sb2	94.47 (9)
S16—Eu3—Eu4	74.56 (4)	Sb1—S2—Eu1	96.54 (9)
S9ⁱ—Eu3—Eu6ⁱ	46.82 (5)	Sb2—S2—Eu1	93.62 (9)
S5—Eu3—Eu6ⁱ	135.43 (5)	Sb2—S3—Eu2	93.73 (9)
S4—Eu3—Eu6ⁱ	133.27 (5)	Sb2—S4—Eu2	94.12 (8)
S6—Eu3—Eu6ⁱ	91.94 (6)	Sb2—S4—Eu1	98.21 (8)
S8—Eu3—Eu6ⁱ	46.98 (5)	Eu2—S4—Eu1	88.18 (5)
S17—Eu3—Eu6ⁱ	83.81 (4)	Sb2—S4—Eu4ⁱ	106.09 (8)
S15^v—Eu3—Eu6ⁱ	83.81 (4)	Eu2—S4—Eu4ⁱ	159.78 (8)
S16—Eu3—Eu6ⁱ	49.33 (4)	Eu1—S4—Eu4ⁱ	88.16 (8)
Eu4—Eu3—Eu6ⁱ	91.052 (17)	Sb2—S4—Eu3	102.54 (8)
S9ⁱ—Eu3—Eu2	131.58 (5)	Eu2—S4—Eu3	88.57 (8)
S5—Eu3—Eu2	45.54 (5)	Eu1—S4—Eu3	159.18 (8)
S4—Eu3—Eu2	45.19 (5)	Eu4ⁱ—S4—Eu3	87.81 (5)
S6—Eu3—Eu2	87.16 (6)	Sb3—S5—Eu2	106.30 (8)
S8—Eu3—Eu2	133.96 (5)	Sb3—S5—Eu1^vi	110.89 (9)
S17—Eu3—Eu2	97.80 (4)	Eu2—S5—Eu1^vi	86.81 (5)
S15^v—Eu3—Eu2	95.99 (4)	Sb3—S5—Eu3	95.38 (7)
S16—Eu3—Eu2	132.05 (5)	Eu2—S5—Eu3	88.44 (8)
Eu4—Eu3—Eu2	90.302 (17)	Eu1^vi—S5—Eu3	153.59 (8)
Eu6ⁱ—Eu3—Eu2	178.347 (18)	Sb3—S5—Eu4	99.04 (7)
S9ⁱ—Eu3—Eu4ⁱ	46.77 (5)	Eu2—S5—Eu4	154.30 (8)
S5—Eu3—Eu4ⁱ	132.59 (5)	Eu1^vi—S5—Eu4	88.15 (8)
S4—Eu3—Eu4ⁱ	45.99 (5)	Eu3—S5—Eu4	84.96 (5)
S6—Eu3—Eu4ⁱ	93.55 (5)	Sb3—S6—Eu3	95.77 (9)
S8—Eu3—Eu4ⁱ	133.17 (5)	Sb4—S7—Sb3	94.66 (9)
S17—Eu3—Eu4ⁱ	129.52 (5)	Sb4—S7—Eu4	95.42 (9)
S15^v—Eu3—Eu4ⁱ	46.99 (5)	Sb3—S7—Eu4	94.82 (9)
S16—Eu3—Eu4ⁱ	104.63 (4)	Sb4—S8—Eu5	101.65 (8)
Eu4—Eu3—Eu4ⁱ	178.60 (3)	Sb4—S8—Eu4	99.82 (8)
Eu6ⁱ—Eu3—Eu4ⁱ	89.231 (17)	Eu5—S8—Eu4	87.48 (7)
Eu2—Eu3—Eu4ⁱ	89.438 (16)	Sb4—S8—Eu3	106.17 (8)
S4^vi—Eu4—S5	86.25 (7)	Eu5—S8—Eu3	151.97 (8)
S4^vi—Eu4—S8	153.84 (6)	Eu4—S8—Eu3	84.60 (5)
S5—Eu4—S8	88.65 (7)	Sb4—S8—Eu6ⁱ	108.96 (8)
S4^vi—Eu4—S9	85.53 (7)	Eu5—S8—Eu6ⁱ	87.67 (5)
S5—Eu4—S9	149.94 (6)	Eu4—S8—Eu6ⁱ	151.20 (8)
S8—Eu4—S9	86.15 (7)	Eu3—S8—Eu6ⁱ	86.48 (7)
S4^vi—Eu4—S15^vii	75.39 (6)	Sb5—S9—Eu3^vi	110.09 (9)
S5—Eu4—S15^vii	134.62 (6)	Sb5—S9—Eu6	97.00 (7)
S8—Eu4—S15^vii	124.44 (6)	Eu3^vi—S9—Eu6	87.69 (7)
S9—Eu4—S15^vii	70.33 (6)	Sb5—S9—Eu4	113.59 (9)
S4^vi—Eu4—S7	82.04 (7)	Eu3^vi—S9—Eu4	87.96 (5)
S5—Eu4—S7	73.61 (7)	Eu6—S9—Eu4	148.67 (8)
S8—Eu4—S7	71.91 (7)	Sb5—S9—Eu5	99.71 (7)
S9—Eu4—S7	76.64 (7)	Eu3^vi—S9—Eu5	149.68 (8)
S15^vii—Eu4—S7	141.00 (7)	Eu6—S9—Eu5	83.21 (5)
S4^vi—Eu4—S17	133.78 (6)	Eu4—S9—Eu5	85.07 (7)
S5—Eu4—S17	78.65 (6)	Sb5—S10—Sb4	101.57 (11)
S8—Eu4—S17	69.73 (6)	Sb5—S10—Eu1^viii	127.69 (10)
S9—Eu4—S17	126.42 (6)	Sb4—S10—Eu1^viii	130.42 (10)
S15^vii—Eu4—S17	84.84 (7)	Sb5—S10—Eu5	97.87 (10)
S7—Eu4—S17	132.58 (7)	Sb4—S10—Eu5	94.22 (9)
S4^vi—Eu4—S16^vii	113.09 (6)	Eu1^viii—S10—Eu5	85.20 (8)
S5—Eu4—S16^vii	144.51 (6)	Sb5—S11—Eu2^ix	131.54 (11)
S8—Eu4—S16^vii	85.24 (6)	Sb5—S11—Eu6	96.37 (9)
S9—Eu4—S16^vii	64.42 (6)	Eu2^ix—S11—Eu6	86.41 (8)
S15^vii—Eu4—S16^vii	39.23 (6)	Sb6—S12—Sb1^viii	99.35 (10)
S7—Eu4—S16^vii	135.95 (7)	Sb6—S12—Eu5	92.62 (8)
S17—Eu4—S16^vii	66.43 (6)	Sb1^viii—S12—Eu5	94.04 (8)
S4^vi—Eu4—S13^v	73.94 (6)	Sb6—S12—Eu2^vii	98.38 (9)
S5—Eu4—S13^v	68.10 (6)	Sb1^viii—S12—Eu2^vii	102.77 (8)
S8—Eu4—S13^v	127.28 (6)	Eu5—S12—Eu2^vii	158.05 (10)
S9—Eu4—S13^v	136.00 (6)	Sb6—S13—Eu1^x	102.00 (9)
S15^vii—Eu4—S13^v	67.03 (6)	Sb6—S13—Eu6	94.36 (9)
S7—Eu4—S13^v	135.57 (8)	Eu1^x—S13—Eu6	163.64 (10)
S17—Eu4—S13^v	59.86 (6)	Sb6—S13—Eu4^vii	139.56 (11)
S16^vii—Eu4—S13^v	88.24 (7)	Eu1^x—S13—Eu4^vii	80.18 (7)
S4^vi—Eu4—Eu3	133.71 (5)	Eu6—S13—Eu4^vii	87.30 (7)
S5—Eu4—Eu3	47.48 (5)	Sb6—S14—Eu2^ix	109.78 (9)
S8—Eu4—Eu3	47.85 (5)	Sb6—S14—Eu5	98.83 (8)
S9—Eu4—Eu3	133.94 (5)	Eu2^ix—S14—Eu5	151.05 (7)
S15^vii—Eu4—Eu3	133.00 (5)	Sb6—S14—Eu1^viii	111.81 (9)
S7—Eu4—Eu3	85.23 (5)	Eu2^ix—S14—Eu1^viii	86.33 (5)
S17—Eu4—Eu3	48.17 (5)	Eu5—S14—Eu1^viii	87.12 (8)
S16^vii—Eu4—Eu3	106.89 (4)	Sb6—S14—Eu6	97.96 (8)
S13^v—Eu4—Eu3	85.20 (5)	Eu2^ix—S14—Eu6	86.55 (8)
S4^vi—Eu4—Eu5	133.27 (5)	Eu5—S14—Eu6	85.20 (5)
S5—Eu4—Eu5	134.61 (5)	Eu1^viii—S14—Eu6	150.06 (7)
S8—Eu4—Eu5	45.96 (4)	S16—S15—Eu4^v	72.74 (10)
S9—Eu4—Eu5	47.86 (5)	S16—S15—Eu6ⁱ	73.25 (10)
S15^vii—Eu4—Eu5	84.17 (4)	Eu4^v—S15—Eu6ⁱ	94.45 (8)
S7—Eu4—Eu5	88.87 (6)	S16—S15—Eu5	117.15 (11)
S17—Eu4—Eu5	84.06 (4)	Eu4^v—S15—Eu5	169.03 (7)
S16^vii—Eu4—Eu5	49.94 (4)	Eu6ⁱ—S15—Eu5	84.55 (5)
S13^v—Eu4—Eu5	134.48 (5)	S16—S15—Eu3^vii	116.87 (10)
Eu3—Eu4—Eu5	90.499 (17)	Eu4^v—S15—Eu3^vii	84.69 (5)
S4^vi—Eu4—Eu1^vi	45.74 (5)	Eu6ⁱ—S15—Eu3^vii	168.81 (7)
S5—Eu4—Eu1^vi	45.68 (5)	Eu5—S15—Eu3^vii	94.17 (8)
S8—Eu4—Eu1^vi	134.30 (5)	S15—S16—S17	113.34 (15)
S9—Eu4—Eu1^vi	131.06 (5)	S15—S16—Eu4^v	68.03 (9)
S15^vii—Eu4—Eu1^vi	96.18 (4)	S17—S16—Eu4^v	134.07 (12)
S7—Eu4—Eu1^vi	90.05 (6)	S15—S16—Eu6ⁱ	67.98 (9)
S17—Eu4—Eu1^vi	97.26 (4)	S17—S16—Eu6ⁱ	133.83 (12)
S16^vii—Eu4—Eu1^vi	130.85 (5)	Eu4^v—S16—Eu6ⁱ	90.75 (6)
S13^v—Eu4—Eu1^vi	46.74 (5)	S15—S16—Eu5^v	133.94 (12)
Eu3—Eu4—Eu1^vi	90.204 (16)	S17—S16—Eu5^v	65.79 (9)
Eu5—Eu4—Eu1^vi	178.659 (19)	Eu4^v—S16—Eu5^v	81.18 (6)
S8—Eu5—S14	145.45 (6)	Eu6ⁱ—S16—Eu5^v	148.21 (8)
S8—Eu5—S17^vii	123.92 (6)	S15—S16—Eu3	133.14 (12)
S14—Eu5—S17^vii	84.09 (7)	S17—S16—Eu3	65.88 (9)
S8—Eu5—S1^viii	82.14 (6)	Eu4^v—S16—Eu3	148.49 (8)
S14—Eu5—S1^viii	85.92 (7)	Eu6ⁱ—S16—Eu3	80.56 (6)
S17^vii—Eu5—S1^viii	141.91 (6)	Eu5^v—S16—Eu3	90.39 (6)
S8—Eu5—S10	73.21 (7)	S16—S17—Eu5^v	75.13 (10)
S14—Eu5—S10	72.36 (7)	S16—S17—Eu3	75.37 (10)
S17^vii—Eu5—S10	135.60 (7)	Eu5^v—S17—Eu3	97.53 (8)
S1^viii—Eu5—S10	74.42 (7)	S16—S17—Eu4	117.50 (10)
S8—Eu5—S9	85.99 (7)	Eu5^v—S17—Eu4	166.72 (7)
S14—Eu5—S9	85.09 (7)	Eu3—S17—Eu4	82.67 (5)
S17^vii—Eu5—S9	71.05 (6)	S16—S17—Eu6^v	117.64 (11)
S1^viii—Eu5—S9	144.29 (6)	Eu5^v—S17—Eu6^v	83.02 (5)
S10—Eu5—S9	69.91 (7)	Eu3—S17—Eu6^v	166.41 (7)
S8—Eu5—S15	69.70 (6)	Eu4—S17—Eu6^v	93.70 (8)

Symmetry codes: (i) x−1, y, z; (ii) −x+1/2, −y−1, z+1/2; (iii) x−3/2, −y−3/2, −z; (iv) −x+3/2, −y−1, z+1/2; (v) x−1/2, −y−3/2, −z; (vi) x+1, y, z; (vii) x+1/2, −y−3/2, −z; (viii) −x+1/2, −y−1, z−1/2; (ix) −x+3/2, −y−1, z−1/2; (x) x+3/2, −y−3/2, −z.

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