Barium palladium seleno­stannate per­seleno­stannate diselenide, Ba₈Pd(SnSe₄)_3.75(SnSe₅)_0.25(Se₂)

The quaternary seleno­stannate Ba₈Pd(SnSe₄)_3.75(SnSe₅)_0.25(Se₂) adopts a new structure type composed of SnSe₄ tetrahedra in a distorted cubic close-packing arrangement. Pd₂(Se₂)₂ hexagons containing two Pd atoms and two Se₂ dumb-bells fill one-eighth of the octahedral voids. Two Se atoms from the diselenide groups and the neighbouring SnSe₄ units, respectively, form a distorted square-planar coordi­nation around palladium. Eight or nine Se atoms surround the Ba²⁺ cations. One SnSe₄^4- tetrahedron is substituted statistically by a per­seleno­stannate ion SnSe₅^4- to an extent of approximately 25%.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](Pd-Se) = 0.002 Å
• Disorder in solvent or counterion
• R factor = 0.037
• wR factor = 0.077
• Data-to-parameter ratio = 31.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



GOODF_01  Alert C The least squares goodness of fit parameter lies
          outside the range 0.80 <> 2.00
          Goodness of fit given =      0.672

PLAT_302  Alert C Anion/Solvent Disorder .......................       4.00 Perc.


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check

---

Computing details

Data collection: IPDS Software (Stoe & Cie, 1998); cell refinement: IPDS Software; data reduction: X-RED (Stoe & Cie, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1998).

(I)

Crystal data

Ba16Pd2(SnSe4)7.5(SnSe5)0.5(Se2)2	Z = 2
Mr = 3120.90	F(000) = 2629
Triclinic, P1	Dx = 5.266 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 12.604 (1) Å	Cell parameters from 6409 reflections
b = 12.614 (1) Å	θ = 2.6–27.9°
c = 14.782 (2) Å	µ = 27.66 mm^−1
α = 67.85 (1)°	T = 293 K
β = 66.02 (1)°	Plate, black
γ = 74.08 (1)°	0.07 × 0.03 × 0.01 mm
V = 1968.4 (4) Å^3

Data collection

Stoe IPDS diffractometer	9142 independent reflections
Radiation source: fine-focus sealed tube	4504 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.043
ω scans	θmax = 28.0°, θmin = 2.3°
Absorption correction: gaussian (X-RED; Stoe & Cie, 1996)	h = −16→15
Tmin = 0.19, Tmax = 0.51	k = −16→16
17825 measured reflections	l = −19→19

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.037	Secondary atom site location: difference Fourier map
wR(F^2) = 0.077	w = 1/[σ^2(Fo^2) + (0.0313P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.67	(Δ/σ)max = 0.001
9142 reflections	Δρmax = 1.95 e Å^−3
293 parameters	Δρmin = −2.04 e Å^−3

Special details

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)
Ba1	0.56625 (9)	0.65852 (7)	0.33278 (7)	0.0248 (2)
Ba2	0.63107 (9)	0.84779 (7)	0.53854 (7)	0.0249 (2)
Ba3	0.88823 (9)	0.83289 (7)	0.01984 (7)	0.0238 (2)
Ba4	0.63417 (9)	0.16819 (7)	0.93209 (7)	0.0247 (2)
Ba5	0.69610 (9)	0.33807 (7)	0.14155 (8)	0.0298 (2)
Ba6	0.77979 (9)	0.65420 (7)	0.83618 (8)	0.0296 (2)
Ba7	0.83984 (9)	0.18696 (7)	0.45132 (7)	0.0249 (2)
Ba8	0.00901 (10)	0.64777 (7)	0.34648 (8)	0.0323 (2)
Sn1	0.82346 (9)	0.99218 (7)	0.22898 (8)	0.0205 (2)
Sn2	0.44476 (9)	0.00984 (7)	0.22194 (8)	0.0208 (2)
Sn3	0.89690 (10)	1.49348 (8)	0.19110 (8)	0.0260 (3)
Sn4	0.34600 (10)	0.50652 (8)	0.31241 (9)	0.0311 (3)
Pd	0.91076 (10)	0.00090 (8)	0.68430 (9)	0.0203 (3)
Se1	0.52055 (14)	0.78452 (11)	0.82652 (13)	0.0265 (4)
Se2	0.04001 (15)	0.71461 (11)	0.81495 (12)	0.0266 (4)
Se3	0.77657 (14)	0.78955 (11)	0.29188 (12)	0.0243 (4)
Se4	0.83803 (14)	0.10699 (11)	0.04409 (11)	0.0219 (3)
Se5	0.73942 (14)	0.93611 (11)	0.83525 (11)	0.0215 (3)
Se6	0.58408 (14)	0.89316 (11)	0.10313 (12)	0.0225 (3)
Se7	0.27907 (14)	0.71023 (11)	0.32783 (12)	0.0258 (4)
Se8	0.94033 (15)	0.87896 (12)	0.44307 (12)	0.0288 (4)
Se9	0.42923 (14)	0.89673 (11)	0.40624 (12)	0.0237 (3)
Se10	0.82356 (15)	0.60938 (11)	0.60646 (12)	0.0275 (4)
Se11	0.50426 (15)	0.38905 (12)	0.39072 (14)	0.0320 (4)
Se12	0.68835 (14)	0.10526 (11)	0.35045 (12)	0.0260 (4)
Se13	0.74455 (15)	0.60231 (11)	0.10276 (12)	0.0267 (4)
Se14	0.95262 (14)	0.06809 (11)	0.79929 (11)	0.0230 (3)
Se15	0.84863 (15)	0.88762 (12)	0.61771 (12)	0.0271 (4)
Se16	0.06843 (15)	0.60728 (11)	0.11353 (13)	0.0331 (4)
Se17	0.80972 (16)	0.47508 (12)	0.38315 (13)	0.0299 (4)
Se18	0.5782 (2)	0.46500 (16)	0.88623 (17)	0.0307 (8)	0.751 (5)
Se19	0.4786 (7)	0.5533 (5)	0.1283 (5)	0.0221 (11)	0.249 (5)
Se20	0.2928 (5)	0.5881 (4)	0.1031 (5)	0.0221 (11)	0.25

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.0246 (6)	0.0199 (4)	0.0300 (5)	−0.0052 (4)	−0.0083 (4)	−0.0073 (4)
Ba2	0.0276 (6)	0.0175 (4)	0.0290 (5)	−0.0041 (3)	−0.0104 (4)	−0.0048 (3)
Ba3	0.0241 (6)	0.0172 (4)	0.0274 (5)	−0.0048 (3)	−0.0065 (4)	−0.0051 (3)
Ba4	0.0296 (6)	0.0201 (4)	0.0265 (5)	−0.0059 (4)	−0.0125 (4)	−0.0044 (4)
Ba5	0.0352 (7)	0.0223 (4)	0.0330 (6)	−0.0116 (4)	−0.0091 (5)	−0.0069 (4)
Ba6	0.0350 (7)	0.0185 (4)	0.0346 (6)	0.0020 (4)	−0.0153 (5)	−0.0074 (4)
Ba7	0.0264 (6)	0.0215 (4)	0.0264 (5)	−0.0050 (4)	−0.0093 (4)	−0.0053 (4)
Ba8	0.0369 (7)	0.0192 (4)	0.0425 (6)	−0.0015 (4)	−0.0206 (5)	−0.0051 (4)
Sn1	0.0228 (6)	0.0184 (4)	0.0212 (5)	−0.0050 (4)	−0.0075 (5)	−0.0054 (4)
Sn2	0.0199 (6)	0.0196 (4)	0.0212 (5)	−0.0033 (4)	−0.0059 (5)	−0.0053 (4)
Sn3	0.0291 (7)	0.0162 (4)	0.0275 (6)	−0.0018 (4)	−0.0073 (5)	−0.0045 (4)
Sn4	0.0257 (7)	0.0153 (4)	0.0409 (7)	−0.0047 (4)	−0.0026 (5)	−0.0047 (4)
Pd	0.0201 (7)	0.0215 (5)	0.0202 (6)	−0.0075 (4)	−0.0057 (5)	−0.0055 (4)
Se1	0.0229 (10)	0.0208 (7)	0.0356 (9)	−0.0064 (6)	−0.0083 (8)	−0.0079 (6)
Se2	0.0296 (10)	0.0192 (7)	0.0297 (9)	−0.0021 (6)	−0.0089 (7)	−0.0082 (6)
Se3	0.0236 (10)	0.0194 (6)	0.0324 (9)	−0.0059 (6)	−0.0120 (7)	−0.0057 (6)
Se4	0.0235 (10)	0.0212 (6)	0.0209 (8)	−0.0043 (6)	−0.0081 (7)	−0.0050 (6)
Se5	0.0195 (9)	0.0215 (6)	0.0228 (8)	−0.0044 (6)	−0.0066 (7)	−0.0055 (6)
Se6	0.0195 (9)	0.0235 (7)	0.0226 (8)	−0.0021 (6)	−0.0050 (7)	−0.0080 (6)
Se7	0.0288 (10)	0.0173 (6)	0.0283 (9)	−0.0037 (6)	−0.0070 (7)	−0.0063 (6)
Se8	0.0346 (11)	0.0311 (7)	0.0237 (9)	−0.0175 (7)	−0.0036 (8)	−0.0094 (6)
Se9	0.0265 (10)	0.0232 (7)	0.0203 (8)	−0.0059 (6)	−0.0068 (7)	−0.0051 (6)
Se10	0.0343 (10)	0.0177 (6)	0.0303 (9)	−0.0076 (6)	−0.0110 (8)	−0.0043 (6)
Se11	0.0276 (10)	0.0200 (7)	0.0420 (10)	−0.0038 (6)	−0.0078 (8)	−0.0069 (7)
Se12	0.0292 (10)	0.0234 (7)	0.0248 (9)	−0.0067 (6)	−0.0040 (7)	−0.0102 (6)
Se13	0.0323 (10)	0.0175 (6)	0.0291 (9)	−0.0044 (6)	−0.0104 (7)	−0.0053 (6)
Se14	0.0245 (9)	0.0249 (7)	0.0213 (8)	−0.0061 (6)	−0.0069 (7)	−0.0081 (6)
Se15	0.0299 (10)	0.0289 (7)	0.0249 (9)	−0.0144 (6)	−0.0021 (7)	−0.0114 (6)
Se16	0.0351 (11)	0.0168 (7)	0.0344 (10)	−0.0046 (6)	−0.0027 (8)	−0.0035 (6)
Se17	0.0358 (11)	0.0212 (7)	0.0272 (9)	−0.0035 (6)	−0.0074 (8)	−0.0056 (6)
Se18	0.0401 (18)	0.0210 (10)	0.0272 (12)	−0.0072 (9)	−0.0073 (11)	−0.0058 (8)
Se19	0.020 (3)	0.0190 (19)	0.031 (3)	−0.0040 (16)	−0.012 (2)	−0.0071 (17)
Se20	0.020 (3)	0.0190 (19)	0.031 (3)	−0.0040 (16)	−0.012 (2)	−0.0071 (17)

Geometric parameters (Å, º)

Ba1—Se3	3.2360 (18)	Ba8—Ba8^xviii	4.628 (2)
Ba1—Se9	3.3586 (16)	Sn1—Se12^ii	2.5044 (17)
Ba1—Se11	3.4082 (16)	Sn1—Se3	2.5173 (16)
Ba1—Se13	3.4419 (19)	Sn1—Se4^ii	2.5208 (19)
Ba1—Se17	3.462 (2)	Sn1—Se14^xv	2.612 (2)
Ba1—Se7	3.524 (2)	Sn2—Se9^ix	2.5070 (18)
Ba1—Se6	3.5358 (18)	Sn2—Se6^ix	2.5216 (17)
Ba1—Se11^i	3.653 (2)	Sn2—Se1^i	2.5296 (16)
Ba1—Sn4	3.9380 (15)	Sn2—Se5^i	2.6194 (19)
Ba2—Se10	3.4115 (19)	Sn2—Ba4^viii	3.9867 (15)
Ba2—Se12^ii	3.4124 (17)	Sn3—Se17^ii	2.535 (2)
Ba2—Se9^iii	3.4300 (16)	Sn3—Se16^xix	2.549 (2)
Ba2—Se11^i	3.4522 (17)	Sn3—Se2^iii	2.5503 (16)
Ba2—Se15	3.5985 (19)	Sn3—Se13^ii	2.553 (2)
Ba2—Se9	3.5985 (19)	Sn3—Ba6^xiv	3.9121 (16)
Ba2—Se3	3.6114 (19)	Sn3—Ba5^ii	4.0120 (15)
Ba2—Se8	3.6456 (19)	Sn3—Ba3^ii	4.0677 (13)
Ba2—Se12^i	3.648 (2)	Sn4—Se19	2.486 (7)
Ba2—Se1	3.732 (2)	Sn4—Se10^i	2.5400 (19)
Ba2—Ba2^iii	4.4452 (19)	Sn4—Se7	2.5421 (16)
Ba3—Se16^iv	3.349 (2)	Sn4—Se11	2.545 (2)
Ba3—Se4^v	3.4085 (19)	Sn4—Se18^i	2.603 (3)
Ba3—Se13	3.4114 (17)	Pd—Se8^xv	2.4292 (18)
Ba3—Se14^vi	3.4592 (18)	Pd—Se15^ix	2.4342 (17)
Ba3—Se4^ii	3.4689 (15)	Pd—Se14	2.4385 (18)
Ba3—Se6	3.4728 (19)	Pd—Se5^ix	2.4468 (19)
Ba3—Se2^vii	3.4915 (18)	Pd—Ba7^xvi	3.7267 (15)
Ba3—Se3	3.5517 (19)	Se1—Sn2^i	2.5296 (16)
Ba3—Se5^viii	3.5776 (19)	Se1—Ba5^i	3.2847 (18)
Ba3—Sn1	3.9993 (14)	Se1—Ba4^xii	3.4931 (19)
Ba3—Sn3^ix	4.0677 (13)	Se2—Sn3^iii	2.5503 (16)
Ba3—Ba4^vi	4.6513 (14)	Se2—Ba6^xvii	3.434 (2)
Ba4—Se20^i	3.244 (5)	Se2—Ba7^i	3.4392 (19)
Ba4—Se6^i	3.3275 (19)	Se2—Ba5^i	3.482 (2)
Ba4—Se19^i	3.330 (6)	Se2—Ba3^xx	3.4915 (18)
Ba4—Se4^x	3.3681 (19)	Se3—Ba8^iv	3.224 (2)
Ba4—Se7^i	3.3722 (19)	Se4—Sn1^ix	2.5208 (19)
Ba4—Se5^ix	3.4445 (16)	Se4—Ba4^viii	3.3681 (19)
Ba4—Se18	3.464 (2)	Se4—Ba3^v	3.4085 (18)
Ba4—Se6^xi	3.4809 (17)	Se4—Ba3^ix	3.4689 (15)
Ba4—Se1^xii	3.4931 (19)	Se5—Pd^ii	2.4468 (19)
Ba4—Se14	3.7739 (19)	Se5—Sn2^i	2.6194 (19)
Ba4—Sn2^x	3.9867 (15)	Se5—Ba4^ii	3.4445 (16)
Ba4—Ba3^xi	4.6513 (14)	Se5—Ba3^x	3.5776 (19)
Ba5—Se1^i	3.2847 (18)	Se6—Sn2^ii	2.5216 (17)
Ba5—Se19	3.298 (7)	Se6—Ba4^i	3.3275 (19)
Ba5—Se20^xiii	3.330 (6)	Se6—Ba4^vi	3.4809 (17)
Ba5—Se13	3.3471 (15)	Se7—Ba4^i	3.3722 (19)
Ba5—Se12	3.3531 (19)	Se7—Ba7^i	3.5687 (18)
Ba5—Se4	3.4617 (17)	Se8—Se15	2.394 (2)
Ba5—Se2^i	3.482 (2)	Se8—Pd^xv	2.4292 (18)
Ba5—Se11	3.677 (2)	Se8—Ba8^iv	3.4703 (17)
Ba5—Se16^xiii	3.683 (2)	Se8—Ba7^xv	3.475 (2)
Ba5—Se18^i	3.737 (3)	Se8—Ba7^ii	3.7743 (17)
Ba5—Sn3^ix	4.0120 (15)	Se9—Sn2^ii	2.5070 (18)
Ba5—Ba6^viii	4.7174 (15)	Se9—Ba7^i	3.3960 (19)
Ba6—Se20^i	3.128 (5)	Se9—Ba2^iii	3.4300 (16)
Ba6—Se1	3.264 (2)	Se10—Sn4^i	2.5400 (19)
Ba6—Se16^i	3.3071 (18)	Se10—Ba8^i	3.3459 (18)
Ba6—Se2^iv	3.434 (2)	Se10—Ba8^iv	3.519 (2)
Ba6—Se15	3.4358 (19)	Se11—Ba2^i	3.4522 (17)
Ba6—Se5	3.4468 (15)	Se11—Ba1^i	3.653 (2)
Ba6—Se10	3.4510 (19)	Se12—Sn1^ix	2.5044 (18)
Ba6—Se13^x	3.598 (2)	Se12—Ba2^ix	3.4124 (17)
Ba6—Se18	3.628 (3)	Se12—Ba2^i	3.648 (2)
Ba6—Sn3^xiv	3.9121 (16)	Se13—Sn3^ix	2.553 (2)
Ba6—Ba5^x	4.7174 (15)	Se13—Ba6^viii	3.598 (2)
Ba7—Se17	3.3407 (16)	Se14—Sn1^xv	2.6119 (19)
Ba7—Se12	3.3886 (19)	Se14—Ba3^xi	3.4592 (18)
Ba7—Se9^i	3.3960 (19)	Se14—Ba8^i	3.4646 (16)
Ba7—Se2^i	3.4392 (19)	Se15—Pd^ii	2.4342 (17)
Ba7—Se8^xv	3.475 (2)	Se15—Ba7^xv	3.575 (2)
Ba7—Se7^i	3.5687 (18)	Se15—Ba7^ii	3.6480 (18)
Ba7—Se15^xv	3.575 (2)	Se16—Sn3^xxi	2.549 (2)
Ba7—Se15^ix	3.6480 (18)	Se16—Se20	2.716 (6)
Ba7—Pd	3.6639 (16)	Se16—Ba6^i	3.3071 (18)
Ba7—Pd^xvi	3.7267 (15)	Se16—Ba3^xvii	3.349 (2)
Ba7—Se8^ix	3.7743 (17)	Se16—Ba5^xiii	3.683 (2)
Ba8—Se3^xvii	3.224 (2)	Se17—Sn3^ix	2.535 (2)
Ba8—Se10^i	3.3459 (18)	Se17—Ba8^iv	3.5147 (19)
Ba8—Se16	3.420 (2)	Se18—Sn4^i	2.603 (3)
Ba8—Se14^i	3.4646 (16)	Se18—Ba5^i	3.737 (3)
Ba8—Se8^xvii	3.4703 (17)	Se19—Se20	2.416 (10)
Ba8—Se17^xvii	3.5147 (19)	Se19—Ba4^i	3.330 (6)
Ba8—Se10^xvii	3.519 (2)	Se20—Ba6^i	3.128 (5)
Ba8—Se7	3.582 (2)	Se20—Ba4^i	3.244 (5)
Ba8—Sn4	4.0317 (17)	Se20—Ba5^xiii	3.330 (6)
Se3—Ba1—Se9	75.51 (4)	Se7^i—Ba7—Se15^ix	91.05 (4)
Se3—Ba1—Se11	141.32 (5)	Se15^xv—Ba7—Se15^ix	81.88 (4)
Se9—Ba1—Se11	136.74 (5)	Se17—Ba7—Pd	122.02 (4)
Se3—Ba1—Se13	83.96 (5)	Se12—Ba7—Pd	122.55 (4)
Se9—Ba1—Se13	135.75 (4)	Se9^i—Ba7—Pd	83.51 (4)
Se11—Ba1—Se13	81.23 (4)	Se2^i—Ba7—Pd	142.53 (4)
Se3—Ba1—Se17	65.71 (4)	Se8^xv—Ba7—Pd	39.67 (3)
Se9—Ba1—Se17	127.57 (5)	Se7^i—Ba7—Pd	62.56 (3)
Se11—Ba1—Se17	75.92 (4)	Se15^xv—Ba7—Pd	71.06 (4)
Se13—Ba1—Se17	74.48 (4)	Se15^ix—Ba7—Pd	38.89 (3)
Se3—Ba1—Se7	142.31 (4)	Se17—Ba7—Pd^xvi	125.50 (4)
Se9—Ba1—Se7	72.91 (4)	Se12—Ba7—Pd^xvi	82.98 (4)
Se11—Ba1—Se7	76.27 (4)	Se9^i—Ba7—Pd^xvi	122.05 (4)
Se13—Ba1—Se7	104.93 (5)	Se2^i—Ba7—Pd^xvi	61.53 (3)
Se17—Ba1—Se7	151.92 (4)	Se8^xv—Ba7—Pd^xvi	72.00 (4)
Se3—Ba1—Se6	73.28 (4)	Se7^i—Ba7—Pd^xvi	143.87 (4)
Se9—Ba1—Se6	73.11 (4)	Se15^xv—Ba7—Pd^xvi	38.87 (3)
Se11—Ba1—Se6	128.64 (5)	Se15^ix—Ba7—Pd^xvi	69.57 (3)
Se13—Ba1—Se6	63.49 (4)	Pd—Ba7—Pd^xvi	84.83 (3)
Se17—Ba1—Se6	123.24 (5)	Se17—Ba7—Se8^ix	162.15 (5)
Se7—Ba1—Se6	78.25 (4)	Se12—Ba7—Se8^ix	66.97 (4)
Se3—Ba1—Se11^i	86.86 (5)	Se9^i—Ba7—Se8^ix	85.47 (4)
Se9—Ba1—Se11^i	66.74 (4)	Se2^i—Ba7—Se8^ix	90.00 (4)
Se11—Ba1—Se11^i	89.30 (4)	Se8^xv—Ba7—Se8^ix	82.44 (4)
Se13—Ba1—Se11^i	151.29 (5)	Se7^i—Ba7—Se8^ix	128.44 (4)
Se17—Ba1—Se11^i	76.94 (4)	Se15^xv—Ba7—Se8^ix	67.98 (4)
Se7—Ba1—Se11^i	98.94 (5)	Se15^ix—Ba7—Se8^ix	37.58 (4)
Se6—Ba1—Se11^i	138.54 (4)	Pd—Ba7—Se8^ix	69.45 (3)
Se3—Ba1—Sn4	166.50 (5)	Pd^xvi—Ba7—Se8^ix	37.78 (3)
Se9—Ba1—Sn4	111.34 (4)	Se3^xvii—Ba8—Se10^i	146.24 (5)
Se11—Ba1—Sn4	39.72 (4)	Se3^xvii—Ba8—Se16	78.82 (5)
Se13—Ba1—Sn4	83.21 (4)	Se10^i—Ba8—Se16	83.90 (4)
Se17—Ba1—Sn4	114.48 (4)	Se3^xvii—Ba8—Se14^i	69.27 (4)
Se7—Ba1—Sn4	39.35 (3)	Se10^i—Ba8—Se14^i	137.86 (5)
Se6—Ba1—Sn4	97.13 (4)	Se16—Ba8—Se14^i	84.92 (4)
Se11^i—Ba1—Sn4	106.47 (4)	Se3^xvii—Ba8—Se8^xvii	77.14 (4)
Se10—Ba2—Se12^ii	128.87 (5)	Se10^i—Ba8—Se8^xvii	132.45 (5)
Se10—Ba2—Se9^iii	127.69 (5)	Se16—Ba8—Se8^xvii	137.48 (5)
Se12^ii—Ba2—Se9^iii	57.27 (4)	Se14^i—Ba8—Se8^xvii	53.85 (4)
Se10—Ba2—Se11^i	73.56 (4)	Se3^xvii—Ba8—Se17^xvii	65.21 (4)
Se12^ii—Ba2—Se11^i	142.18 (5)	Se10^i—Ba8—Se17^xvii	82.00 (4)
Se9^iii—Ba2—Se11^i	138.73 (5)	Se16—Ba8—Se17^xvii	72.21 (4)
Se10—Ba2—Se15	63.25 (4)	Se14^i—Ba8—Se17^xvii	131.95 (5)
Se12^ii—Ba2—Se15	85.09 (4)	Se8^xvii—Ba8—Se17^xvii	125.72 (5)
Se9^iii—Ba2—Se15	66.44 (4)	Se3^xvii—Ba8—Se10^xvii	84.68 (5)
Se11^i—Ba2—Se15	131.32 (5)	Se10^i—Ba8—Se10^xvii	95.27 (4)
Se10—Ba2—Se9	130.66 (4)	Se16—Ba8—Se10^xvii	147.75 (5)
Se12^ii—Ba2—Se9	77.20 (4)	Se14^i—Ba8—Se10^xvii	114.83 (4)
Se9^iii—Ba2—Se9	101.58 (4)	Se8^xvii—Ba8—Se10^xvii	62.70 (4)
Se11^i—Ba2—Se9	66.43 (4)	Se17^xvii—Ba8—Se10^xvii	75.74 (4)
Se15—Ba2—Se9	162.18 (4)	Se3^xvii—Ba8—Se7	137.54 (4)
Se10—Ba2—Se3	80.63 (4)	Se10^i—Ba8—Se7	74.85 (4)
Se12^ii—Ba2—Se3	72.40 (4)	Se16—Ba8—Se7	104.35 (5)
Se9^iii—Ba2—Se3	129.53 (4)	Se14^i—Ba8—Se7	68.90 (4)
Se11^i—Ba2—Se3	84.39 (4)	Se8^xvii—Ba8—Se7	72.75 (4)
Se15—Ba2—Se3	108.45 (4)	Se17^xvii—Ba8—Se7	156.84 (4)
Se9—Ba2—Se3	68.14 (4)	Se10^xvii—Ba8—Se7	106.52 (5)
Se10—Ba2—Se8	61.93 (4)	Se3^xvii—Ba8—Sn4	161.14 (5)
Se12^ii—Ba2—Se8	68.27 (4)	Se10^i—Ba8—Sn4	38.90 (3)
Se9^iii—Ba2—Se8	87.01 (4)	Se16—Ba8—Sn4	85.10 (4)
Se11^i—Ba2—Se8	131.25 (4)	Se14^i—Ba8—Sn4	99.72 (4)
Se15—Ba2—Se8	38.58 (4)	Se8^xvii—Ba8—Sn4	109.38 (4)
Se9—Ba2—Se8	132.04 (5)	Se17^xvii—Ba8—Sn4	119.01 (4)
Se3—Ba2—Se8	70.29 (4)	Se10^xvii—Ba8—Sn4	114.13 (4)
Se10—Ba2—Se12^i	129.09 (4)	Se7—Ba8—Sn4	38.44 (3)
Se12^ii—Ba2—Se12^i	102.04 (4)	Se3^xvii—Ba8—Ba8^xviii	122.04 (5)
Se9^iii—Ba2—Se12^i	76.32 (4)	Se10^i—Ba8—Ba8^xviii	49.22 (3)
Se11^i—Ba2—Se12^i	64.75 (4)	Se16—Ba8—Ba8^xviii	124.49 (4)
Se15—Ba2—Se12^i	130.04 (4)	Se14^i—Ba8—Ba8^xviii	148.81 (5)
Se9—Ba2—Se12^i	53.80 (4)	Se8^xvii—Ba8—Ba8^xviii	98.00 (4)
Se3—Ba2—Se12^i	120.93 (4)	Se17^xvii—Ba8—Ba8^xviii	73.27 (4)
Se8—Ba2—Se12^i	163.33 (4)	Se10^xvii—Ba8—Ba8^xviii	46.05 (3)
Se10—Ba2—Se1	79.08 (4)	Se7—Ba8—Ba8^xviii	91.56 (4)
Se12^ii—Ba2—Se1	128.68 (4)	Sn4—Ba8—Ba8^xviii	75.41 (3)
Se9^iii—Ba2—Se1	71.57 (4)	Se12^ii—Sn1—Se3	111.52 (6)
Se11^i—Ba2—Se1	80.74 (4)	Se12^ii—Sn1—Se4^ii	110.62 (6)
Se15—Ba2—Se1	70.40 (4)	Se3—Sn1—Se4^ii	116.66 (6)
Se9—Ba2—Se1	119.77 (5)	Se12^ii—Sn1—Se14^xv	123.10 (6)
Se3—Ba2—Se1	157.54 (4)	Se3—Sn1—Se14^xv	95.81 (6)
Se8—Ba2—Se1	107.79 (4)	Se4^ii—Sn1—Se14^xv	98.46 (6)
Se12^i—Ba2—Se1	66.91 (4)	Se12^ii—Sn1—Ba3	151.92 (6)
Se10—Ba2—Ba2^iii	177.71 (5)	Se3—Sn1—Ba3	61.15 (4)
Se12^ii—Ba2—Ba2^iii	53.38 (3)	Se4^ii—Sn1—Ba3	59.23 (4)
Se9^iii—Ba2—Ba2^iii	52.47 (3)	Se14^xv—Sn1—Ba3	84.97 (4)
Se11^i—Ba2—Ba2^iii	104.85 (4)	Se9^ix—Sn2—Se6^ix	109.59 (6)
Se15—Ba2—Ba2^iii	117.53 (4)	Se9^ix—Sn2—Se1^i	112.80 (6)
Se9—Ba2—Ba2^iii	49.10 (3)	Se6^ix—Sn2—Se1^i	116.67 (6)
Se3—Ba2—Ba2^iii	100.93 (4)	Se9^ix—Sn2—Se5^i	120.14 (6)
Se8—Ba2—Ba2^iii	120.13 (4)	Se6^ix—Sn2—Se5^i	100.98 (6)
Se12^i—Ba2—Ba2^iii	48.66 (3)	Se1^i—Sn2—Se5^i	96.03 (6)
Se1—Ba2—Ba2^iii	99.09 (4)	Se9^ix—Sn2—Ba4^viii	150.41 (6)
Se16^iv—Ba3—Se4^v	66.08 (4)	Se6^ix—Sn2—Ba4^viii	59.73 (4)
Se16^iv—Ba3—Se13	76.12 (4)	Se1^i—Sn2—Ba4^viii	59.98 (4)
Se4^v—Ba3—Se13	140.26 (5)	Se5^i—Sn2—Ba4^viii	89.45 (5)
Se16^iv—Ba3—Se14^vi	129.74 (5)	Se17^ii—Sn3—Se16^xix	107.01 (7)
Se4^v—Ba3—Se14^vi	68.95 (4)	Se17^ii—Sn3—Se2^iii	104.53 (6)
Se13—Ba3—Se14^vi	135.84 (5)	Se16^xix—Sn3—Se2^iii	113.12 (6)
Se16^iv—Ba3—Se4^ii	125.44 (5)	Se17^ii—Sn3—Se13^ii	110.40 (7)
Se4^v—Ba3—Se4^ii	76.02 (4)	Se16^xix—Sn3—Se13^ii	109.56 (6)
Se13—Ba3—Se4^ii	139.94 (5)	Se2^iii—Sn3—Se13^ii	111.99 (6)
Se14^vi—Ba3—Se4^ii	60.34 (4)	Se17^ii—Sn3—Ba6^xiv	101.43 (5)
Se16^iv—Ba3—Se6	131.10 (5)	Se16^xix—Sn3—Ba6^xiv	56.99 (4)
Se4^v—Ba3—Se6	153.70 (4)	Se2^iii—Sn3—Ba6^xiv	59.86 (5)
Se13—Ba3—Se6	64.47 (4)	Se13^ii—Sn3—Ba6^xiv	148.11 (6)
Se14^vi—Ba3—Se6	99.06 (4)	Se17^ii—Sn3—Ba5^ii	105.50 (5)
Se4^ii—Ba3—Se6	77.73 (4)	Se16^xix—Sn3—Ba5^ii	147.44 (6)
Se16^iv—Ba3—Se2^vii	76.52 (4)	Se2^iii—Sn3—Ba5^ii	59.20 (5)
Se4^v—Ba3—Se2^vii	80.32 (4)	Se13^ii—Sn3—Ba5^ii	56.15 (4)
Se13—Ba3—Se2^vii	79.40 (4)	Ba6^xiv—Sn3—Ba5^ii	117.51 (3)
Se14^vi—Ba3—Se2^vii	74.94 (4)	Se17^ii—Sn3—Ba3^ii	110.05 (4)
Se4^ii—Ba3—Se2^vii	134.40 (4)	Se16^xix—Sn3—Ba3^ii	55.22 (4)
Se6—Ba3—Se2^vii	120.28 (5)	Se2^iii—Sn3—Ba3^ii	145.40 (5)
Se16^iv—Ba3—Se3	75.36 (4)	Se13^ii—Sn3—Ba3^ii	56.62 (4)
Se4^v—Ba3—Se3	101.22 (4)	Ba6^xiv—Sn3—Ba3^ii	110.63 (3)
Se13—Ba3—Se3	79.83 (4)	Ba5^ii—Sn3—Ba3^ii	111.00 (3)
Se14^vi—Ba3—Se3	135.61 (4)	Se19—Sn4—Se10^i	126.6 (2)
Se4^ii—Ba3—Se3	75.28 (4)	Se19—Sn4—Se7	98.84 (14)
Se6—Ba3—Se3	70.38 (4)	Se10^i—Sn4—Se7	112.03 (6)
Se2^vii—Ba3—Se3	148.26 (4)	Se19—Sn4—Se11	96.26 (19)
Se16^iv—Ba3—Se5^viii	141.96 (4)	Se10^i—Sn4—Se11	107.84 (6)
Se4^v—Ba3—Se5^viii	121.73 (4)	Se7—Sn4—Se11	114.62 (7)
Se13—Ba3—Se5^viii	81.61 (4)	Se19—Sn4—Se18^i	20.90 (17)
Se14^vi—Ba3—Se5^viii	55.93 (4)	Se10^i—Sn4—Se18^i	106.56 (9)
Se4^ii—Ba3—Se5^viii	91.14 (4)	Se7—Sn4—Se18^i	104.71 (7)
Se6—Ba3—Se5^viii	60.09 (4)	Se11—Sn4—Se18^i	110.79 (9)
Se2^vii—Ba3—Se5^viii	69.28 (4)	Se19—Sn4—Ba1	81.11 (19)
Se3—Ba3—Se5^viii	130.39 (5)	Se10^i—Sn4—Ba1	151.85 (6)
Se16^iv—Ba3—Sn1	95.46 (4)	Se7—Sn4—Ba1	61.50 (5)
Se4^v—Ba3—Sn1	80.14 (3)	Se11—Sn4—Ba1	58.85 (4)
Se13—Ba3—Sn1	116.40 (4)	Se18^i—Sn4—Ba1	101.51 (7)
Se14^vi—Ba3—Sn1	97.93 (3)	Se19—Sn4—Ba8	113.30 (18)
Se4^ii—Ba3—Sn1	38.64 (3)	Se10^i—Sn4—Ba8	55.80 (4)
Se6—Ba3—Sn1	78.48 (3)	Se7—Sn4—Ba8	61.15 (5)
Se2^vii—Ba3—Sn1	160.46 (4)	Se11—Sn4—Ba8	150.41 (6)
Se3—Ba3—Sn1	38.37 (3)	Se18^i—Sn4—Ba8	98.14 (8)
Se5^viii—Ba3—Sn1	122.15 (3)	Ba1—Sn4—Ba8	122.31 (3)
Se16^iv—Ba3—Sn3^ix	38.69 (3)	Se8^xv—Pd—Se15^ix	115.47 (7)
Se4^v—Ba3—Sn3^ix	104.77 (4)	Se8^xv—Pd—Se14	80.36 (6)
Se13—Ba3—Sn3^ix	38.68 (3)	Se15^ix—Pd—Se14	162.74 (7)
Se14^vi—Ba3—Sn3^ix	156.94 (4)	Se8^xv—Pd—Se5^ix	160.47 (6)
Se4^ii—Ba3—Sn3^ix	141.42 (4)	Se15^ix—Pd—Se5^ix	80.93 (6)
Se6—Ba3—Sn3^ix	94.81 (4)	Se14—Pd—Se5^ix	85.03 (6)
Se2^vii—Ba3—Sn3^ix	82.16 (3)	Se8^xv—Pd—Ba7	65.98 (5)
Se3—Ba3—Sn3^ix	66.67 (3)	Se15^ix—Pd—Ba7	70.20 (5)
Se5^viii—Ba3—Sn3^ix	118.08 (3)	Se14—Pd—Ba7	125.25 (5)
Sn1—Ba3—Sn3^ix	102.86 (3)	Se5^ix—Pd—Ba7	113.78 (6)
Se16^iv—Ba3—Ba4^vi	170.68 (4)	Se8^xv—Pd—Ba7^xvi	72.17 (5)
Se4^v—Ba3—Ba4^vi	111.25 (3)	Se15^ix—Pd—Ba7^xvi	67.20 (5)
Se13—Ba3—Ba4^vi	108.00 (4)	Se14—Pd—Ba7^xvi	114.63 (6)
Se14^vi—Ba3—Ba4^vi	53.02 (3)	Se5^ix—Pd—Ba7^xvi	126.25 (5)
Se4^ii—Ba3—Ba4^vi	46.23 (3)	Ba7—Pd—Ba7^xvi	95.17 (3)
Se6—Ba3—Ba4^vi	48.09 (3)	Sn2^i—Se1—Ba6	98.02 (6)
Se2^vii—Ba3—Ba4^vi	112.23 (4)	Sn2^i—Se1—Ba5^i	135.37 (7)
Se3—Ba3—Ba4^vi	96.90 (3)	Ba6—Se1—Ba5^i	126.48 (5)
Se5^viii—Ba3—Ba4^vi	47.30 (3)	Sn2^i—Se1—Ba4^xii	81.19 (5)
Sn1—Ba3—Ba4^vi	75.22 (2)	Ba6—Se1—Ba4^xii	105.17 (5)
Sn3^ix—Ba3—Ba4^vi	142.83 (3)	Ba5^i—Se1—Ba4^xii	89.21 (5)
Se20^i—Ba4—Se6^i	131.98 (12)	Sn2^i—Se1—Ba2	82.24 (5)
Se20^i—Ba4—Se19^i	43.10 (18)	Ba6—Se1—Ba2	90.81 (5)
Se6^i—Ba4—Se19^i	89.09 (15)	Ba5^i—Se1—Ba2	92.90 (5)
Se20^i—Ba4—Se4^x	72.70 (11)	Ba4^xii—Se1—Ba2	158.38 (5)
Se6^i—Ba4—Se4^x	153.40 (4)	Sn3^iii—Se2—Ba6^xvii	80.17 (5)
Se19^i—Ba4—Se4^x	113.66 (15)	Sn3^iii—Se2—Ba7^i	89.97 (5)
Se20^i—Ba4—Se7^i	76.21 (11)	Ba6^xvii—Se2—Ba7^i	99.08 (5)
Se6^i—Ba4—Se7^i	83.35 (4)	Sn3^iii—Se2—Ba5^i	81.81 (5)
Se19^i—Ba4—Se7^i	69.47 (12)	Ba6^xvii—Se2—Ba5^i	156.88 (5)
Se4^x—Ba4—Se7^i	116.60 (5)	Ba7^i—Se2—Ba5^i	95.27 (5)
Se20^i—Ba4—Se5^ix	139.95 (12)	Sn3^iii—Se2—Ba3^xx	132.40 (6)
Se6^i—Ba4—Se5^ix	71.69 (4)	Ba6^xvii—Se2—Ba3^xx	89.18 (4)
Se19^i—Ba4—Se5^ix	141.99 (13)	Ba7^i—Se2—Ba3^xx	137.61 (4)
Se4^x—Ba4—Se5^ix	95.23 (4)	Ba5^i—Se2—Ba3^xx	92.36 (5)
Se7^i—Ba4—Se5^ix	75.82 (4)	Sn1—Se3—Ba8^iv	99.46 (6)
Se20^i—Ba4—Se18	27.83 (12)	Sn1—Se3—Ba1	139.25 (7)
Se6^i—Ba4—Se18	104.62 (6)	Ba8^iv—Se3—Ba1	121.24 (5)
Se19^i—Ba4—Se18	15.57 (13)	Sn1—Se3—Ba3	80.48 (5)
Se4^x—Ba4—Se18	98.30 (6)	Ba8^iv—Se3—Ba3	99.04 (5)
Se7^i—Ba4—Se18	73.15 (5)	Ba1—Se3—Ba3	93.95 (5)
Se5^ix—Ba4—Se18	148.96 (5)	Sn1—Se3—Ba2	83.29 (5)
Se20^i—Ba4—Se6^xi	145.26 (12)	Ba8^iv—Se3—Ba2	93.69 (5)
Se6^i—Ba4—Se6^xi	74.44 (5)	Ba1—Se3—Ba2	91.64 (4)
Se19^i—Ba4—Se6^xi	145.22 (13)	Ba3—Se3—Ba2	160.79 (5)
Se4^x—Ba4—Se6^xi	78.96 (4)	Sn1^ix—Se4—Ba4^viii	127.94 (6)
Se7^i—Ba4—Se6^xi	135.93 (4)	Sn1^ix—Se4—Ba3^v	93.49 (6)
Se5^ix—Ba4—Se6^xi	61.31 (4)	Ba4^viii—Se4—Ba3^v	138.53 (5)
Se18—Ba4—Se6^xi	148.94 (5)	Sn1^ix—Se4—Ba5	85.20 (5)
Se20^i—Ba4—Se1^xii	77.49 (11)	Ba4^viii—Se4—Ba5	88.39 (4)
Se6^i—Ba4—Se1^xii	98.54 (5)	Ba3^v—Se4—Ba5	94.16 (4)
Se19^i—Ba4—Se1^xii	76.37 (12)	Sn1^ix—Se4—Ba3^ix	82.14 (4)
Se4^x—Ba4—Se1^xii	75.14 (4)	Ba4^viii—Se4—Ba3^ix	85.72 (4)
Se7^i—Ba4—Se1^xii	145.77 (4)	Ba3^v—Se4—Ba3^ix	103.98 (4)
Se5^ix—Ba4—Se1^xii	137.43 (4)	Ba5—Se4—Ba3^ix	158.40 (5)
Se18—Ba4—Se1^xii	73.33 (5)	Pd^ii—Se5—Sn2^i	109.67 (7)
Se6^xi—Ba4—Se1^xii	76.12 (4)	Pd^ii—Se5—Ba4^ii	102.28 (5)
Se20^i—Ba4—Se14	88.64 (11)	Sn2^i—Se5—Ba4^ii	88.14 (5)
Se6^i—Ba4—Se14	122.65 (4)	Pd^ii—Se5—Ba6	98.75 (5)
Se19^i—Ba4—Se14	121.27 (13)	Sn2^i—Se5—Ba6	91.96 (5)
Se4^x—Ba4—Se14	58.02 (4)	Ba4^ii—Se5—Ba6	157.62 (5)
Se7^i—Ba4—Se14	67.55 (4)	Pd^ii—Se5—Ba3^x	95.39 (6)
Se5^ix—Ba4—Se14	54.20 (4)	Sn2^i—Se5—Ba3^x	154.68 (6)
Se18—Ba4—Se14	111.78 (6)	Ba4^ii—Se5—Ba3^x	82.94 (4)
Se6^xi—Ba4—Se14	93.17 (4)	Ba6—Se5—Ba3^x	87.58 (4)
Se1^xii—Ba4—Se14	133.16 (5)	Sn2^ii—Se6—Ba4^i	92.42 (5)
Se20^i—Ba4—Sn2^x	115.75 (11)	Sn2^ii—Se6—Ba3	130.36 (6)
Se6^i—Ba4—Sn2^x	78.03 (4)	Ba4^i—Se6—Ba3	137.22 (5)
Se19^i—Ba4—Sn2^x	108.60 (12)	Sn2^ii—Se6—Ba4^vi	81.55 (4)
Se4^x—Ba4—Sn2^x	81.55 (4)	Ba4^i—Se6—Ba4^vi	105.56 (5)
Se7^i—Ba4—Sn2^x	161.32 (4)	Ba3—Se6—Ba4^vi	83.96 (4)
Se5^ix—Ba4—Sn2^x	99.28 (3)	Sn2^ii—Se6—Ba1	85.65 (5)
Se18—Ba4—Sn2^x	110.23 (5)	Ba4^i—Se6—Ba1	93.58 (4)
Se6^xi—Ba4—Sn2^x	38.73 (3)	Ba3—Se6—Ba1	90.25 (4)
Se1^xii—Ba4—Sn2^x	38.83 (3)	Ba4^vi—Se6—Ba1	157.31 (5)
Se14—Ba4—Sn2^x	124.45 (4)	Sn4—Se7—Ba4^i	92.59 (5)
Se20^i—Ba4—Ba3^xi	117.44 (11)	Sn4—Se7—Ba1	79.15 (5)
Se6^i—Ba4—Ba3^xi	110.32 (3)	Ba4^i—Se7—Ba1	93.03 (5)
Se19^i—Ba4—Ba3^xi	160.54 (15)	Sn4—Se7—Ba7^i	131.41 (6)
Se4^x—Ba4—Ba3^xi	48.05 (3)	Ba4^i—Se7—Ba7^i	135.85 (4)
Se7^i—Ba4—Ba3^xi	110.28 (4)	Ba1—Se7—Ba7^i	92.21 (4)
Se5^ix—Ba4—Ba3^xi	49.76 (3)	Sn4—Se7—Ba8	80.40 (5)
Se18—Ba4—Ba3^xi	145.05 (6)	Ba4^i—Se7—Ba8	94.37 (5)
Se6^xi—Ba4—Ba3^xi	47.94 (3)	Ba1—Se7—Ba8	158.53 (4)
Se1^xii—Ba4—Ba3^xi	101.13 (4)	Ba7^i—Se7—Ba8	96.41 (5)
Se14—Ba4—Ba3^xi	47.07 (3)	Se15—Se8—Pd^xv	121.49 (7)
Sn2^x—Ba4—Ba3^xi	77.91 (3)	Se15—Se8—Ba8^iv	130.30 (6)
Se1^i—Ba5—Se19	76.03 (14)	Pd^xv—Se8—Ba8^iv	101.95 (6)
Se1^i—Ba5—Se20^xiii	79.31 (10)	Se15—Se8—Ba7^xv	72.42 (6)
Se19—Ba5—Se20^xiii	76.83 (16)	Pd^xv—Se8—Ba7^xv	74.35 (5)
Se1^i—Ba5—Se13	137.98 (5)	Ba8^iv—Se8—Ba7^xv	100.25 (5)
Se19—Ba5—Se13	61.95 (14)	Se15—Se8—Ba2	69.64 (6)
Se20^xiii—Ba5—Se13	90.67 (9)	Pd^xv—Se8—Ba2	144.92 (7)
Se1^i—Ba5—Se12	75.61 (4)	Ba8^iv—Se8—Ba2	89.09 (4)
Se19—Ba5—Se12	124.27 (12)	Ba7^xv—Se8—Ba2	136.81 (5)
Se20^xiii—Ba5—Se12	140.75 (9)	Se15—Se8—Ba7^ii	68.35 (5)
Se13—Ba5—Se12	127.90 (5)	Pd^xv—Se8—Ba7^ii	70.05 (4)
Se1^i—Ba5—Se4	76.62 (4)	Ba8^iv—Se8—Ba7^ii	157.63 (6)
Se19—Ba5—Se4	140.49 (14)	Ba7^xv—Se8—Ba7^ii	97.56 (4)
Se20^xiii—Ba5—Se4	70.49 (10)	Ba2—Se8—Ba7^ii	87.11 (4)
Se13—Ba5—Se4	137.96 (5)	Sn2^ii—Se9—Ba1	89.81 (5)
Se12—Ba5—Se4	74.63 (4)	Sn2^ii—Se9—Ba7^i	111.72 (6)
Se1^i—Ba5—Se2^i	143.84 (4)	Ba1—Se9—Ba7^i	98.34 (4)
Se19—Ba5—Se2^i	136.62 (14)	Sn2^ii—Se9—Ba2^iii	89.09 (5)
Se20^xiii—Ba5—Se2^i	117.62 (11)	Ba1—Se9—Ba2^iii	163.85 (6)
Se13—Ba5—Se2^i	76.53 (4)	Ba7^i—Se9—Ba2^iii	97.03 (5)
Se12—Ba5—Se2^i	71.96 (4)	Sn2^ii—Se9—Ba2	129.37 (6)
Se4—Ba5—Se2^i	79.73 (4)	Ba1—Se9—Ba2	89.89 (4)
Se1^i—Ba5—Se11	83.79 (5)	Ba7^i—Se9—Ba2	118.37 (5)
Se19—Ba5—Se11	64.70 (12)	Ba2^iii—Se9—Ba2	78.42 (4)
Se20^xiii—Ba5—Se11	140.70 (11)	Sn4^i—Se10—Ba8^i	85.30 (5)
Se13—Ba5—Se11	78.66 (4)	Sn4^i—Se10—Ba2	87.37 (6)
Se12—Ba5—Se11	65.35 (4)	Ba8^i—Se10—Ba2	168.97 (6)
Se4—Ba5—Se11	138.69 (4)	Sn4^i—Se10—Ba6	93.40 (6)
Se2^i—Ba5—Se11	96.70 (5)	Ba8^i—Se10—Ba6	95.30 (5)
Se1^i—Ba5—Se16^xiii	117.84 (5)	Ba2—Se10—Ba6	93.36 (4)
Se19—Ba5—Se16^xiii	108.14 (12)	Sn4^i—Se10—Ba8^iv	121.87 (6)
Se20^xiii—Ba5—Se16^xiii	45.22 (11)	Ba8^i—Se10—Ba8^iv	84.73 (4)
Se13—Ba5—Se16^xiii	77.89 (4)	Ba2—Se10—Ba8^iv	92.18 (4)
Se12—Ba5—Se16^xiii	127.48 (5)	Ba6—Se10—Ba8^iv	144.51 (5)
Se4—Ba5—Se16^xiii	61.99 (4)	Sn4—Se11—Ba1	81.43 (5)
Se2^i—Ba5—Se16^xiii	72.45 (5)	Sn4—Se11—Ba2^i	86.42 (6)
Se11—Ba5—Se16^xiii	155.90 (4)	Ba1—Se11—Ba2^i	165.34 (6)
Se1^i—Ba5—Se18^i	63.45 (5)	Sn4—Se11—Ba1^i	117.07 (6)
Se19—Ba5—Se18^i	13.41 (12)	Ba1—Se11—Ba1^i	90.70 (4)
Se20^xiii—Ba5—Se18^i	70.99 (11)	Ba2^i—Se11—Ba1^i	87.55 (4)
Se13—Ba5—Se18^i	74.66 (5)	Sn4—Se11—Ba5	90.65 (6)
Se12—Ba5—Se18^i	121.15 (5)	Ba1—Se11—Ba5	97.10 (5)
Se4—Ba5—Se18^i	128.33 (6)	Ba2^i—Se11—Ba5	91.17 (4)
Se2^i—Ba5—Se18^i	150.03 (5)	Ba1^i—Se11—Ba5	152.08 (6)
Se11—Ba5—Se18^i	69.71 (5)	Sn1^ix—Se12—Ba5	87.82 (5)
Se16^xiii—Ba5—Se18^i	108.94 (5)	Sn1^ix—Se12—Ba7	110.86 (6)
Se1^i—Ba5—Sn3^ix	162.15 (5)	Ba5—Se12—Ba7	98.67 (4)
Se19—Ba5—Sn3^ix	97.66 (14)	Sn1^ix—Se12—Ba2^ix	87.78 (5)
Se20^xiii—Ba5—Sn3^ix	115.93 (10)	Ba5—Se12—Ba2^ix	163.76 (6)
Se13—Ba5—Sn3^ix	39.30 (3)	Ba7—Se12—Ba2^ix	97.51 (5)
Se12—Ba5—Sn3^ix	95.18 (4)	Sn1^ix—Se12—Ba2^i	131.09 (6)
Se4—Ba5—Sn3^ix	116.16 (4)	Ba5—Se12—Ba2^i	93.29 (5)
Se2^i—Ba5—Sn3^ix	38.99 (3)	Ba7—Se12—Ba2^i	117.22 (5)
Se11—Ba5—Sn3^ix	78.45 (4)	Ba2^ix—Se12—Ba2^i	77.96 (4)
Se16^xiii—Ba5—Sn3^ix	79.93 (4)	Sn3^ix—Se13—Ba5	84.55 (5)
Se18^i—Ba5—Sn3^ix	111.05 (5)	Sn3^ix—Se13—Ba3	84.70 (5)
Se1^i—Ba5—Ba6^viii	113.02 (4)	Ba5—Se13—Ba3	160.31 (6)
Se19—Ba5—Ba6^viii	64.77 (11)	Sn3^ix—Se13—Ba1	87.26 (5)
Se20^xiii—Ba5—Ba6^viii	41.42 (8)	Ba5—Se13—Ba1	103.01 (5)
Se13—Ba5—Ba6^viii	49.50 (3)	Ba3—Se13—Ba1	92.90 (4)
Se12—Ba5—Ba6^viii	169.75 (4)	Sn3^ix—Se13—Ba6^viii	126.72 (6)
Se4—Ba5—Ba6^viii	101.39 (4)	Ba5—Se13—Ba6^viii	85.49 (4)
Se2^i—Ba5—Ba6^viii	98.14 (4)	Ba3—Se13—Ba6^viii	87.79 (4)
Se11—Ba5—Ba6^viii	119.77 (3)	Ba1—Se13—Ba6^viii	145.87 (6)
Se16^xiii—Ba5—Ba6^viii	44.27 (3)	Pd—Se14—Sn1^xv	107.54 (6)
Se18^i—Ba5—Ba6^viii	68.82 (4)	Pd—Se14—Ba3^xi	98.59 (5)
Sn3^ix—Ba5—Ba6^viii	77.95 (3)	Sn1^xv—Se14—Ba3^xi	90.73 (5)
Se20^i—Ba6—Se1	91.43 (12)	Pd—Se14—Ba8^i	101.90 (6)
Se20^i—Ba6—Se16^i	49.83 (12)	Sn1^xv—Se14—Ba8^i	91.81 (5)
Se1—Ba6—Se16^i	141.26 (5)	Ba3^xi—Se14—Ba8^i	157.53 (5)
Se20^i—Ba6—Se2^iv	128.05 (12)	Pd—Se14—Ba4	93.89 (6)
Se1—Ba6—Se2^iv	140.37 (4)	Sn1^xv—Se14—Ba4	157.73 (6)
Se16^i—Ba6—Se2^iv	78.26 (5)	Ba3^xi—Se14—Ba4	79.91 (4)
Se20^i—Ba6—Se15	137.49 (12)	Ba8^i—Se14—Ba4	89.55 (4)
Se1—Ba6—Se15	78.18 (5)	Se8—Se15—Pd^ii	122.76 (7)
Se16^i—Ba6—Se15	128.67 (5)	Se8—Se15—Ba6	125.41 (6)
Se2^iv—Ba6—Se15	74.05 (4)	Pd^ii—Se15—Ba6	99.30 (6)
Se20^i—Ba6—Se5	155.93 (12)	Se8—Se15—Ba7^xv	67.92 (6)
Se1—Ba6—Se5	69.49 (4)	Pd^ii—Se15—Ba7^xv	73.92 (5)
Se16^i—Ba6—Se5	146.79 (5)	Ba6—Se15—Ba7^xv	96.44 (5)
Se2^iv—Ba6—Se5	71.48 (4)	Se8—Se15—Ba2	71.77 (6)
Se15—Ba6—Se5	54.80 (4)	Pd^ii—Se15—Ba2	148.72 (7)
Se20^i—Ba6—Se10	73.63 (12)	Ba6—Se15—Ba2	90.40 (4)
Se1—Ba6—Se10	85.36 (5)	Ba7^xv—Se15—Ba2	134.74 (5)
Se16^i—Ba6—Se10	84.01 (4)	Se8—Se15—Ba7^ii	74.07 (5)
Se2^iv—Ba6—Se10	106.95 (5)	Pd^ii—Se15—Ba7^ii	70.91 (4)
Se15—Ba6—Se10	64.58 (4)	Ba6—Se15—Ba7^ii	159.28 (5)
Se5—Ba6—Se10	117.42 (4)	Ba7^xv—Se15—Ba7^ii	98.12 (4)
Se20^i—Ba6—Se13^x	89.54 (12)	Ba2—Se15—Ba7^ii	89.76 (4)
Se1—Ba6—Se13^x	102.44 (5)	Sn3^xxi—Se16—Se20	142.35 (13)
Se16^i—Ba6—Se13^x	79.63 (4)	Sn3^xxi—Se16—Ba6^i	82.74 (5)
Se2^iv—Ba6—Se13^x	77.64 (4)	Se20—Se16—Ba6^i	61.65 (11)
Se15—Ba6—Se13^x	132.86 (4)	Sn3^xxi—Se16—Ba3^xvii	86.09 (6)
Se5—Ba6—Se13^x	80.83 (4)	Se20—Se16—Ba3^xvii	131.51 (12)
Se10—Ba6—Se13^x	161.75 (4)	Ba6^i—Se16—Ba3^xvii	160.75 (6)
Se20^i—Ba6—Se18	26.57 (12)	Sn3^xxi—Se16—Ba8	91.26 (6)
Se1—Ba6—Se18	64.93 (5)	Se20—Se16—Ba8	81.74 (14)
Se16^i—Ba6—Se18	76.37 (5)	Ba6^i—Se16—Ba8	96.60 (5)
Se2^iv—Ba6—Se18	154.62 (5)	Ba3^xvii—Se16—Ba8	99.28 (5)
Se15—Ba6—Se18	123.70 (6)	Sn3^xxi—Se16—Ba5^xiii	131.92 (7)
Se5—Ba6—Se18	132.72 (5)	Se20—Se16—Ba5^xiii	60.48 (13)
Se10—Ba6—Se18	71.19 (5)	Ba6^i—Se16—Ba5^xiii	84.70 (4)
Se13^x—Ba6—Se18	96.94 (5)	Ba3^xvii—Se16—Ba5^xiii	91.23 (5)
Se20^i—Ba6—Sn3^xiv	89.41 (12)	Ba8—Se16—Ba5^xiii	136.31 (6)
Se1—Ba6—Sn3^xiv	172.59 (5)	Sn3^ix—Se17—Ba7	92.49 (5)
Se16^i—Ba6—Sn3^xiv	40.26 (4)	Sn3^ix—Se17—Ba1	87.08 (6)
Se2^iv—Ba6—Sn3^xiv	39.97 (3)	Ba7—Se17—Ba1	124.17 (6)
Se15—Ba6—Sn3^xiv	96.27 (4)	Sn3^ix—Se17—Ba8^iv	89.35 (6)
Se5—Ba6—Sn3^xiv	111.44 (4)	Ba7—Se17—Ba8^iv	128.26 (6)
Se10—Ba6—Sn3^xiv	87.82 (4)	Ba1—Se17—Ba8^iv	107.56 (4)
Se13^x—Ba6—Sn3^xiv	84.92 (4)	Se19^i—Se18—Se20^i	140.1 (5)
Se18—Ba6—Sn3^xiv	115.40 (4)	Se19^i—Se18—Sn4^i	72.4 (4)
Se20^i—Ba6—Ba5^x	44.77 (11)	Se20^i—Se18—Sn4^i	93.8 (2)
Se1—Ba6—Ba5^x	103.43 (4)	Se19^i—Se18—Ba4	74.0 (4)
Se16^i—Ba6—Ba5^x	51.03 (3)	Se20^i—Se18—Ba4	68.54 (18)
Se2^iv—Ba6—Ba5^x	103.58 (4)	Sn4^i—Se18—Ba4	89.46 (6)
Se15—Ba6—Ba5^x	177.45 (4)	Se19^i—Se18—Ba6	151.8 (4)
Se5—Ba6—Ba5^x	123.75 (4)	Se20^i—Se18—Ba6	59.30 (19)
Se10—Ba6—Ba5^x	117.37 (3)	Sn4^i—Se18—Ba6	88.36 (7)
Se13^x—Ba6—Ba5^x	45.02 (3)	Ba4—Se18—Ba6	127.50 (9)
Se18—Ba6—Ba5^x	58.85 (4)	Se19^i—Se18—Ba5^i	55.3 (4)
Sn3^xiv—Ba6—Ba5^x	82.29 (3)	Se20^i—Se18—Ba5^i	164.1 (2)
Se17—Ba7—Se12	110.44 (5)	Sn4^i—Se18—Ba5^i	88.43 (8)
Se17—Ba7—Se9^i	108.45 (5)	Ba4—Se18—Ba5^i	127.27 (9)
Se12—Ba7—Se9^i	57.80 (4)	Ba6—Se18—Ba5^i	105.09 (5)
Se17—Ba7—Se2^i	72.76 (4)	Se18^i—Se19—Sn4	86.7 (5)
Se12—Ba7—Se2^i	72.07 (4)	Se20—Se19—Sn4	80.3 (3)
Se9^i—Ba7—Se2^i	127.16 (5)	Se18^i—Se19—Ba5	111.3 (4)
Se17—Ba7—Se8^xv	98.51 (5)	Se20—Se19—Ba5	136.7 (3)
Se12—Ba7—Se8^xv	149.41 (4)	Sn4—Se19—Ba5	101.1 (2)
Se9^i—Ba7—Se8^xv	122.39 (5)	Se18^i—Se19—Ba4^i	90.4 (4)
Se2^i—Ba7—Se8^xv	108.99 (5)	Se20—Se19—Ba4^i	66.56 (19)
Se17—Ba7—Se7^i	68.06 (4)	Sn4—Se19—Ba4^i	94.65 (18)
Se12—Ba7—Se7^i	126.66 (5)	Ba5—Se19—Ba4^i	153.7 (3)
Se9^i—Ba7—Se7^i	71.91 (4)	Se18^i—Se20—Se16	162.3 (3)
Se2^i—Ba7—Se7^i	140.50 (4)	Se19—Se20—Se16	169.3 (3)
Se8^xv—Ba7—Se7^i	72.85 (4)	Se18^i—Se20—Ba6^i	94.1 (2)
Se17—Ba7—Se15^xv	101.40 (5)	Se19—Se20—Ba6^i	106.8 (2)
Se12—Ba7—Se15^xv	121.25 (4)	Se16—Se20—Ba6^i	68.51 (12)
Se9^i—Ba7—Se15^xv	148.09 (4)	Se18^i—Se20—Ba4^i	83.6 (2)
Se2^i—Ba7—Se15^xv	72.24 (4)	Se19—Se20—Ba4^i	70.35 (19)
Se8^xv—Ba7—Se15^xv	39.66 (4)	Se16—Se20—Ba4^i	113.25 (18)
Se7^i—Ba7—Se15^xv	110.55 (5)	Ba6^i—Se20—Ba4^i	173.4 (2)
Se17—Ba7—Se15^ix	158.77 (5)	Se18^i—Se20—Ba5^xiii	111.5 (3)
Se12—Ba7—Se15^ix	84.66 (4)	Se19—Se20—Ba5^xiii	116.1 (3)
Se9^i—Ba7—Se15^ix	66.21 (4)	Se16—Se20—Ba5^xiii	74.29 (15)
Se2^i—Ba7—Se15^ix	127.52 (4)	Ba6^i—Se20—Ba5^xiii	93.81 (15)
Se8^xv—Ba7—Se15^ix	70.47 (4)	Ba4^i—Se20—Ba5^xiii	92.82 (14)

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