Tb₃Pd₂, Er₃Pd₂ and Er₆Co_5–x: structural variations and bonding in rare-earth-richer binary inter­metallics

The three binary Tb/Er-rich transition metal compounds Tb₃Pd₂ (triterbium dipalladium), Er₃Pd₂ (trierbium dipalladium) and Er₆Co_5–x (hexa­erbium penta­cobalt) crystallize in the space groups Pbam (Pearson symbol oP20), P4/mbm (tP10) and P6₃/m (hP22), respectively. Single crystals of Tb₃Pd₂ and Er₆Co_5–x suitable for X-ray structure analysis were obtained using rare-earth halides as a flux. Tb₃Pd₂ adopts its own structure type, which can be described as a superstructural derivative of the U₃Si₂ type, which is the type adopted by Er₃Pd₂. Compound Er₆Co_5–x belongs to the Ce₆Co_2–xSi₃ family. All three compounds feature fused tricapped {TR₆} (R = rare-earth metal and T = transition metal) trigonal prismatic heterometallic clusters. R₃Pd₂ is reported to crystallize in the U₃Si₂ type; however, our more detailed structure analysis reveals that deviations occur with heavier R elements. Similarly, Er₆Co_5–x was assumed to be stoichiometric Er₄Co₃ = Er₆Co_4.5. Our studies reveal that it has a single defective transition-metal site leading to the composition Er₆Co_4.72(2). LMTO (linear muffin-tin orbital)-based electronic structure calculations suggest the strong domination of heteroatomic bonding in all three structures.

Computing details

For all structures, data collection: APEX3 (Bruker, 2015); cell refinement: SAINT (Bruker, 2015); data reduction: SAINT (Bruker, 2015); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: WinXPow (Stoe & Cie, 2004).

Trierbium dipalladium (Er3Pd2)

Crystal data

Er3Pd2	Dx = 10.299 Mg m^−3
Mr = 714.58	Mo Kα radiation, λ = 0.71073 Å
Tetragonal, P4/mbm	Cell parameters from 3146 reflections
a = 7.670 (3) Å	θ = 3.8–36.4°
c = 3.9169 (17) Å	µ = 61.47 mm^−1
V = 230.43 (19) Å^3	T = 293 K
Z = 2	Irregular fragment, metallic
F(000) = 592	0.1 × 0.1 × 0.08 mm

Data collection

Bruker Venture diffractometer	291 reflections with I > 2σ(I)
ω scans	Rint = 0.080
Absorption correction: empirical (using intensity measurements) (Blessing, 1995)	θmax = 36.4°, θmin = 3.8°
Tmin = 0.03, Tmax = 0.05	h = −11→12
3146 measured reflections	k = −12→10
342 independent reflections	l = −6→6

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.013P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.029	(Δ/σ)max < 0.001
wR(F^2) = 0.044	Δρmax = 2.26 e Å^−3
S = 1.12	Δρmin = −3.37 e Å^−3
342 reflections	Extinction correction: SHELXL2014 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
12 parameters	Extinction coefficient: 0.0068 (4)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

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

	x	y	z	Uiso*/Ueq
Er1	0.5000	0.5000	0.5000	0.00895 (16)
Er2	0.83701 (4)	0.66299 (4)	0.0000	0.00927 (13)
Pd1	0.63349 (8)	0.86651 (8)	0.5000	0.01040 (18)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Er1	0.0076 (2)	0.0076 (2)	0.0116 (3)	0.000	0.000	0.000
Er2	0.00997 (16)	0.00997 (16)	0.0079 (2)	0.00140 (16)	0.000	0.000
Pd1	0.0084 (2)	0.0084 (2)	0.0145 (4)	0.0006 (3)	0.000	0.000

Geometric parameters (Å, º)

Er1—Pd1	2.9918 (11)	Er2—Pd1^x	3.0096 (9)
Er1—Pd1^i	2.9918 (11)	Er2—Pd1^vi	3.0096 (10)
Er1—Pd1^ii	2.9918 (11)	Er2—Pd1^ii	3.0096 (9)
Er1—Pd1^iii	2.9918 (11)	Er2—Er1^xi	3.4756 (10)
Er1—Er2^iv	3.4756 (10)	Er2—Er1^viii	3.4756 (10)
Er1—Er2^v	3.4756 (10)	Er2—Er1^xii	3.4756 (10)
Er1—Er2^vi	3.4756 (10)	Er2—Er2^xiii	3.5359 (16)
Er1—Er2^vii	3.4756 (10)	Er2—Er2^viii	3.9169 (17)
Er1—Er2	3.4756 (10)	Pd1—Pd1^xiv	2.8959 (19)
Er1—Er2^i	3.4756 (10)	Pd1—Er2^v	2.9511 (11)
Er1—Er2^iii	3.4756 (10)	Pd1—Er1^xi	2.9918 (11)
Er1—Er2^ii	3.4756 (10)	Pd1—Er2^xv	3.0096 (9)
Er2—Pd1	2.9511 (11)	Pd1—Er2^xvi	3.0096 (10)
Er2—Pd1^viii	2.9511 (11)	Pd1—Er2^iii	3.0096 (9)
Er2—Pd1^ix	3.0096 (9)	Pd1—Er2^vii	3.0096 (9)
Pd1—Er1—Pd1^i	180.0	Pd1^x—Er2—Er1^xi	98.67 (2)
Pd1—Er1—Pd1^ii	90.0	Pd1^vi—Er2—Er1^xi	154.365 (18)
Pd1^i—Er1—Pd1^ii	90.0	Pd1^ii—Er2—Er1^xi	99.68 (3)
Pd1—Er1—Pd1^iii	90.0	Pd1—Er2—Er1^viii	99.83 (2)
Pd1^i—Er1—Pd1^iii	90.0	Pd1^viii—Er2—Er1^viii	54.755 (13)
Pd1^ii—Er1—Pd1^iii	180.0	Pd1^ix—Er2—Er1^viii	154.366 (18)
Pd1—Er1—Er2^iv	126.333 (14)	Pd1^x—Er2—Er1^viii	99.68 (3)
Pd1^i—Er1—Er2^iv	53.667 (14)	Pd1^vi—Er2—Er1^viii	54.372 (15)
Pd1^ii—Er1—Er2^iv	125.150 (14)	Pd1^ii—Er2—Er1^viii	98.68 (2)
Pd1^iii—Er1—Er2^iv	54.850 (14)	Er1^xi—Er2—Er1^viii	148.486 (16)
Pd1—Er1—Er2^v	53.667 (14)	Pd1—Er2—Er1^xii	99.83 (2)
Pd1^i—Er1—Er2^v	126.333 (14)	Pd1^viii—Er2—Er1^xii	54.754 (13)
Pd1^ii—Er1—Er2^v	54.850 (14)	Pd1^ix—Er2—Er1^xii	98.67 (2)
Pd1^iii—Er1—Er2^v	125.150 (14)	Pd1^x—Er2—Er1^xii	54.371 (15)
Er2^iv—Er1—Er2^v	180.0	Pd1^vi—Er2—Er1^xii	99.68 (3)
Pd1—Er1—Er2^vi	125.150 (14)	Pd1^ii—Er2—Er1^xii	154.365 (18)
Pd1^i—Er1—Er2^vi	54.850 (14)	Er1^xi—Er2—Er1^xii	68.59 (3)
Pd1^ii—Er1—Er2^vi	53.667 (13)	Er1^viii—Er2—Er1^xii	102.56 (3)
Pd1^iii—Er1—Er2^vi	126.333 (13)	Pd1—Er2—Er1	54.754 (13)
Er2^iv—Er1—Er2^vi	71.487 (15)	Pd1^viii—Er2—Er1	99.83 (2)
Er2^v—Er1—Er2^vi	108.513 (15)	Pd1^ix—Er2—Er1	99.68 (3)
Pd1—Er1—Er2^vii	54.850 (14)	Pd1^x—Er2—Er1	154.366 (18)
Pd1^i—Er1—Er2^vii	125.150 (14)	Pd1^vi—Er2—Er1	98.68 (2)
Pd1^ii—Er1—Er2^vii	126.333 (13)	Pd1^ii—Er2—Er1	54.372 (15)
Pd1^iii—Er1—Er2^vii	53.667 (13)	Er1^xi—Er2—Er1	102.56 (3)
Er2^iv—Er1—Er2^vii	108.513 (15)	Er1^viii—Er2—Er1	68.59 (3)
Er2^v—Er1—Er2^vii	71.487 (15)	Er1^xii—Er2—Er1	148.486 (16)
Er2^vi—Er1—Er2^vii	180.0	Pd1—Er2—Er2^xiii	138.423 (19)
Pd1—Er1—Er2	53.667 (14)	Pd1^viii—Er2—Er2^xiii	138.42 (2)
Pd1^i—Er1—Er2	126.333 (14)	Pd1^ix—Er2—Er2^xiii	54.026 (13)
Pd1^ii—Er1—Er2	54.850 (14)	Pd1^x—Er2—Er2^xiii	54.026 (13)
Pd1^iii—Er1—Er2	125.150 (14)	Pd1^vi—Er2—Er2^xiii	54.024 (13)
Er2^iv—Er1—Er2	111.41 (3)	Pd1^ii—Er2—Er2^xiii	54.024 (13)
Er2^v—Er1—Er2	68.59 (3)	Er1^xi—Er2—Er2^xiii	105.757 (8)
Er2^vi—Er1—Er2	71.487 (15)	Er1^viii—Er2—Er2^xiii	105.757 (8)
Er2^vii—Er1—Er2	108.513 (15)	Er1^xii—Er2—Er2^xiii	105.757 (8)
Pd1—Er1—Er2^i	126.333 (14)	Er1—Er2—Er2^xiii	105.757 (8)
Pd1^i—Er1—Er2^i	53.667 (14)	Pd1—Er2—Er2^viii	131.577 (19)
Pd1^ii—Er1—Er2^i	125.150 (14)	Pd1^viii—Er2—Er2^viii	48.42 (2)
Pd1^iii—Er1—Er2^i	54.850 (14)	Pd1^ix—Er2—Er2^viii	130.598 (18)
Er2^iv—Er1—Er2^i	68.59 (3)	Pd1^x—Er2—Er2^viii	49.402 (18)
Er2^v—Er1—Er2^i	111.41 (3)	Pd1^vi—Er2—Er2^viii	49.403 (18)
Er2^vi—Er1—Er2^i	108.513 (15)	Pd1^ii—Er2—Er2^viii	130.597 (18)
Er2^vii—Er1—Er2^i	71.487 (14)	Er1^xi—Er2—Er2^viii	124.297 (15)
Er2—Er1—Er2^i	180.0	Er1^viii—Er2—Er2^viii	55.703 (15)
Pd1—Er1—Er2^iii	54.850 (14)	Er1^xii—Er2—Er2^viii	55.703 (15)
Pd1^i—Er1—Er2^iii	125.150 (14)	Er1—Er2—Er2^viii	124.297 (15)
Pd1^ii—Er1—Er2^iii	126.333 (14)	Er2^xiii—Er2—Er2^viii	90.0
Pd1^iii—Er1—Er2^iii	53.667 (14)	Pd1^xiv—Pd1—Er2^v	138.423 (19)
Er2^iv—Er1—Er2^iii	71.487 (15)	Pd1^xiv—Pd1—Er2	138.423 (19)
Er2^v—Er1—Er2^iii	108.513 (15)	Er2^v—Pd1—Er2	83.15 (4)
Er2^vi—Er1—Er2^iii	111.41 (3)	Pd1^xiv—Pd1—Er1^xi	114.989 (14)
Er2^vii—Er1—Er2^iii	68.59 (3)	Er2^v—Pd1—Er1^xi	71.579 (14)
Er2—Er1—Er2^iii	71.487 (15)	Er2—Pd1—Er1^xi	71.579 (14)
Er2^i—Er1—Er2^iii	108.513 (15)	Pd1^xiv—Pd1—Er1	114.987 (14)
Pd1—Er1—Er2^ii	125.150 (14)	Er2^v—Pd1—Er1	71.579 (14)
Pd1^i—Er1—Er2^ii	54.850 (14)	Er2—Pd1—Er1	71.579 (14)
Pd1^ii—Er1—Er2^ii	53.667 (14)	Er1^xi—Pd1—Er1	130.02 (3)
Pd1^iii—Er1—Er2^ii	126.333 (14)	Pd1^xiv—Pd1—Er2^xv	61.243 (16)
Er2^iv—Er1—Er2^ii	108.513 (15)	Er2^v—Pd1—Er2^xv	85.87 (3)
Er2^v—Er1—Er2^ii	71.487 (15)	Er2—Pd1—Er2^xv	142.349 (16)
Er2^vi—Er1—Er2^ii	68.59 (3)	Er1^xi—Pd1—Er2^xv	70.779 (8)
Er2^vii—Er1—Er2^ii	111.41 (3)	Er1—Pd1—Er2^xv	137.365 (16)
Er2—Er1—Er2^ii	108.513 (15)	Pd1^xiv—Pd1—Er2^xvi	61.243 (16)
Er2^i—Er1—Er2^ii	71.487 (15)	Er2^v—Pd1—Er2^xvi	142.349 (17)
Er2^iii—Er1—Er2^ii	180.0	Er2—Pd1—Er2^xvi	85.87 (3)
Pd1—Er2—Pd1^viii	83.15 (4)	Er1^xi—Pd1—Er2^xvi	70.779 (8)
Pd1—Er2—Pd1^ix	90.43 (3)	Er1—Pd1—Er2^xvi	137.365 (16)
Pd1^viii—Er2—Pd1^ix	150.607 (14)	Er2^xv—Pd1—Er2^xvi	81.19 (4)
Pd1—Er2—Pd1^x	150.608 (14)	Pd1^xiv—Pd1—Er2^iii	61.242 (16)
Pd1^viii—Er2—Pd1^x	90.43 (3)	Er2^v—Pd1—Er2^iii	142.349 (17)
Pd1^ix—Er2—Pd1^x	81.20 (4)	Er2—Pd1—Er2^iii	85.87 (3)
Pd1—Er2—Pd1^vi	150.608 (14)	Er1^xi—Pd1—Er2^iii	137.365 (16)
Pd1^viii—Er2—Pd1^vi	90.44 (3)	Er1—Pd1—Er2^iii	70.779 (8)
Pd1^ix—Er2—Pd1^vi	108.05 (3)	Er2^xv—Pd1—Er2^iii	122.48 (3)
Pd1^x—Er2—Pd1^vi	57.52 (3)	Er2^xvi—Pd1—Er2^iii	71.95 (3)
Pd1—Er2—Pd1^ii	90.44 (3)	Pd1^xiv—Pd1—Er2^vii	61.242 (16)
Pd1^viii—Er2—Pd1^ii	150.609 (15)	Er2^v—Pd1—Er2^vii	85.87 (3)
Pd1^ix—Er2—Pd1^ii	57.52 (3)	Er2—Pd1—Er2^vii	142.349 (17)
Pd1^x—Er2—Pd1^ii	108.05 (3)	Er1^xi—Pd1—Er2^vii	137.365 (16)
Pd1^vi—Er2—Pd1^ii	81.19 (4)	Er1—Pd1—Er2^vii	70.779 (8)
Pd1—Er2—Er1^xi	54.754 (13)	Er2^xv—Pd1—Er2^vii	71.95 (3)
Pd1^viii—Er2—Er1^xi	99.83 (2)	Er2^xvi—Pd1—Er2^vii	122.48 (3)
Pd1^ix—Er2—Er1^xi	54.371 (15)	Er2^iii—Pd1—Er2^vii	81.19 (4)

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

Gexaerbium pentacobalt (Co5Er6)

Crystal data

Er6Co4.72	Dx = 9.582 Mg m^−3
Mr = 1282.00	Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P63/m	Cell parameters from 8766 reflections
a = 11.3625 (16) Å	θ = 2.1–29.6°
c = 3.9740 (8) Å	µ = 64.43 mm^−1
V = 444.33 (15) Å^3	T = 293 K
Z = 2	Irregular fragment, metallic
F(000) = 1071	0.1 × 0.1 × 0.1 mm

Data collection

STOE IPDS diffractometer	434 reflections with I > 2σ(I)
ω scans	Rint = 0.119
Absorption correction: empirical (using intensity measurements) (Blessing, 1995)	θmax = 29.6°, θmin = 2.1°
Tmin = 0.04, Tmax = 0.05	h = −15→15
8766 measured reflections	k = −15→14
471 independent reflections	l = −5→5

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0412P)^2 + 5.0088P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.036	(Δ/σ)max < 0.001
wR(F^2) = 0.084	Δρmax = 2.24 e Å^−3
S = 1.18	Δρmin = −2.17 e Å^−3
471 reflections	Extinction correction: SHELXL2014 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
25 parameters	Extinction coefficient: 0.0202 (13)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Er1	0.38003 (6)	0.51457 (5)	0.2500	0.0227 (3)
Er2	0.02098 (6)	0.24691 (6)	0.2500	0.0250 (3)
Co3	0.3333	0.6667	−0.2500	0.0252 (6)
Co4	0.15906 (19)	0.4416 (2)	−0.2500	0.0251 (4)
Co5	0.0000	0.0000	0.0000	0.199 (18)	0.72 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Er1	0.0229 (4)	0.0220 (3)	0.0239 (4)	0.0118 (2)	0.000	0.000
Er2	0.0237 (4)	0.0248 (4)	0.0264 (4)	0.0121 (2)	0.000	0.000
Co3	0.0260 (9)	0.0260 (9)	0.0235 (13)	0.0130 (4)	0.000	0.000
Co4	0.0252 (9)	0.0232 (8)	0.0262 (9)	0.0115 (7)	0.000	0.000
Co5	0.019 (2)	0.019 (2)	0.56 (5)	0.0096 (10)	0.000	0.000

Geometric parameters (Å, º)

Er1—Co3^i	2.8519 (5)	Er2—Er1^xi	3.4687 (8)
Er1—Co3	2.8519 (5)	Co3—Co4^viii	2.323 (2)
Er1—Co4^ii	2.9491 (15)	Co3—Co4^iii	2.323 (2)
Er1—Co4^iii	2.9491 (15)	Co3—Co4	2.323 (2)
Er1—Co4^i	2.9763 (14)	Co3—Er1^xii	2.8519 (5)
Er1—Co4	2.9763 (14)	Co3—Er1^iii	2.8519 (5)
Er1—Co4^iv	3.0470 (19)	Co3—Er1^viii	2.8519 (5)
Er1—Er2^iv	3.4687 (8)	Co3—Er1^xiii	2.8519 (5)
Er1—Er2^v	3.4687 (8)	Co3—Er1^xiv	2.8519 (5)
Er1—Er1^vi	3.5203 (10)	Co4—Er2^xiv	2.7988 (15)
Er1—Er1^vii	3.5203 (10)	Co4—Er1^viii	2.9490 (15)
Er1—Er1^viii	3.5434 (11)	Co4—Er1^xii	2.9490 (15)
Er2—Co4^i	2.7988 (15)	Co4—Er1^xiv	2.9763 (14)
Er2—Co4	2.7988 (15)	Co4—Er1^x	3.0469 (19)
Er2—Co5	2.8716 (7)	Co4—Er2^iv	3.074 (2)
Er2—Co5^ix	2.8716 (7)	Co5—Co5^ix	1.9870 (4)
Er2—Co4^x	3.074 (2)	Co5—Co5^xv	1.9870 (4)
Er2—Er2^v	3.3477 (6)	Co5—Er2^xvi	2.8716 (7)
Er2—Er2^iv	3.3477 (6)	Co5—Er2^xvii	2.8716 (7)
Er2—Er2^x	3.3477 (6)	Co5—Er2^iv	2.8716 (7)
Er2—Er2^xi	3.3477 (6)	Co5—Er2^xviii	2.8716 (7)
Er2—Er1^x	3.4687 (8)	Co5—Er2^x	2.8716 (7)
Co3^i—Er1—Co3	88.33 (2)	Er2^v—Er2—Er1^xi	105.488 (17)
Co3^i—Er1—Co4^ii	47.18 (4)	Er2^iv—Er2—Er1^xi	161.27 (2)
Co3—Er1—Co4^ii	105.02 (4)	Er2^x—Er2—Er1^xi	105.07 (2)
Co3^i—Er1—Co4^iii	105.02 (4)	Er2^xi—Er2—Er1^xi	65.169 (18)
Co3—Er1—Co4^iii	47.18 (4)	Er1^x—Er2—Er1^xi	69.90 (2)
Co4^ii—Er1—Co4^iii	84.72 (5)	Co4^i—Er2—Er1	52.69 (3)
Co3^i—Er1—Co4^i	46.92 (4)	Co4—Er2—Er1	52.69 (3)
Co3—Er1—Co4^i	104.31 (3)	Co5—Er2—Er1	108.922 (18)
Co4^ii—Er1—Co4^i	85.54 (6)	Co5^ix—Er2—Er1	108.922 (19)
Co4^iii—Er1—Co4^i	145.27 (6)	Co4^x—Er2—Er1	150.51 (4)
Co3^i—Er1—Co4	104.32 (3)	Er2^v—Er2—Er1	59.006 (16)
Co3—Er1—Co4	46.92 (4)	Er2^iv—Er2—Er1	59.006 (16)
Co4^ii—Er1—Co4	145.27 (6)	Er2^x—Er2—Er1	142.477 (8)
Co4^iii—Er1—Co4	85.54 (6)	Er2^xi—Er2—Er1	142.477 (8)
Co4^i—Er1—Co4	83.77 (5)	Er1^x—Er2—Er1	103.656 (15)
Co3^i—Er1—Co4^iv	135.814 (10)	Er1^xi—Er2—Er1	103.656 (15)
Co3—Er1—Co4^iv	135.815 (10)	Co4^viii—Co3—Co4^iii	120.0
Co4^ii—Er1—Co4^iv	108.12 (4)	Co4^viii—Co3—Co4	120.0
Co4^iii—Er1—Co4^iv	108.12 (4)	Co4^iii—Co3—Co4	120.000 (1)
Co4^i—Er1—Co4^iv	106.60 (6)	Co4^viii—Co3—Er1^xii	69.36 (3)
Co4—Er1—Co4^iv	106.60 (6)	Co4^iii—Co3—Er1^xii	135.832 (10)
Co3^i—Er1—Er2^iv	147.86 (2)	Co4—Co3—Er1^xii	68.61 (3)
Co3—Er1—Er2^iv	92.782 (14)	Co4^viii—Co3—Er1^iii	68.61 (3)
Co4^ii—Er1—Er2^iv	158.34 (4)	Co4^iii—Co3—Er1^iii	69.36 (3)
Co4^iii—Er1—Er2^iv	99.06 (3)	Co4—Co3—Er1^iii	135.832 (10)
Co4^i—Er1—Er2^iv	102.17 (4)	Er1^xii—Co3—Er1^iii	137.963 (8)
Co4—Er1—Er2^iv	56.35 (4)	Co4^viii—Co3—Er1^viii	69.36 (3)
Co4^iv—Er1—Er2^iv	50.37 (3)	Co4^iii—Co3—Er1^viii	135.832 (10)
Co3^i—Er1—Er2^v	92.782 (15)	Co4—Co3—Er1^viii	68.61 (3)
Co3—Er1—Er2^v	147.86 (2)	Er1^xii—Co3—Er1^viii	88.33 (2)
Co4^ii—Er1—Er2^v	99.06 (3)	Er1^iii—Co3—Er1^viii	76.812 (16)
Co4^iii—Er1—Er2^v	158.34 (4)	Co4^viii—Co3—Er1	135.832 (10)
Co4^i—Er1—Er2^v	56.35 (4)	Co4^iii—Co3—Er1	68.61 (3)
Co4—Er1—Er2^v	102.17 (4)	Co4—Co3—Er1	69.36 (3)
Co4^iv—Er1—Er2^v	50.37 (3)	Er1^xii—Co3—Er1	137.963 (8)
Er2^iv—Er1—Er2^v	69.90 (2)	Er1^iii—Co3—Er1	76.813 (16)
Co3^i—Er1—Er1^vi	92.935 (15)	Er1^viii—Co3—Er1	76.812 (16)
Co3—Er1—Er1^vi	146.90 (3)	Co4^viii—Co3—Er1^xiii	68.61 (3)
Co4^ii—Er1—Er1^vi	55.35 (4)	Co4^iii—Co3—Er1^xiii	69.36 (3)
Co4^iii—Er1—Er1^vi	101.07 (4)	Co4—Co3—Er1^xiii	135.832 (10)
Co4^i—Er1—Er1^vi	100.49 (3)	Er1^xii—Co3—Er1^xiii	76.813 (16)
Co4—Er1—Er1^vi	159.35 (4)	Er1^iii—Co3—Er1^xiii	88.33 (2)
Co4^iv—Er1—Er1^vi	52.77 (3)	Er1^viii—Co3—Er1^xiii	137.963 (7)
Er2^iv—Er1—Er1^vi	103.09 (2)	Er1—Co3—Er1^xiii	137.963 (8)
Er2^v—Er1—Er1^vi	65.155 (17)	Co4^viii—Co3—Er1^xiv	135.832 (10)
Co3^i—Er1—Er1^vii	146.90 (3)	Co4^iii—Co3—Er1^xiv	68.61 (3)
Co3—Er1—Er1^vii	92.936 (15)	Co4—Co3—Er1^xiv	69.36 (3)
Co4^ii—Er1—Er1^vii	101.07 (4)	Er1^xii—Co3—Er1^xiv	76.812 (16)
Co4^iii—Er1—Er1^vii	55.35 (4)	Er1^iii—Co3—Er1^xiv	137.963 (8)
Co4^i—Er1—Er1^vii	159.35 (4)	Er1^viii—Co3—Er1^xiv	137.963 (8)
Co4—Er1—Er1^vii	100.49 (3)	Er1—Co3—Er1^xiv	88.33 (2)
Co4^iv—Er1—Er1^vii	52.77 (3)	Er1^xiii—Co3—Er1^xiv	76.812 (16)
Er2^iv—Er1—Er1^vii	65.155 (17)	Co3—Co4—Er2	134.63 (3)
Er2^v—Er1—Er1^vii	103.09 (2)	Co3—Co4—Er2^xiv	134.63 (3)
Er1^vi—Er1—Er1^vii	68.73 (2)	Er2—Co4—Er2^xiv	90.46 (6)
Co3^i—Er1—Er1^viii	51.595 (8)	Co3—Co4—Er1^viii	64.22 (4)
Co3—Er1—Er1^viii	51.594 (8)	Er2—Co4—Er1^viii	81.76 (3)
Co4^ii—Er1—Er1^viii	94.89 (4)	Er2^xiv—Co4—Er1^viii	144.42 (7)
Co4^iii—Er1—Er1^viii	94.89 (4)	Co3—Co4—Er1^xii	64.22 (4)
Co4^i—Er1—Er1^viii	52.92 (3)	Er2—Co4—Er1^xii	144.42 (7)
Co4—Er1—Er1^viii	52.92 (3)	Er2^xiv—Co4—Er1^xii	81.76 (3)
Co4^iv—Er1—Er1^viii	148.49 (5)	Er1^viii—Co4—Er1^xii	84.72 (5)
Er2^iv—Er1—Er1^viii	105.95 (2)	Co3—Co4—Er1	63.72 (4)
Er2^v—Er1—Er1^viii	105.95 (2)	Er2—Co4—Er1	78.91 (3)
Er1^vi—Er1—Er1^viii	144.030 (13)	Er2^xiv—Co4—Er1	139.07 (7)
Er1^vii—Er1—Er1^viii	144.030 (13)	Er1^viii—Co4—Er1	73.45 (3)
Co4^i—Er2—Co4	90.46 (6)	Er1^xii—Co4—Er1	127.94 (7)
Co4^i—Er2—Co5	139.27 (4)	Co3—Co4—Er1^xiv	63.72 (4)
Co4—Er2—Co5	105.46 (3)	Er2—Co4—Er1^xiv	139.07 (7)
Co4^i—Er2—Co5^ix	105.46 (3)	Er2^xiv—Co4—Er1^xiv	78.91 (3)
Co4—Er2—Co5^ix	139.27 (4)	Er1^viii—Co4—Er1^xiv	127.94 (7)
Co5—Er2—Co5^ix	40.483 (12)	Er1^xii—Co4—Er1^xiv	73.45 (3)
Co4^i—Er2—Co4^x	110.56 (3)	Er1—Co4—Er1^xiv	83.76 (5)
Co4—Er2—Co4^x	110.56 (3)	Co3—Co4—Er1^x	119.05 (7)
Co5—Er2—Co4^x	98.69 (4)	Er2—Co4—Er1^x	72.65 (4)
Co5^ix—Er2—Co4^x	98.69 (4)	Er2^xiv—Co4—Er1^x	72.65 (4)
Co4^i—Er2—Er2^v	59.21 (4)	Er1^viii—Co4—Er1^x	71.88 (4)
Co4—Er2—Er2^v	109.33 (4)	Er1^xii—Co4—Er1^x	71.88 (4)
Co5—Er2—Er2^v	80.084 (10)	Er1—Co4—Er1^x	137.58 (3)
Co5^ix—Er2—Er2^v	54.345 (3)	Er1^xiv—Co4—Er1^x	137.58 (3)
Co4^x—Er2—Er2^v	138.825 (18)	Co3—Co4—Er2^iv	116.09 (7)
Co4^i—Er2—Er2^iv	109.33 (4)	Er2—Co4—Er2^iv	69.32 (4)
Co4—Er2—Er2^iv	59.22 (4)	Er2^xiv—Co4—Er2^iv	69.32 (4)
Co5—Er2—Er2^iv	54.345 (3)	Er1^viii—Co4—Er2^iv	136.70 (3)
Co5^ix—Er2—Er2^iv	80.084 (9)	Er1^xii—Co4—Er2^iv	136.70 (3)
Co4^x—Er2—Er2^iv	138.825 (18)	Er1—Co4—Er2^iv	69.94 (4)
Er2^v—Er2—Er2^iv	72.818 (19)	Er1^xiv—Co4—Er2^iv	69.94 (4)
Co4^i—Er2—Er2^x	162.02 (4)	Er1^x—Co4—Er2^iv	124.86 (7)
Co4—Er2—Er2^x	96.22 (3)	Co5^ix—Co5—Co5^xv	180.0
Co5—Er2—Er2^x	54.345 (3)	Co5^ix—Co5—Er2^xvi	110.241 (6)
Co5^ix—Er2—Er2^x	80.084 (10)	Co5^xv—Co5—Er2^xvi	69.759 (6)
Co4^x—Er2—Er2^x	51.46 (3)	Co5^ix—Co5—Er2^xvii	69.759 (6)
Er2^v—Er2—Er2^x	132.543 (6)	Co5^xv—Co5—Er2^xvii	110.241 (6)
Er2^iv—Er2—Er2^x	88.370 (13)	Er2^xvi—Co5—Er2^xvii	71.310 (7)
Co4^i—Er2—Er2^xi	96.22 (3)	Co5^ix—Co5—Er2^iv	110.241 (6)
Co4—Er2—Er2^xi	162.02 (4)	Co5^xv—Co5—Er2^iv	69.759 (6)
Co5—Er2—Er2^xi	80.084 (10)	Er2^xvi—Co5—Er2^iv	108.690 (7)
Co5^ix—Er2—Er2^xi	54.345 (3)	Er2^xvii—Co5—Er2^iv	180.0
Co4^x—Er2—Er2^xi	51.46 (3)	Co5^ix—Co5—Er2^xviii	69.759 (6)
Er2^v—Er2—Er2^xi	88.370 (13)	Co5^xv—Co5—Er2^xviii	110.241 (6)
Er2^iv—Er2—Er2^xi	132.543 (6)	Er2^xvi—Co5—Er2^xviii	71.310 (6)
Er2^x—Er2—Er2^xi	72.817 (18)	Er2^xvii—Co5—Er2^xviii	108.690 (7)
Co4^i—Er2—Er1^x	105.57 (4)	Er2^iv—Co5—Er2^xviii	71.310 (7)
Co4—Er2—Er1^x	56.98 (4)	Co5^ix—Co5—Er2^x	110.241 (6)
Co5—Er2—Er1^x	114.602 (15)	Co5^xv—Co5—Er2^x	69.759 (6)
Co5^ix—Er2—Er1^x	144.36 (2)	Er2^xvi—Co5—Er2^x	108.690 (6)
Co4^x—Er2—Er1^x	53.71 (3)	Er2^xvii—Co5—Er2^x	71.310 (7)
Er2^v—Er2—Er1^x	161.27 (2)	Er2^iv—Co5—Er2^x	108.690 (7)
Er2^iv—Er2—Er1^x	105.488 (17)	Er2^xviii—Co5—Er2^x	180.0
Er2^x—Er2—Er1^x	65.169 (18)	Co5^ix—Co5—Er2	69.759 (6)
Er2^xi—Er2—Er1^x	105.07 (2)	Co5^xv—Co5—Er2	110.241 (6)
Co4^i—Er2—Er1^xi	56.98 (4)	Er2^xvi—Co5—Er2	180.0
Co4—Er2—Er1^xi	105.57 (4)	Er2^xvii—Co5—Er2	108.691 (6)
Co5—Er2—Er1^xi	144.36 (2)	Er2^iv—Co5—Er2	71.309 (6)
Co5^ix—Er2—Er1^xi	114.602 (15)	Er2^xviii—Co5—Er2	108.690 (6)
Co4^x—Er2—Er1^xi	53.71 (3)	Er2^x—Co5—Er2	71.310 (6)

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

Triterbium dipalladium (mo_Tb3Pd2_0ma)

Crystal data

Tb3Pd2	Dx = 9.661 Mg m^−3
Mr = 689.56	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbam	Cell parameters from 4453 reflections
a = 11.0334 (19) Å	θ = 2.6–33.1°
b = 11.072 (2) Å	µ = 51.40 mm^−1
c = 3.8810 (9) Å	T = 293 K
V = 474.10 (16) Å^3	Irregular fragment, metallic
Z = 4	0.08 × 0.07 × 0.07 mm
F(000) = 1148

Data collection

Bruker Venture diffractometer	885 reflections with I > 2σ(I)
ω scans	Rint = 0.042
Absorption correction: empirical (using intensity measurements) (Blessing, 1995)	θmax = 33.1°, θmin = 2.6°
Tmin = 0.04, Tmax = 0.07	h = −12→16
4453 measured reflections	k = −16→14
1002 independent reflections	l = −5→5

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + 8.7355P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.032	(Δ/σ)max = 0.001
wR(F^2) = 0.058	Δρmax = 3.02 e Å^−3
S = 1.32	Δρmin = −2.09 e Å^−3
1002 reflections	Extinction correction: SHELXL2014 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
32 parameters	Extinction coefficient: 0.00352 (13)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

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

	x	y	z	Uiso*/Ueq
Tb1	0.99281 (5)	0.66422 (5)	0.0000	0.01019 (13)
Tb2	0.75002 (5)	0.27217 (5)	0.5000	0.01065 (14)
Tb3	0.33655 (5)	0.47542 (5)	0.0000	0.01022 (13)
Pd1	0.86945 (8)	0.50689 (8)	0.5000	0.01241 (19)
Pd2	0.50634 (8)	0.37031 (8)	0.5000	0.01321 (19)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Tb1	0.0122 (2)	0.0097 (3)	0.0086 (3)	−0.00014 (18)	0.000	0.000
Tb2	0.0101 (2)	0.0099 (3)	0.0119 (3)	0.00000 (18)	0.000	0.000
Tb3	0.0100 (2)	0.0120 (3)	0.0087 (3)	−0.00077 (19)	0.000	0.000
Pd1	0.0094 (4)	0.0122 (4)	0.0156 (5)	−0.0012 (3)	0.000	0.000
Pd2	0.0120 (4)	0.0105 (4)	0.0171 (5)	0.0015 (3)	0.000	0.000

Geometric parameters (Å, º)

Tb1—Pd1^i	2.9415 (9)	Tb3—Pd2	2.9375 (9)
Tb1—Pd1	2.9415 (9)	Tb3—Pd1^xii	2.9950 (9)
Tb1—Pd2^ii	2.9953 (9)	Tb3—Pd1^xi	2.9950 (9)
Tb1—Pd2^iii	2.9953 (9)	Tb3—Pd2^xi	3.1126 (9)
Tb1—Pd1^iv	3.1087 (9)	Tb3—Pd2^xii	3.1126 (9)
Tb1—Pd1^v	3.1087 (9)	Tb3—Tb2^xiii	3.4916 (8)
Tb1—Tb2^v	3.5089 (8)	Tb3—Tb2^xiv	3.4916 (8)
Tb1—Tb2^iv	3.5089 (8)	Tb3—Tb2^xi	3.5338 (8)
Tb1—Tb2^iii	3.5175 (8)	Tb3—Tb2^xii	3.5338 (8)
Tb1—Tb2^ii	3.5175 (8)	Tb3—Tb3^xii	3.6476 (12)
Tb1—Tb1^iv	3.6399 (13)	Tb3—Tb3^vi	3.8810 (9)
Tb1—Tb1^vi	3.8810 (9)	Pd1—Pd1^v	2.8848 (18)
Tb2—Pd2	2.8999 (11)	Pd1—Tb1^vi	2.9415 (9)
Tb2—Pd1	2.9137 (12)	Pd1—Tb3^xii	2.9950 (9)
Tb2—Pd1^vii	3.2193 (12)	Pd1—Tb3^xi	2.9950 (9)
Tb2—Pd2^viii	3.2382 (12)	Pd1—Tb1^iv	3.1087 (9)
Tb2—Tb3^ix	3.4916 (8)	Pd1—Tb1^v	3.1087 (9)
Tb2—Tb3^viii	3.4916 (8)	Pd1—Tb2^ii	3.2194 (12)
Tb2—Tb1^v	3.5089 (8)	Pd2—Pd2^xi	2.8752 (19)
Tb2—Tb1^iv	3.5089 (8)	Pd2—Tb3^vi	2.9375 (9)
Tb2—Tb1^vii	3.5174 (8)	Pd2—Tb1^vii	2.9953 (9)
Tb2—Tb1^x	3.5174 (8)	Pd2—Tb1^x	2.9953 (9)
Tb2—Tb3^xi	3.5338 (8)	Pd2—Tb3^xi	3.1125 (9)
Tb2—Tb3^xii	3.5338 (8)	Pd2—Tb3^xii	3.1125 (9)
Tb3—Pd2^i	2.9375 (9)	Pd2—Tb2^xiv	3.2382 (12)
Pd1^i—Tb1—Pd1	82.55 (3)	Pd2^i—Tb3—Pd1^xi	159.70 (3)
Pd1^i—Tb1—Pd2^ii	151.64 (3)	Pd2—Tb3—Pd1^xi	94.70 (2)
Pd1—Tb1—Pd2^ii	91.44 (2)	Pd1^xii—Tb3—Pd1^xi	80.77 (3)
Pd1^i—Tb1—Pd2^iii	91.44 (2)	Pd2^i—Tb3—Pd2^xi	105.91 (2)
Pd1—Tb1—Pd2^iii	151.64 (3)	Pd2—Tb3—Pd2^xi	56.66 (3)
Pd2^ii—Tb1—Pd2^iii	80.76 (3)	Pd1^xii—Tb3—Pd2^xi	142.25 (3)
Pd1^i—Tb1—Pd1^iv	56.87 (3)	Pd1^xi—Tb3—Pd2^xi	89.02 (2)
Pd1—Tb1—Pd1^iv	106.09 (3)	Pd2^i—Tb3—Pd2^xii	56.66 (3)
Pd2^ii—Tb1—Pd1^iv	150.12 (3)	Pd2—Tb3—Pd2^xii	105.91 (2)
Pd2^iii—Tb1—Pd1^iv	93.34 (2)	Pd1^xii—Tb3—Pd2^xii	89.02 (2)
Pd1^i—Tb1—Pd1^v	106.09 (3)	Pd1^xi—Tb3—Pd2^xii	142.25 (3)
Pd1—Tb1—Pd1^v	56.87 (3)	Pd2^xi—Tb3—Pd2^xii	77.14 (3)
Pd2^ii—Tb1—Pd1^v	93.34 (2)	Pd2^i—Tb3—Tb2^xiii	59.75 (2)
Pd2^iii—Tb1—Pd1^v	150.12 (3)	Pd2—Tb3—Tb2^xiii	103.33 (3)
Pd1^iv—Tb1—Pd1^v	77.25 (3)	Pd1^xii—Tb3—Tb2^xiii	58.92 (2)
Pd1^i—Tb1—Tb2^v	149.08 (3)	Pd1^xi—Tb3—Tb2^xiii	101.77 (2)
Pd1—Tb1—Tb2^v	97.37 (2)	Pd2^xi—Tb3—Tb2^xiii	158.37 (3)
Pd2^ii—Tb1—Tb2^v	59.09 (2)	Pd2^xii—Tb3—Tb2^xiii	103.69 (2)
Pd2^iii—Tb1—Tb2^v	101.70 (3)	Pd2^i—Tb3—Tb2^xiv	103.33 (3)
Pd1^iv—Tb1—Tb2^v	94.14 (2)	Pd2—Tb3—Tb2^xiv	59.75 (2)
Pd1^v—Tb1—Tb2^v	51.82 (2)	Pd1^xii—Tb3—Tb2^xiv	101.77 (2)
Pd1^i—Tb1—Tb2^iv	97.36 (2)	Pd1^xi—Tb3—Tb2^xiv	58.92 (2)
Pd1—Tb1—Tb2^iv	149.08 (3)	Pd2^xi—Tb3—Tb2^xiv	103.69 (2)
Pd2^ii—Tb1—Tb2^iv	101.70 (3)	Pd2^xii—Tb3—Tb2^xiv	158.37 (3)
Pd2^iii—Tb1—Tb2^iv	59.09 (2)	Tb2^xiii—Tb3—Tb2^xiv	67.53 (2)
Pd1^iv—Tb1—Tb2^iv	51.82 (2)	Pd2^i—Tb3—Tb2^xi	148.04 (3)
Pd1^v—Tb1—Tb2^iv	94.14 (2)	Pd2—Tb3—Tb2^xi	97.06 (2)
Tb2^v—Tb1—Tb2^iv	67.15 (2)	Pd1^xii—Tb3—Tb2^xi	95.68 (2)
Pd1^i—Tb1—Tb2^iii	58.99 (2)	Pd1^xi—Tb3—Tb2^xi	52.22 (2)
Pd1—Tb1—Tb2^iii	102.28 (3)	Pd2^xi—Tb3—Tb2^xi	51.26 (2)
Pd2^ii—Tb1—Tb2^iii	95.80 (3)	Pd2^xii—Tb3—Tb2^xi	93.38 (3)
Pd2^iii—Tb1—Tb2^iii	52.13 (2)	Tb2^xiii—Tb3—Tb2^xi	148.444 (18)
Pd1^iv—Tb1—Tb2^iii	103.595 (19)	Tb2^xiv—Tb3—Tb2^xi	103.991 (16)
Pd1^v—Tb1—Tb2^iii	157.49 (3)	Pd2^i—Tb3—Tb2^xii	97.06 (2)
Tb2^v—Tb1—Tb2^iii	148.522 (19)	Pd2—Tb3—Tb2^xii	148.04 (3)
Tb2^iv—Tb1—Tb2^iii	104.044 (16)	Pd1^xii—Tb3—Tb2^xii	52.22 (2)
Pd1^i—Tb1—Tb2^ii	102.28 (3)	Pd1^xi—Tb3—Tb2^xii	95.68 (2)
Pd1—Tb1—Tb2^ii	58.99 (2)	Pd2^xi—Tb3—Tb2^xii	93.38 (3)
Pd2^ii—Tb1—Tb2^ii	52.13 (2)	Pd2^xii—Tb3—Tb2^xii	51.26 (2)
Pd2^iii—Tb1—Tb2^ii	95.80 (3)	Tb2^xiii—Tb3—Tb2^xii	103.991 (16)
Pd1^iv—Tb1—Tb2^ii	157.49 (3)	Tb2^xiv—Tb3—Tb2^xii	148.444 (18)
Pd1^v—Tb1—Tb2^ii	103.595 (19)	Tb2^xi—Tb3—Tb2^xii	66.61 (2)
Tb2^v—Tb1—Tb2^ii	104.044 (16)	Pd2^i—Tb3—Tb3^xii	55.15 (2)
Tb2^iv—Tb1—Tb2^ii	148.522 (19)	Pd2—Tb3—Tb3^xii	55.15 (2)
Tb2^iii—Tb1—Tb2^ii	66.96 (2)	Pd1^xii—Tb3—Tb3^xii	137.787 (17)
Pd1^i—Tb1—Tb1^iv	55.15 (2)	Pd1^xi—Tb3—Tb3^xii	137.787 (17)
Pd1—Tb1—Tb1^iv	55.15 (2)	Pd2^xi—Tb3—Tb3^xii	50.758 (19)
Pd2^ii—Tb1—Tb1^iv	139.544 (16)	Pd2^xii—Tb3—Tb3^xii	50.758 (19)
Pd2^iii—Tb1—Tb1^iv	139.544 (16)	Tb2^xiii—Tb3—Tb3^xii	112.80 (2)
Pd1^iv—Tb1—Tb1^iv	50.940 (18)	Tb2^xiv—Tb3—Tb3^xii	112.80 (2)
Pd1^v—Tb1—Tb1^iv	50.940 (18)	Tb2^xi—Tb3—Tb3^xii	98.58 (2)
Tb2^v—Tb1—Tb1^iv	99.51 (2)	Tb2^xii—Tb3—Tb3^xii	98.58 (2)
Tb2^iv—Tb1—Tb1^iv	99.51 (2)	Pd2^i—Tb3—Tb3^vi	131.345 (16)
Tb2^iii—Tb1—Tb1^iv	111.88 (2)	Pd2—Tb3—Tb3^vi	48.655 (16)
Tb2^ii—Tb1—Tb1^iv	111.88 (2)	Pd1^xii—Tb3—Tb3^vi	130.384 (15)
Pd1^i—Tb1—Tb1^vi	131.277 (15)	Pd1^xi—Tb3—Tb3^vi	49.616 (15)
Pd1—Tb1—Tb1^vi	48.724 (15)	Pd2^xi—Tb3—Tb3^vi	51.432 (15)
Pd2^ii—Tb1—Tb1^vi	49.621 (16)	Pd2^xii—Tb3—Tb3^vi	128.568 (14)
Pd2^iii—Tb1—Tb1^vi	130.380 (16)	Tb2^xiii—Tb3—Tb3^vi	123.763 (11)
Pd1^iv—Tb1—Tb1^vi	128.624 (14)	Tb2^xiv—Tb3—Tb3^vi	56.237 (11)
Pd1^v—Tb1—Tb1^vi	51.375 (14)	Tb2^xi—Tb3—Tb3^vi	56.693 (11)
Tb2^v—Tb1—Tb1^vi	56.425 (11)	Tb2^xii—Tb3—Tb3^vi	123.307 (10)
Tb2^iv—Tb1—Tb1^vi	123.574 (11)	Tb3^xii—Tb3—Tb3^vi	90.0
Tb2^iii—Tb1—Tb1^vi	123.482 (10)	Pd1^v—Pd1—Tb2	113.86 (5)
Tb2^ii—Tb1—Tb1^vi	56.518 (11)	Pd1^v—Pd1—Tb1	64.48 (3)
Tb1^iv—Tb1—Tb1^vi	90.0	Tb2—Pd1—Tb1	137.514 (18)
Pd2—Tb2—Pd1	94.88 (3)	Pd1^v—Pd1—Tb1^vi	64.48 (3)
Pd2—Tb2—Pd1^vii	87.83 (3)	Tb2—Pd1—Tb1^vi	137.514 (18)
Pd1—Tb2—Pd1^vii	177.28 (3)	Tb1—Pd1—Tb1^vi	82.55 (3)
Pd2—Tb2—Pd2^viii	172.85 (3)	Pd1^v—Pd1—Tb3^xii	139.579 (15)
Pd1—Tb2—Pd2^viii	92.27 (3)	Tb2—Pd1—Tb3^xii	73.45 (2)
Pd1^vii—Tb2—Pd2^viii	85.02 (3)	Tb1—Pd1—Tb3^xii	83.40 (2)
Pd2—Tb2—Tb3^ix	123.21 (2)	Tb1^vi—Pd1—Tb3^xii	137.72 (4)
Pd1—Tb2—Tb3^ix	125.21 (2)	Pd1^v—Pd1—Tb3^xi	139.579 (15)
Pd1^vii—Tb2—Tb3^ix	52.822 (19)	Tb2—Pd1—Tb3^xi	73.45 (2)
Pd2^viii—Tb2—Tb3^ix	51.592 (16)	Tb1—Pd1—Tb3^xi	137.72 (4)
Pd2—Tb2—Tb3^viii	123.21 (2)	Tb1^vi—Pd1—Tb3^xi	83.40 (2)
Pd1—Tb2—Tb3^viii	125.21 (2)	Tb3^xii—Pd1—Tb3^xi	80.77 (3)
Pd1^vii—Tb2—Tb3^viii	52.822 (19)	Pd1^v—Pd1—Tb1^iv	58.64 (3)
Pd2^viii—Tb2—Tb3^viii	51.592 (16)	Tb2—Pd1—Tb1^iv	71.19 (2)
Tb3^ix—Tb2—Tb3^viii	67.53 (2)	Tb1—Pd1—Tb1^iv	73.91 (2)
Pd2—Tb2—Tb1^v	132.42 (2)	Tb1^vi—Pd1—Tb1^iv	123.13 (3)
Pd1—Tb2—Tb1^v	56.995 (18)	Tb3^xii—Pd1—Tb1^iv	90.37 (2)
Pd1^vii—Tb2—Tb1^v	120.94 (2)	Tb3^xi—Pd1—Tb1^iv	144.62 (4)
Pd2^viii—Tb2—Tb1^v	52.524 (18)	Pd1^v—Pd1—Tb1^v	58.64 (3)
Tb3^ix—Tb2—Tb1^v	104.11 (2)	Tb2—Pd1—Tb1^v	71.19 (2)
Tb3^viii—Tb2—Tb1^v	68.229 (17)	Tb1—Pd1—Tb1^v	123.13 (3)
Pd2—Tb2—Tb1^iv	132.42 (2)	Tb1^vi—Pd1—Tb1^v	73.91 (2)
Pd1—Tb2—Tb1^iv	56.995 (18)	Tb3^xii—Pd1—Tb1^v	144.62 (4)
Pd1^vii—Tb2—Tb1^iv	120.94 (2)	Tb3^xi—Pd1—Tb1^v	90.37 (2)
Pd2^viii—Tb2—Tb1^iv	52.524 (18)	Tb1^iv—Pd1—Tb1^v	77.25 (3)
Tb3^ix—Tb2—Tb1^iv	68.229 (17)	Pd1^v—Pd1—Tb2^ii	117.20 (5)
Tb3^viii—Tb2—Tb1^iv	104.11 (2)	Tb2—Pd1—Tb2^ii	128.94 (3)
Tb1^v—Tb2—Tb1^iv	67.15 (2)	Tb1—Pd1—Tb2^ii	69.46 (2)
Pd2—Tb2—Tb1^vii	54.63 (2)	Tb1^vi—Pd1—Tb2^ii	69.46 (2)
Pd1—Tb2—Tb1^vii	130.36 (2)	Tb3^xii—Pd1—Tb2^ii	68.26 (2)
Pd1^vii—Tb2—Tb1^vii	51.546 (16)	Tb3^xi—Pd1—Tb2^ii	68.26 (2)
Pd2^viii—Tb2—Tb1^vii	119.98 (2)	Tb1^iv—Pd1—Tb2^ii	139.126 (17)
Tb3^ix—Tb2—Tb1^vii	68.588 (17)	Tb1^v—Pd1—Tb2^ii	139.126 (17)
Tb3^viii—Tb2—Tb1^vii	104.37 (2)	Pd2^xi—Pd2—Tb2	114.79 (5)
Tb1^v—Tb2—Tb1^vii	171.582 (19)	Pd2^xi—Pd2—Tb3^vi	64.74 (3)
Tb1^iv—Tb2—Tb1^vii	112.275 (15)	Tb2—Pd2—Tb3^vi	137.705 (17)
Pd2—Tb2—Tb1^x	54.63 (2)	Pd2^xi—Pd2—Tb3	64.74 (3)
Pd1—Tb2—Tb1^x	130.36 (2)	Tb2—Pd2—Tb3	137.705 (17)
Pd1^vii—Tb2—Tb1^x	51.546 (16)	Tb3^vi—Pd2—Tb3	82.69 (3)
Pd2^viii—Tb2—Tb1^x	119.98 (2)	Pd2^xi—Pd2—Tb1^vii	139.554 (16)
Tb3^ix—Tb2—Tb1^x	104.37 (2)	Tb2—Pd2—Tb1^vii	73.24 (2)
Tb3^viii—Tb2—Tb1^x	68.588 (17)	Tb3^vi—Pd2—Tb1^vii	137.03 (4)
Tb1^v—Tb2—Tb1^x	112.275 (15)	Tb3—Pd2—Tb1^vii	82.87 (2)
Tb1^iv—Tb2—Tb1^x	171.582 (19)	Pd2^xi—Pd2—Tb1^x	139.554 (16)
Tb1^vii—Tb2—Tb1^x	66.96 (2)	Tb2—Pd2—Tb1^x	73.24 (2)
Pd2—Tb2—Tb3^xi	56.844 (19)	Tb3^vi—Pd2—Tb1^x	82.87 (2)
Pd1—Tb2—Tb3^xi	54.33 (2)	Tb3—Pd2—Tb1^x	137.03 (4)
Pd1^vii—Tb2—Tb3^xi	127.65 (2)	Tb1^vii—Pd2—Tb1^x	80.76 (3)
Pd2^viii—Tb2—Tb3^xi	128.41 (2)	Pd2^xi—Pd2—Tb3^xi	58.60 (3)
Tb3^ix—Tb2—Tb3^xi	179.466 (18)	Tb2—Pd2—Tb3^xi	71.90 (2)
Tb3^viii—Tb2—Tb3^xi	112.930 (15)	Tb3^vi—Pd2—Tb3^xi	74.09 (2)
Tb1^v—Tb2—Tb3^xi	75.888 (17)	Tb3—Pd2—Tb3^xi	123.34 (3)
Tb1^iv—Tb2—Tb3^xi	111.32 (2)	Tb1^vii—Pd2—Tb3^xi	145.10 (4)
Tb1^vii—Tb2—Tb3^xi	111.45 (2)	Tb1^x—Pd2—Tb3^xi	90.71 (2)
Tb1^x—Tb2—Tb3^xi	76.106 (17)	Pd2^xi—Pd2—Tb3^xii	58.60 (3)
Pd2—Tb2—Tb3^xii	56.844 (18)	Tb2—Pd2—Tb3^xii	71.90 (2)
Pd1—Tb2—Tb3^xii	54.33 (2)	Tb3^vi—Pd2—Tb3^xii	123.34 (3)
Pd1^vii—Tb2—Tb3^xii	127.65 (2)	Tb3—Pd2—Tb3^xii	74.09 (2)
Pd2^viii—Tb2—Tb3^xii	128.41 (2)	Tb1^vii—Pd2—Tb3^xii	90.71 (2)
Tb3^ix—Tb2—Tb3^xii	112.930 (15)	Tb1^x—Pd2—Tb3^xii	145.10 (4)
Tb3^viii—Tb2—Tb3^xii	179.466 (18)	Tb3^xi—Pd2—Tb3^xii	77.14 (3)
Tb1^v—Tb2—Tb3^xii	111.32 (2)	Pd2^xi—Pd2—Tb2^xiv	116.37 (5)
Tb1^iv—Tb2—Tb3^xii	75.888 (17)	Tb2—Pd2—Tb2^xiv	128.84 (3)
Tb1^vii—Tb2—Tb3^xii	76.106 (17)	Tb3^vi—Pd2—Tb2^xiv	68.66 (2)
Tb1^x—Tb2—Tb3^xii	111.45 (2)	Tb3—Pd2—Tb2^xiv	68.66 (2)
Tb3^xi—Tb2—Tb3^xii	66.61 (2)	Tb1^vii—Pd2—Tb2^xiv	68.39 (2)
Pd2^i—Tb3—Pd2	82.69 (3)	Tb1^x—Pd2—Tb2^xiv	68.39 (2)
Pd2^i—Tb3—Pd1^xii	94.70 (2)	Tb3^xi—Pd2—Tb2^xiv	138.912 (18)
Pd2—Tb3—Pd1^xii	159.70 (3)	Tb3^xii—Pd2—Tb2^xiv	138.912 (18)

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