Diterbium hepta­nickel: a crystal structure redetermination

Levytskyy, V.; Babizhetskyy, V.; Kotur, B.; Smetana, V.

doi:10.1107/S1600536814015384

inorganic compounds

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ISSN: 2056-9890

Volume 70| Part 8| August 2014| Page i42

doi:10.1107/S1600536814015384

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Diterbium heptanickel: a crystal structure redetermination

Volodymyr Levytskyy,^a ^* Volodymyr Babizhetskyy,^a Bohdan Kotur ^a and Volodymyr Smetana ^b

^aDepartment of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla & Mefodiya street 6, 79005 Lviv, Ukraine, and ^b344 Spedding Hall, Ames Laboratory, Ames, IA 50011-3020, USA
^*Correspondence e-mail: v.levyckyy@gmail.com

Edited by L. Farrugia, University of Glasgow, Scotland (Received 13 June 2014; accepted 1 July 2014; online 5 July 2014)

The crystal structure of the title compound, Tb₂Ni₇, was redetermined from single-crystal X-ray diffraction data. In comparison with previous studies based on powder X-ray diffraction data [Lemaire et al. (1967). C. R. Acad. Sci. Ser. B, 265, 1280–1282; Lemaire & Paccard (1969). Bull. Soc. Fr. Mineral. Cristallogr. 92, 9–16; Buschow & van der Goot (1970). J. Less-Common Met. 22, 419–428], the present redetermination affords refined coordinates and anisotropic displacement parameters for all atoms. A partial occupation for one Tb atom results in the non-stoichiometric composition Tb_1.962 (4)Ni₇. The title compound adopts the Ce₂Ni₇ structure type and can also be derived from the CaCu₅ structure type as an intergrowth structure. The asymmetric unit contains two Tb sites (both site symmetries 3m.) and five Ni sites (.m., mm2, 3m., 3m., -3m.). The two different coordination polyhedra of Tb are a Frank–Kasper polyhedron formed by four Tb and 12 Ni atoms and a pseudo Frank–Kasper polyhedron formed by two Tb and 18 Ni atoms. The four different coordination polyhedra of Ni are Frank–Kasper icosahedra formed by five Tb and seven Ni atoms, four Tb and eight Ni atoms, three Tb and nine Ni atoms, and six Tb and six Ni atoms, respectively.

Keywords: crystal structure.

CCDC reference: 1011470

Related literature

For the Ce₂Ni₇ structure type, see: Cromer & Larson (1959 ). For previous X-ray powder studies of the title compound, see: Lemaire et al. (1967 ); Lemaire & Paccard (1969 ); Buschow & van der Goot (1970 ). For related compounds, see: Bertaut et al. (1965 ); Virkar & Raman (1969 ); Buschow & van der Goot (1970); Paul-Boncour et al. (2006 ); Levytskyy et al. (2012 ). For intergrowth structures, see: Parthé et al. (1985 ); Grin (1992 ). For standardization of crystal structure data, see: Gelato & Parthé (1987 ).

Experimental

Crystal data

Tb_1.96Ni₇
M_r = 722.72
Hexagonal, P 6₃ /m m c
a = 4.944 (1) Å
c = 24.129 (6) Å
V = 510.8 (2) Å³
Z = 4
Mo Kα radiation
μ = 51.78 mm⁻¹
T = 293 K
0.05 × 0.04 × 0.04 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2007 ) T_min = 0.50, T_max = 0.74
7652 measured reflections
422 independent reflections
313 reflections with I > 2σ(I)
R_int = 0.073

Refinement

R[F² > 2σ(F²)] = 0.025
wR(F²) = 0.041
S = 1.07
422 reflections
27 parameters
Δρ_max = 1.51 e Å⁻³
Δρ_min = −1.76 e Å⁻³

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SIR2011 (Burla et al., 2012 ); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008 ) and WinGX (Farrugia, 2012 ); molecular graphics: DIAMOND (Brandenburg, 2006 ); software used to prepare material for publication: publCIF (Westrip, 2010 ).

Supporting information

CCDC reference: 1011470

Crystal structure: contains datablock I. DOI: 10.1107/S1600536814015384/fj2679sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536814015384/fj2679Isup2.hkl

checkCIF report

Comment top

A lot of works have been published about R₂Ni₇ stoichiometry compounds (R = rare earth element) (see, Lemaire et al., 1967; Lemaire & Paccard, 1969; Virkar & Raman, 1969; Buschow & van der Goot, 1970) with either β-Gd₂Co₇ (Bertaut et al., 1965) or Ce₂Ni₇ (Cromer & Larson, 1959) structure types. According to Virkar & Raman (1969) the high-temperature modifications adopt the rhombohedral β-Gd₂Co₇ type structure whereas the low-temperature phases are isomorphic with Ce₂Ni₇. On the other hand, Lemaire et al. (1967) observed the coexistence of both modifications even in annealed at 1373 K samples for Pr₂Ni₇, Nd₂Ni₇, Gd₂Ni₇, Tb₂Ni₇, and Dy₂Ni₇. Buschow & van der Goot (1970) investigated series of R₂Ni₇ compounds and concluded the crystal structures of the R₂Ni₇ compounds are dependent on the R atom size. The transformation between these two polymorphic forms is of a martensitic type.

Our research work mainly deals with the heavy rare earth – transition metal (R–T) systems. And the crystal structures of the compounds forming in such systems are of the most interest. Investigation of the Tb–Ni system at 1070 K resulted in good agreement with the literature data for unit cell parameters for all compounds obtained from powder X-ray diffraction using starting coordinates of appropriate structure types. It was noted there is no any information in literature about crystal structure refinement of heavy rare earth R₂Ni₇ compounds. Our recent work was devoted to the refinement of the Dy₂Ni₇ compound, which crystal stucture is isomorphous with β-Gd₂Co₇ (see, Levytskyy et al., 2012). In present study the crystal structure of Tb₂Ni₇ was redetermined with high accurracy using single-crystal X-ray method.

The structure is characterized by two independent terbium atom sites (both 4f Wyckoff positions) and five nickel atom sites (12k, 6h, 4f, 4e and 2a). The unit cell of diterbium heptanickel is shown in Fig. 1. The structure may be viewed as staking of RT₅ blocks corresponding to the CaCu₅-type and R₂T₄ blocks corresponding to the MgCu₂-type structures. The presence of the same Kagome net in the structure types of CaCu₅ and the Laves phase MgCu₂ allows a combination of both structural motifs along the 6₃ screw axis giving an intergrowth structure: 4RT₅ + 2R₂T₄ = 4R₂T₇ (Parthé et al., 1985; Grin, 1992).

In Fig. 2 the ab projection of the unit cell and the coordination polyhedra for all atom types are shown. The coordination number for all Ni atoms is 12. The coordination polyhedra are Frank–Kasper icosahedra. The Ni1 atom (Wyckoff site 12k, site symmetry. m.) is surrounded by 5 Tb atoms and 7 Ni atoms. The Ni2 atom (Wyckoff site 6h, site symmetry mm2) is surrounded by 4 Tb atoms and 8 Ni atoms. The Ni3 and Ni4 atoms (Wyckof sites 4f and 4e, site symmetries 3m.) are surrounded by 3 Tb atoms and 9 Ni atoms. The Ni5 (Wyckoff site 2a, site symmetry 3m.) is surrounded by 6 Tb and 6 Ni atoms. The coordination polyhedra for Tb1 and Tb2 atoms (Wyckoff sites 4f, site symmetries 3m.) are a Frank–Kasper polyhedron (coordination number 16) and a pseudo Frank–Kasper polyhedron (coordination number 20), respectively. The Tb1 atom is surrounded by 4 Tb atoms and 12 Ni atoms. The Tb2 atom is surrounded by 2 Tb atoms and 18 Ni atoms.

Related literature top

For the Ce₂Ni₇ structure type, see: Cromer & Larson (1959). For previous X-ray powder studies of the title compound, see: Lemaire et al. (1967); Lemaire & Paccard (1969); Buschow & van der Goot (1970). For related compounds, see: Bertaut et al. (1965); Virkar & Raman (1969); Buschow & van der Goot (1970); Paul-Boncour et al. (2006); Levytskyy et al. (2012). For intergrowth structures, see: Parthé et al. (1985); Grin (1992). For standardization of crystal structure data, see: Gelato & Parthé (1987).

Experimental top

The sample was prepared from powdered commercially available pure elements: sublimed bulk pieces of terbium metal with a claimed purity of 99.9 at.% (Strem Chemicals) and 99.99% pure nickel powder (Aldrich Chem. Inc.). A mixture of the powders was compacted into a pellet. It was arc-melted under an argon atmosphere on a water-cooled copper hearth. The alloy button (~1 g) was turned over and remelted three times to improve homogeneity. Subsequently, the sample was annealed in an evacuated silica tube for four weeks at 1070 K. Shiny metallic gray prysmatic shaped crystals were isolated mechanically from crushed sample with a help of microscope.

Computing details top

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SIR2011 (Burla et al., 2012); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008) and WinGX (Farrugia, 2012); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top

	Fig. 1. Perspective view of the crystal structure of Tb₂Ni₇. The unit cell and the blocks of RT₅ and R₂T₄ are emphasized. Atoms are represented by their anisotropic displacement ellipsoids at the 99.99% probability level
	Fig. 2. The ab projection of the unit cell and coordination polyhedra for all types of atoms in the Tb₂Ni₇ structure

Diterbium heptanickel top

Crystal data top

Tb_1.96Ni₇	D_x = 9.398 Mg m⁻³
M_r = 722.72	Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P6₃/mmc	Cell parameters from 7652 reflections
a = 4.944 (1) Å	θ = 1.7–32.8°
c = 24.129 (6) Å	µ = 51.78 mm⁻¹
V = 510.8 (2) Å³	T = 293 K
Z = 4	Irregular, fragment, metallic gray
F(000) = 1294	0.05 × 0.04 × 0.04 mm

Data collection top

Bruker SMART CCD diffractometer	313 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.073
ω scans	θ_max = 32.8°, θ_min = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 2007)	h = −7→7
T_min = 0.50, T_max = 0.74	k = −7→7
7652 measured reflections	l = −36→35
422 independent reflections

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	w = 1/[σ²(F_o²) + (0.0109P)² + 2.7514P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.025	(Δ/σ)_max = 0.001
wR(F²) = 0.041	Δρ_max = 1.51 e Å⁻³
S = 1.07	Δρ_min = −1.76 e Å⁻³
422 reflections	Extinction correction: SHELXL2013 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
27 parameters	Extinction coefficient: 0.00061 (6)

Crystal data top

Tb_1.96Ni₇	Z = 4
M_r = 722.72	Mo Kα radiation
Hexagonal, P6₃/mmc	µ = 51.78 mm⁻¹
a = 4.944 (1) Å	T = 293 K
c = 24.129 (6) Å	0.05 × 0.04 × 0.04 mm
V = 510.8 (2) Å³

Data collection top

Bruker SMART CCD diffractometer	422 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2007)	313 reflections with I > 2σ(I)
T_min = 0.50, T_max = 0.74	R_int = 0.073
7652 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.025	27 parameters
wR(F²) = 0.041	0 restraints
S = 1.07	Δρ_max = 1.51 e Å⁻³
422 reflections	Δρ_min = −1.76 e Å⁻³

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.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Ni1	0.16717 (13)	0.3343 (3)	0.08560 (3)	0.0076 (2)
Ni2	0.1665 (2)	0.3330 (4)	0.2500	0.0076 (3)
Ni3	0.3333	0.6667	0.16728 (6)	0.0088 (3)
Tb1	0.3333	0.6667	0.52871 (2)	0.0108 (2)	0.962 (4)
Tb2	0.3333	0.6667	0.67352 (2)	0.00849 (16)
Ni4	0.0000	0.0000	0.16750 (6)	0.0089 (3)
Ni5	0.0000	0.0000	0.0000	0.0081 (5)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ni1	0.0082 (4)	0.0065 (4)	0.0073 (4)	0.0033 (2)	−0.0001 (2)	−0.0002 (4)
Ni2	0.0096 (5)	0.0067 (6)	0.0055 (5)	0.0033 (3)	0.000	0.000
Ni3	0.0111 (5)	0.0111 (5)	0.0044 (7)	0.0055 (2)	0.000	0.000
Tb1	0.0114 (3)	0.0114 (3)	0.0098 (3)	0.00568 (13)	0.000	0.000
Tb2	0.0083 (2)	0.0083 (2)	0.0090 (3)	0.00413 (10)	0.000	0.000
Ni4	0.0103 (5)	0.0103 (5)	0.0060 (7)	0.0052 (3)	0.000	0.000
Ni5	0.0100 (8)	0.0100 (8)	0.0043 (9)	0.0050 (4)	0.000	0.000

Geometric parameters (Å, º) top

Ni1—Ni3	2.4309 (15)	Tb1—Ni1^xviii	2.8274 (7)
Ni1—Ni4	2.4403 (15)	Tb1—Ni5^xv	2.9373 (6)
Ni1—Ni1ⁱ	2.465 (2)	Tb1—Ni5^xix	2.9373 (6)
Ni1—Ni1ⁱⁱ	2.465 (2)	Tb1—Ni5^xvii	2.9373 (6)
Ni1—Ni1ⁱⁱⁱ	2.479 (2)	Tb1—Ni1^xx	3.1036 (12)
Ni1—Ni1^iv	2.479 (2)	Tb1—Ni1^vii	3.1036 (12)
Ni1—Ni5	2.5129 (10)	Tb1—Ni1^xxi	3.1036 (12)
Ni1—Tb1^v	2.8274 (7)	Tb2—Ni4^xv	2.8581 (6)
Ni1—Tb1^vi	2.8275 (7)	Tb2—Ni4^xix	2.8581 (6)
Ni1—Tb1^vii	3.1036 (12)	Tb2—Ni4^xvii	2.8581 (6)
Ni1—Tb2^v	3.2576 (8)	Tb2—Ni3^xvii	2.8584 (6)
Ni1—Tb2^vi	3.2576 (8)	Tb2—Ni3^xv	2.8584 (6)
Ni2—Ni4^vii	2.4485 (16)	Tb2—Ni3^xxii	2.8584 (6)
Ni2—Ni4	2.4486 (16)	Tb2—Ni2^xxiii	3.0848 (6)
Ni2—Ni3^vii	2.4545 (16)	Tb2—Ni2^xxiv	3.0848 (6)
Ni2—Ni3	2.4545 (16)	Tb2—Ni2^viii	3.0848 (6)
Ni2—Ni2ⁱⁱⁱ	2.470 (3)	Tb2—Ni2^xxv	3.0849 (6)
Ni2—Ni2^iv	2.470 (3)	Tb2—Ni2^ix	3.0849 (6)
Ni2—Ni2ⁱ	2.474 (3)	Tb2—Ni2^xxvi	3.0849 (6)
Ni2—Ni2ⁱⁱ	2.474 (3)	Ni4—Ni1ⁱⁱⁱ	2.4403 (15)
Ni2—Tb2^viii	3.0848 (6)	Ni4—Ni1^iv	2.4403 (15)
Ni2—Tb2^v	3.0848 (6)	Ni4—Ni2^iv	2.4486 (16)
Ni2—Tb2^vi	3.0848 (6)	Ni4—Ni2ⁱⁱⁱ	2.4486 (16)
Ni2—Tb2^ix	3.0848 (6)	Ni4—Ni3^xxvii	2.8544 (6)
Ni3—Ni1ⁱ	2.4310 (15)	Ni4—Ni3^xxviii	2.8544 (6)
Ni3—Ni1ⁱⁱ	2.4310 (15)	Ni4—Tb2^v	2.8581 (6)
Ni3—Ni2ⁱ	2.4545 (16)	Ni4—Tb2^xxix	2.8581 (6)
Ni3—Ni2ⁱⁱ	2.4545 (16)	Ni4—Tb2^vi	2.8581 (6)
Ni3—Ni4^x	2.8544 (6)	Ni5—Ni1^xxx	2.5129 (10)
Ni3—Ni4^xi	2.8544 (6)	Ni5—Ni1^xxxi	2.5129 (10)
Ni3—Ni4	2.8544 (6)	Ni5—Ni1^iv	2.5129 (10)
Ni3—Tb2^v	2.8584 (6)	Ni5—Ni1ⁱⁱⁱ	2.5129 (10)
Ni3—Tb2^xii	2.8584 (6)	Ni5—Ni1^xxxii	2.5129 (10)
Ni3—Tb2^vi	2.8584 (6)	Ni5—Tb1^xxxiii	2.9373 (6)
Tb1—Ni1^xiii	2.8274 (7)	Ni5—Tb1^v	2.9373 (6)
Tb1—Ni1^xiv	2.8274 (7)	Ni5—Tb1^vii	2.9373 (6)
Tb1—Ni1^xv	2.8274 (7)	Ni5—Tb1^xxix	2.9373 (6)
Tb1—Ni1^xvi	2.8274 (7)	Ni5—Tb1^vi	2.9373 (6)
Tb1—Ni1^xvii	2.8274 (7)	Ni5—Tb1^xxxiv	2.9373 (6)

Ni3—Ni1—Ni4	71.74 (4)	Ni1^xviii—Tb1—Ni5^xvii	96.49 (2)
Ni3—Ni1—Ni1ⁱ	59.54 (3)	Ni5^xv—Tb1—Ni5^xvii	114.616 (9)
Ni4—Ni1—Ni1ⁱ	120.53 (3)	Ni5^xix—Tb1—Ni5^xvii	114.617 (9)
Ni3—Ni1—Ni1ⁱⁱ	59.54 (3)	Ni1^xiii—Tb1—Ni1^xx	115.511 (19)
Ni4—Ni1—Ni1ⁱⁱ	120.53 (3)	Ni1^xiv—Tb1—Ni1^xx	94.85 (3)
Ni1ⁱ—Ni1—Ni1ⁱⁱ	60.0	Ni1^xv—Tb1—Ni1^xx	94.85 (3)
Ni3—Ni1—Ni1ⁱⁱⁱ	120.46 (3)	Ni1^xvi—Tb1—Ni1^xx	115.511 (19)
Ni4—Ni1—Ni1ⁱⁱⁱ	59.47 (3)	Ni1^xvii—Tb1—Ni1^xx	141.157 (16)
Ni1ⁱ—Ni1—Ni1ⁱⁱⁱ	120.0	Ni1^xviii—Tb1—Ni1^xx	141.157 (16)
Ni1ⁱⁱ—Ni1—Ni1ⁱⁱⁱ	180.0	Ni5^xv—Tb1—Ni1^xx	49.07 (2)
Ni3—Ni1—Ni1^iv	120.46 (3)	Ni5^xix—Tb1—Ni1^xx	90.753 (19)
Ni4—Ni1—Ni1^iv	59.47 (3)	Ni5^xvii—Tb1—Ni1^xx	90.753 (19)
Ni1ⁱ—Ni1—Ni1^iv	180.0	Ni1^xiii—Tb1—Ni1^vii	141.157 (16)
Ni1ⁱⁱ—Ni1—Ni1^iv	120.0	Ni1^xiv—Tb1—Ni1^vii	141.157 (16)
Ni1ⁱⁱⁱ—Ni1—Ni1^iv	60.0	Ni1^xv—Tb1—Ni1^vii	115.511 (19)
Ni3—Ni1—Ni5	178.90 (5)	Ni1^xvi—Tb1—Ni1^vii	94.85 (3)
Ni4—Ni1—Ni5	109.36 (5)	Ni1^xvii—Tb1—Ni1^vii	115.511 (19)
Ni1ⁱ—Ni1—Ni5	119.56 (2)	Ni1^xviii—Tb1—Ni1^vii	94.85 (3)
Ni1ⁱⁱ—Ni1—Ni5	119.56 (2)	Ni5^xv—Tb1—Ni1^vii	90.753 (18)
Ni1ⁱⁱⁱ—Ni1—Ni5	60.44 (2)	Ni5^xix—Tb1—Ni1^vii	49.07 (2)
Ni1^iv—Ni1—Ni5	60.44 (2)	Ni5^xvii—Tb1—Ni1^vii	90.753 (19)
Ni3—Ni1—Tb1^v	113.23 (3)	Ni1^xx—Tb1—Ni1^vii	46.79 (4)
Ni4—Ni1—Tb1^v	113.09 (3)	Ni1^xiii—Tb1—Ni1^xxi	94.85 (3)
Ni1ⁱ—Ni1—Tb1^v	116.01 (2)	Ni1^xiv—Tb1—Ni1^xxi	115.511 (19)
Ni1ⁱⁱ—Ni1—Tb1^v	64.16 (2)	Ni1^xv—Tb1—Ni1^xxi	141.157 (16)
Ni1ⁱⁱⁱ—Ni1—Tb1^v	115.84 (2)	Ni1^xvi—Tb1—Ni1^xxi	141.157 (16)
Ni1^iv—Ni1—Tb1^v	63.99 (2)	Ni1^xvii—Tb1—Ni1^xxi	94.85 (3)
Ni5—Ni1—Tb1^v	66.43 (2)	Ni1^xviii—Tb1—Ni1^xxi	115.511 (19)
Ni3—Ni1—Tb1^vi	113.23 (3)	Ni5^xv—Tb1—Ni1^xxi	90.753 (19)
Ni4—Ni1—Tb1^vi	113.09 (3)	Ni5^xix—Tb1—Ni1^xxi	90.753 (18)
Ni1ⁱ—Ni1—Tb1^vi	64.16 (2)	Ni5^xvii—Tb1—Ni1^xxi	49.07 (2)
Ni1ⁱⁱ—Ni1—Tb1^vi	116.01 (2)	Ni1^xx—Tb1—Ni1^xxi	46.79 (4)
Ni1ⁱⁱⁱ—Ni1—Tb1^vi	63.99 (2)	Ni1^vii—Tb1—Ni1^xxi	46.79 (4)
Ni1^iv—Ni1—Tb1^vi	115.84 (2)	Ni4^xv—Tb2—Ni4^xix	119.744 (6)
Ni5—Ni1—Tb1^vi	66.43 (2)	Ni4^xv—Tb2—Ni4^xvii	119.744 (6)
Tb1^v—Ni1—Tb1^vi	121.92 (4)	Ni4^xix—Tb2—Ni4^xvii	119.744 (6)
Ni3—Ni1—Tb1^vii	116.89 (5)	Ni4^xv—Tb2—Ni3^xvii	174.07 (5)
Ni4—Ni1—Tb1^vii	171.37 (5)	Ni4^xix—Tb2—Ni3^xvii	59.912 (1)
Ni1ⁱ—Ni1—Tb1^vii	66.606 (18)	Ni4^xvii—Tb2—Ni3^xvii	59.912 (1)
Ni1ⁱⁱ—Ni1—Tb1^vii	66.606 (18)	Ni4^xv—Tb2—Ni3^xv	59.911 (2)
Ni1ⁱⁱⁱ—Ni1—Tb1^vii	113.392 (18)	Ni4^xix—Tb2—Ni3^xv	59.912 (2)
Ni1^iv—Ni1—Tb1^vii	113.392 (18)	Ni4^xvii—Tb2—Ni3^xv	174.07 (5)
Ni5—Ni1—Tb1^vii	62.01 (2)	Ni3^xvii—Tb2—Ni3^xv	119.726 (6)
Tb1^v—Ni1—Tb1^vii	64.488 (19)	Ni4^xv—Tb2—Ni3^xxii	59.911 (2)
Tb1^vi—Ni1—Tb1^vii	64.490 (19)	Ni4^xix—Tb2—Ni3^xxii	174.07 (5)
Ni3—Ni1—Tb2^v	58.178 (19)	Ni4^xvii—Tb2—Ni3^xxii	59.912 (1)
Ni4—Ni1—Tb2^v	58.115 (19)	Ni3^xvii—Tb2—Ni3^xxii	119.726 (6)
Ni1ⁱ—Ni1—Tb2^v	112.369 (19)	Ni3^xv—Tb2—Ni3^xxii	119.725 (6)
Ni1ⁱⁱ—Ni1—Tb2^v	67.774 (19)	Ni4^xv—Tb2—Ni2^xxiii	48.48 (3)
Ni1ⁱⁱⁱ—Ni1—Tb2^v	112.228 (19)	Ni4^xix—Tb2—Ni2^xxiii	136.32 (4)
Ni1^iv—Ni1—Tb2^v	67.632 (19)	Ni4^xvii—Tb2—Ni2^xxiii	91.77 (4)
Ni5—Ni1—Tb2^v	122.31 (3)	Ni3^xvii—Tb2—Ni2^xxiii	136.45 (4)
Tb1^v—Ni1—Tb2^v	69.68 (2)	Ni3^xv—Tb2—Ni2^xxiii	91.78 (4)
Tb1^vi—Ni1—Tb2^v	168.40 (3)	Ni3^xxii—Tb2—Ni2^xxiii	48.60 (3)
Tb1^vii—Ni1—Tb2^v	125.41 (2)	Ni4^xv—Tb2—Ni2^xxiv	91.77 (4)
Ni3—Ni1—Tb2^vi	58.179 (19)	Ni4^xix—Tb2—Ni2^xxiv	48.48 (3)
Ni4—Ni1—Tb2^vi	58.115 (19)	Ni4^xvii—Tb2—Ni2^xxiv	136.32 (4)
Ni1ⁱ—Ni1—Tb2^vi	67.773 (19)	Ni3^xvii—Tb2—Ni2^xxiv	91.78 (4)
Ni1ⁱⁱ—Ni1—Tb2^vi	112.370 (19)	Ni3^xv—Tb2—Ni2^xxiv	48.60 (3)
Ni1ⁱⁱⁱ—Ni1—Tb2^vi	67.632 (19)	Ni3^xxii—Tb2—Ni2^xxiv	136.45 (4)
Ni1^iv—Ni1—Tb2^vi	112.228 (19)	Ni2^xxiii—Tb2—Ni2^xxiv	87.891 (17)
Ni5—Ni1—Tb2^vi	122.31 (3)	Ni4^xv—Tb2—Ni2^viii	136.32 (4)
Tb1^v—Ni1—Tb2^vi	168.40 (3)	Ni4^xix—Tb2—Ni2^viii	91.77 (4)
Tb1^vi—Ni1—Tb2^vi	69.68 (2)	Ni4^xvii—Tb2—Ni2^viii	48.48 (3)
Tb1^vii—Ni1—Tb2^vi	125.41 (2)	Ni3^xvii—Tb2—Ni2^viii	48.60 (3)
Tb2^v—Ni1—Tb2^vi	98.72 (3)	Ni3^xv—Tb2—Ni2^viii	136.45 (4)
Ni4^vii—Ni2—Ni4	108.77 (8)	Ni3^xxii—Tb2—Ni2^viii	91.78 (4)
Ni4^vii—Ni2—Ni3^vii	71.21 (3)	Ni2^xxiii—Tb2—Ni2^viii	87.891 (17)
Ni4—Ni2—Ni3^vii	179.98 (5)	Ni2^xxiv—Tb2—Ni2^viii	87.891 (17)
Ni4^vii—Ni2—Ni3	179.98 (11)	Ni4^xv—Tb2—Ni2^xxv	91.77 (4)
Ni4—Ni2—Ni3	71.21 (3)	Ni4^xix—Tb2—Ni2^xxv	136.32 (4)
Ni3^vii—Ni2—Ni3	108.81 (8)	Ni4^xvii—Tb2—Ni2^xxv	48.48 (3)
Ni4^vii—Ni2—Ni2ⁱⁱⁱ	59.71 (3)	Ni3^xvii—Tb2—Ni2^xxv	91.78 (4)
Ni4—Ni2—Ni2ⁱⁱⁱ	59.72 (3)	Ni3^xv—Tb2—Ni2^xxv	136.45 (4)
Ni3^vii—Ni2—Ni2ⁱⁱⁱ	120.27 (3)	Ni3^xxii—Tb2—Ni2^xxv	48.60 (3)
Ni3—Ni2—Ni2ⁱⁱⁱ	120.27 (3)	Ni2^xxiii—Tb2—Ni2^xxv	47.29 (6)
Ni4^vii—Ni2—Ni2^iv	59.71 (3)	Ni2^xxiv—Tb2—Ni2^xxv	106.52 (2)
Ni4—Ni2—Ni2^iv	59.72 (3)	Ni2^viii—Tb2—Ni2^xxv	47.19 (6)
Ni3^vii—Ni2—Ni2^iv	120.27 (3)	Ni4^xv—Tb2—Ni2^ix	48.48 (3)
Ni3—Ni2—Ni2^iv	120.27 (3)	Ni4^xix—Tb2—Ni2^ix	91.77 (4)
Ni2ⁱⁱⁱ—Ni2—Ni2^iv	60.0	Ni4^xvii—Tb2—Ni2^ix	136.32 (4)
Ni4^vii—Ni2—Ni2ⁱ	120.29 (3)	Ni3^xvii—Tb2—Ni2^ix	136.45 (4)
Ni4—Ni2—Ni2ⁱ	120.28 (3)	Ni3^xv—Tb2—Ni2^ix	48.60 (3)
Ni3^vii—Ni2—Ni2ⁱ	59.73 (3)	Ni3^xxii—Tb2—Ni2^ix	91.78 (4)
Ni3—Ni2—Ni2ⁱ	59.73 (3)	Ni2^xxiii—Tb2—Ni2^ix	47.19 (6)
Ni2ⁱⁱⁱ—Ni2—Ni2ⁱ	120.0	Ni2^xxiv—Tb2—Ni2^ix	47.29 (6)
Ni2^iv—Ni2—Ni2ⁱ	180.0	Ni2^viii—Tb2—Ni2^ix	106.52 (2)
Ni4^vii—Ni2—Ni2ⁱⁱ	120.29 (3)	Ni2^xxv—Tb2—Ni2^ix	87.891 (17)
Ni4—Ni2—Ni2ⁱⁱ	120.28 (3)	Ni4^xv—Tb2—Ni2^xxvi	136.32 (4)
Ni3^vii—Ni2—Ni2ⁱⁱ	59.73 (3)	Ni4^xix—Tb2—Ni2^xxvi	48.48 (3)
Ni3—Ni2—Ni2ⁱⁱ	59.73 (3)	Ni4^xvii—Tb2—Ni2^xxvi	91.77 (4)
Ni2ⁱⁱⁱ—Ni2—Ni2ⁱⁱ	180.0	Ni3^xvii—Tb2—Ni2^xxvi	48.60 (3)
Ni2^iv—Ni2—Ni2ⁱⁱ	120.001 (1)	Ni3^xv—Tb2—Ni2^xxvi	91.78 (4)
Ni2ⁱ—Ni2—Ni2ⁱⁱ	60.0	Ni3^xxii—Tb2—Ni2^xxvi	136.45 (4)
Ni4^vii—Ni2—Tb2^viii	60.919 (16)	Ni2^xxiii—Tb2—Ni2^xxvi	106.52 (2)
Ni4—Ni2—Tb2^viii	119.12 (4)	Ni2^xxiv—Tb2—Ni2^xxvi	47.19 (6)
Ni3^vii—Ni2—Tb2^viii	60.876 (16)	Ni2^viii—Tb2—Ni2^xxvi	47.29 (6)
Ni3—Ni2—Tb2^viii	119.09 (4)	Ni2^xxv—Tb2—Ni2^xxvi	87.891 (17)
Ni2ⁱⁱⁱ—Ni2—Tb2^viii	113.64 (3)	Ni2^ix—Tb2—Ni2^xxvi	87.891 (17)
Ni2^iv—Ni2—Tb2^viii	66.40 (3)	Ni1—Ni4—Ni1ⁱⁱⁱ	61.06 (5)
Ni2ⁱ—Ni2—Tb2^viii	113.60 (3)	Ni1—Ni4—Ni1^iv	61.06 (5)
Ni2ⁱⁱ—Ni2—Tb2^viii	66.36 (3)	Ni1ⁱⁱⁱ—Ni4—Ni1^iv	61.06 (5)
Ni4^vii—Ni2—Tb2^v	119.12 (4)	Ni1—Ni4—Ni2	108.47 (4)
Ni4—Ni2—Tb2^v	60.918 (16)	Ni1ⁱⁱⁱ—Ni4—Ni2	146.016 (17)
Ni3^vii—Ni2—Tb2^v	119.09 (4)	Ni1^iv—Ni4—Ni2	146.016 (17)
Ni3—Ni2—Tb2^v	60.876 (16)	Ni1—Ni4—Ni2^iv	146.016 (17)
Ni2ⁱⁱⁱ—Ni2—Tb2^v	113.64 (3)	Ni1ⁱⁱⁱ—Ni4—Ni2^iv	146.015 (17)
Ni2^iv—Ni2—Tb2^v	66.40 (3)	Ni1^iv—Ni4—Ni2^iv	108.47 (4)
Ni2ⁱ—Ni2—Tb2^v	113.60 (3)	Ni2—Ni4—Ni2^iv	60.57 (6)
Ni2ⁱⁱ—Ni2—Tb2^v	66.36 (3)	Ni1—Ni4—Ni2ⁱⁱⁱ	146.015 (17)
Tb2^viii—Ni2—Tb2^v	73.48 (2)	Ni1ⁱⁱⁱ—Ni4—Ni2ⁱⁱⁱ	108.47 (4)
Ni4^vii—Ni2—Tb2^vi	119.12 (4)	Ni1^iv—Ni4—Ni2ⁱⁱⁱ	146.016 (17)
Ni4—Ni2—Tb2^vi	60.919 (16)	Ni2—Ni4—Ni2ⁱⁱⁱ	60.57 (6)
Ni3^vii—Ni2—Tb2^vi	119.09 (4)	Ni2^iv—Ni4—Ni2ⁱⁱⁱ	60.57 (6)
Ni3—Ni2—Tb2^vi	60.876 (16)	Ni1—Ni4—Ni3^xxvii	106.97 (4)
Ni2ⁱⁱⁱ—Ni2—Tb2^vi	66.40 (3)	Ni1ⁱⁱⁱ—Ni4—Ni3^xxvii	53.98 (4)
Ni2^iv—Ni2—Tb2^vi	113.64 (3)	Ni1^iv—Ni4—Ni3^xxvii	106.97 (4)
Ni2ⁱ—Ni2—Tb2^vi	66.36 (3)	Ni2—Ni4—Ni3^xxvii	107.02 (4)
Ni2ⁱⁱ—Ni2—Tb2^vi	113.60 (3)	Ni2^iv—Ni4—Ni3^xxvii	107.02 (4)
Tb2^viii—Ni2—Tb2^vi	179.95 (6)	Ni2ⁱⁱⁱ—Ni4—Ni3^xxvii	54.49 (5)
Tb2^v—Ni2—Tb2^vi	106.52 (2)	Ni1—Ni4—Ni3	53.98 (4)
Ni4^vii—Ni2—Tb2^ix	60.919 (16)	Ni1ⁱⁱⁱ—Ni4—Ni3	106.97 (4)
Ni4—Ni2—Tb2^ix	119.12 (4)	Ni1^iv—Ni4—Ni3	106.97 (4)
Ni3^vii—Ni2—Tb2^ix	60.877 (16)	Ni2—Ni4—Ni3	54.49 (5)
Ni3—Ni2—Tb2^ix	119.09 (4)	Ni2^iv—Ni4—Ni3	107.02 (4)
Ni2ⁱⁱⁱ—Ni2—Tb2^ix	66.40 (3)	Ni2ⁱⁱⁱ—Ni4—Ni3	107.02 (4)
Ni2^iv—Ni2—Tb2^ix	113.64 (3)	Ni3^xxvii—Ni4—Ni3	120.0
Ni2ⁱ—Ni2—Tb2^ix	66.36 (3)	Ni1—Ni4—Ni3^xxviii	106.97 (4)
Ni2ⁱⁱ—Ni2—Tb2^ix	113.60 (3)	Ni1ⁱⁱⁱ—Ni4—Ni3^xxviii	106.97 (4)
Tb2^viii—Ni2—Tb2^ix	106.52 (2)	Ni1^iv—Ni4—Ni3^xxviii	53.98 (4)
Tb2^v—Ni2—Tb2^ix	179.95 (6)	Ni2—Ni4—Ni3^xxviii	107.02 (4)
Tb2^vi—Ni2—Tb2^ix	73.48 (2)	Ni2^iv—Ni4—Ni3^xxviii	54.49 (5)
Ni1—Ni3—Ni1ⁱ	60.92 (5)	Ni2ⁱⁱⁱ—Ni4—Ni3^xxviii	107.02 (4)
Ni1—Ni3—Ni1ⁱⁱ	60.92 (5)	Ni3^xxvii—Ni4—Ni3^xxviii	120.0
Ni1ⁱ—Ni3—Ni1ⁱⁱ	60.92 (5)	Ni3—Ni4—Ni3^xxviii	120.0
Ni1—Ni3—Ni2ⁱ	146.063 (17)	Ni1—Ni4—Tb2^v	75.42 (2)
Ni1ⁱ—Ni3—Ni2ⁱ	108.58 (4)	Ni1ⁱⁱⁱ—Ni4—Tb2^v	128.83 (6)
Ni1ⁱⁱ—Ni3—Ni2ⁱ	146.064 (17)	Ni1^iv—Ni4—Tb2^v	75.42 (2)
Ni1—Ni3—Ni2ⁱⁱ	146.063 (17)	Ni2—Ni4—Tb2^v	70.60 (2)
Ni1ⁱ—Ni3—Ni2ⁱⁱ	146.063 (17)	Ni2^iv—Ni4—Tb2^v	70.60 (2)
Ni1ⁱⁱ—Ni3—Ni2ⁱⁱ	108.58 (4)	Ni2ⁱⁱⁱ—Ni4—Tb2^v	122.70 (6)
Ni2ⁱ—Ni3—Ni2ⁱⁱ	60.54 (6)	Ni3^xxvii—Ni4—Tb2^v	177.19 (7)
Ni1—Ni3—Ni2	108.58 (4)	Ni3—Ni4—Tb2^v	60.049 (2)
Ni1ⁱ—Ni3—Ni2	146.063 (17)	Ni3^xxviii—Ni4—Tb2^v	60.049 (2)
Ni1ⁱⁱ—Ni3—Ni2	146.063 (17)	Ni1—Ni4—Tb2^xxix	128.83 (6)
Ni2ⁱ—Ni3—Ni2	60.54 (6)	Ni1ⁱⁱⁱ—Ni4—Tb2^xxix	75.42 (2)
Ni2ⁱⁱ—Ni3—Ni2	60.54 (6)	Ni1^iv—Ni4—Tb2^xxix	75.42 (2)
Ni1—Ni3—Ni4^x	107.11 (4)	Ni2—Ni4—Tb2^xxix	122.70 (6)
Ni1ⁱ—Ni3—Ni4^x	54.28 (4)	Ni2^iv—Ni4—Tb2^xxix	70.60 (2)
Ni1ⁱⁱ—Ni3—Ni4^x	107.11 (4)	Ni2ⁱⁱⁱ—Ni4—Tb2^xxix	70.60 (2)
Ni2ⁱ—Ni3—Ni4^x	54.30 (5)	Ni3^xxvii—Ni4—Tb2^xxix	60.048 (2)
Ni2ⁱⁱ—Ni3—Ni4^x	106.83 (4)	Ni3—Ni4—Tb2^xxix	177.19 (7)
Ni2—Ni3—Ni4^x	106.83 (4)	Ni3^xxviii—Ni4—Tb2^xxix	60.049 (2)
Ni1—Ni3—Ni4^xi	107.11 (4)	Tb2^v—Ni4—Tb2^xxix	119.745 (6)
Ni1ⁱ—Ni3—Ni4^xi	107.11 (4)	Ni1—Ni4—Tb2^vi	75.42 (2)
Ni1ⁱⁱ—Ni3—Ni4^xi	54.28 (4)	Ni1ⁱⁱⁱ—Ni4—Tb2^vi	75.42 (2)
Ni2ⁱ—Ni3—Ni4^xi	106.83 (4)	Ni1^iv—Ni4—Tb2^vi	128.83 (6)
Ni2ⁱⁱ—Ni3—Ni4^xi	54.30 (5)	Ni2—Ni4—Tb2^vi	70.60 (2)
Ni2—Ni3—Ni4^xi	106.83 (4)	Ni2^iv—Ni4—Tb2^vi	122.70 (6)
Ni4^x—Ni3—Ni4^xi	120.0	Ni2ⁱⁱⁱ—Ni4—Tb2^vi	70.60 (2)
Ni1—Ni3—Ni4	54.28 (4)	Ni3^xxvii—Ni4—Tb2^vi	60.049 (2)
Ni1ⁱ—Ni3—Ni4	107.11 (4)	Ni3—Ni4—Tb2^vi	60.049 (2)
Ni1ⁱⁱ—Ni3—Ni4	107.11 (4)	Ni3^xxviii—Ni4—Tb2^vi	177.19 (7)
Ni2ⁱ—Ni3—Ni4	106.83 (4)	Tb2^v—Ni4—Tb2^vi	119.743 (6)
Ni2ⁱⁱ—Ni3—Ni4	106.83 (4)	Tb2^xxix—Ni4—Tb2^vi	119.743 (6)
Ni2—Ni3—Ni4	54.30 (5)	Ni1^xxx—Ni5—Ni1^xxxi	59.12 (4)
Ni4^x—Ni3—Ni4	120.0	Ni1^xxx—Ni5—Ni1^iv	120.88 (4)
Ni4^xi—Ni3—Ni4	120.0	Ni1^xxxi—Ni5—Ni1^iv	180.00 (2)
Ni1—Ni3—Tb2^v	75.55 (2)	Ni1^xxx—Ni5—Ni1ⁱⁱⁱ	120.88 (4)
Ni1ⁱ—Ni3—Tb2^v	128.85 (6)	Ni1^xxxi—Ni5—Ni1ⁱⁱⁱ	120.88 (4)
Ni1ⁱⁱ—Ni3—Tb2^v	75.55 (2)	Ni1^iv—Ni5—Ni1ⁱⁱⁱ	59.12 (4)
Ni2ⁱ—Ni3—Tb2^v	122.57 (6)	Ni1^xxx—Ni5—Ni1^xxxii	59.12 (4)
Ni2ⁱⁱ—Ni3—Tb2^v	70.52 (2)	Ni1^xxxi—Ni5—Ni1^xxxii	59.12 (4)
Ni2—Ni3—Tb2^v	70.52 (2)	Ni1^iv—Ni5—Ni1^xxxii	120.88 (4)
Ni4^x—Ni3—Tb2^v	176.87 (7)	Ni1ⁱⁱⁱ—Ni5—Ni1^xxxii	180.00 (2)
Ni4^xi—Ni3—Tb2^v	60.039 (2)	Ni1^xxx—Ni5—Ni1	180.0
Ni4—Ni3—Tb2^v	60.040 (2)	Ni1^xxxi—Ni5—Ni1	120.88 (4)
Ni1—Ni3—Tb2^xii	128.85 (6)	Ni1^iv—Ni5—Ni1	59.12 (4)
Ni1ⁱ—Ni3—Tb2^xii	75.55 (2)	Ni1ⁱⁱⁱ—Ni5—Ni1	59.12 (4)
Ni1ⁱⁱ—Ni3—Tb2^xii	75.55 (2)	Ni1^xxxii—Ni5—Ni1	120.88 (4)
Ni2ⁱ—Ni3—Tb2^xii	70.52 (2)	Ni1^xxx—Ni5—Tb1^xxxiii	61.922 (12)
Ni2ⁱⁱ—Ni3—Tb2^xii	70.52 (2)	Ni1^xxxi—Ni5—Tb1^xxxiii	61.922 (12)
Ni2—Ni3—Tb2^xii	122.57 (6)	Ni1^iv—Ni5—Tb1^xxxiii	118.078 (12)
Ni4^x—Ni3—Tb2^xii	60.039 (2)	Ni1ⁱⁱⁱ—Ni5—Tb1^xxxiii	68.92 (3)
Ni4^xi—Ni3—Tb2^xii	60.040 (2)	Ni1^xxxii—Ni5—Tb1^xxxiii	111.08 (3)
Ni4—Ni3—Tb2^xii	176.87 (7)	Ni1—Ni5—Tb1^xxxiii	118.078 (12)
Tb2^v—Ni3—Tb2^xii	119.725 (6)	Ni1^xxx—Ni5—Tb1^v	118.078 (12)
Ni1—Ni3—Tb2^vi	75.55 (2)	Ni1^xxxi—Ni5—Tb1^v	118.078 (12)
Ni1ⁱ—Ni3—Tb2^vi	75.55 (2)	Ni1^iv—Ni5—Tb1^v	61.922 (12)
Ni1ⁱⁱ—Ni3—Tb2^vi	128.85 (6)	Ni1ⁱⁱⁱ—Ni5—Tb1^v	111.08 (3)
Ni2ⁱ—Ni3—Tb2^vi	70.52 (2)	Ni1^xxxii—Ni5—Tb1^v	68.92 (3)
Ni2ⁱⁱ—Ni3—Tb2^vi	122.57 (6)	Ni1—Ni5—Tb1^v	61.922 (12)
Ni2—Ni3—Tb2^vi	70.52 (2)	Tb1^xxxiii—Ni5—Tb1^v	180.00 (2)
Ni4^x—Ni3—Tb2^vi	60.039 (2)	Ni1^xxx—Ni5—Tb1^vii	111.08 (3)
Ni4^xi—Ni3—Tb2^vi	176.87 (7)	Ni1^xxxi—Ni5—Tb1^vii	61.922 (12)
Ni4—Ni3—Tb2^vi	60.040 (2)	Ni1^iv—Ni5—Tb1^vii	118.078 (12)
Tb2^v—Ni3—Tb2^vi	119.725 (6)	Ni1ⁱⁱⁱ—Ni5—Tb1^vii	118.078 (12)
Tb2^xii—Ni3—Tb2^vi	119.724 (6)	Ni1^xxxii—Ni5—Tb1^vii	61.922 (12)
Ni1^xiii—Tb1—Ni1^xiv	51.68 (5)	Ni1—Ni5—Tb1^vii	68.92 (3)
Ni1^xiii—Tb1—Ni1^xv	98.43 (2)	Tb1^xxxiii—Ni5—Tb1^vii	114.616 (9)
Ni1^xiv—Tb1—Ni1^xv	52.01 (5)	Tb1^v—Ni5—Tb1^vii	65.384 (9)
Ni1^xiii—Tb1—Ni1^xvi	121.92 (4)	Ni1^xxx—Ni5—Tb1^xxix	68.92 (3)
Ni1^xiv—Tb1—Ni1^xvi	98.43 (2)	Ni1^xxxi—Ni5—Tb1^xxix	118.078 (12)
Ni1^xv—Tb1—Ni1^xvi	51.68 (5)	Ni1^iv—Ni5—Tb1^xxix	61.922 (12)
Ni1^xiii—Tb1—Ni1^xvii	52.01 (5)	Ni1ⁱⁱⁱ—Ni5—Tb1^xxix	61.922 (12)
Ni1^xiv—Tb1—Ni1^xvii	98.43 (2)	Ni1^xxxii—Ni5—Tb1^xxix	118.078 (12)
Ni1^xv—Tb1—Ni1^xvii	121.92 (4)	Ni1—Ni5—Tb1^xxix	111.08 (3)
Ni1^xvi—Tb1—Ni1^xvii	98.43 (2)	Tb1^xxxiii—Ni5—Tb1^xxix	65.384 (9)
Ni1^xiii—Tb1—Ni1^xviii	98.43 (2)	Tb1^v—Ni5—Tb1^xxix	114.616 (9)
Ni1^xiv—Tb1—Ni1^xviii	121.92 (4)	Tb1^vii—Ni5—Tb1^xxix	180.00 (2)
Ni1^xv—Tb1—Ni1^xviii	98.43 (2)	Ni1^xxx—Ni5—Tb1^vi	118.078 (12)
Ni1^xvi—Tb1—Ni1^xviii	52.01 (5)	Ni1^xxxi—Ni5—Tb1^vi	68.92 (3)
Ni1^xvii—Tb1—Ni1^xviii	51.68 (5)	Ni1^iv—Ni5—Tb1^vi	111.08 (3)
Ni1^xiii—Tb1—Ni5^xv	96.49 (2)	Ni1ⁱⁱⁱ—Ni5—Tb1^vi	61.922 (12)
Ni1^xiv—Tb1—Ni5^xv	51.64 (2)	Ni1^xxxii—Ni5—Tb1^vi	118.078 (12)
Ni1^xv—Tb1—Ni5^xv	51.64 (2)	Ni1—Ni5—Tb1^vi	61.922 (12)
Ni1^xvi—Tb1—Ni5^xv	96.49 (2)	Tb1^xxxiii—Ni5—Tb1^vi	65.385 (9)
Ni1^xvii—Tb1—Ni5^xv	148.32 (2)	Tb1^v—Ni5—Tb1^vi	114.615 (9)
Ni1^xviii—Tb1—Ni5^xv	148.32 (2)	Tb1^vii—Ni5—Tb1^vi	65.385 (9)
Ni1^xiii—Tb1—Ni5^xix	148.32 (2)	Tb1^xxix—Ni5—Tb1^vi	114.615 (9)
Ni1^xiv—Tb1—Ni5^xix	148.32 (2)	Ni1^xxx—Ni5—Tb1^xxxiv	61.922 (12)
Ni1^xv—Tb1—Ni5^xix	96.49 (2)	Ni1^xxxi—Ni5—Tb1^xxxiv	111.08 (3)
Ni1^xvi—Tb1—Ni5^xix	51.64 (2)	Ni1^iv—Ni5—Tb1^xxxiv	68.92 (3)
Ni1^xvii—Tb1—Ni5^xix	96.49 (2)	Ni1ⁱⁱⁱ—Ni5—Tb1^xxxiv	118.078 (12)
Ni1^xviii—Tb1—Ni5^xix	51.64 (2)	Ni1^xxxii—Ni5—Tb1^xxxiv	61.922 (12)
Ni5^xv—Tb1—Ni5^xix	114.616 (9)	Ni1—Ni5—Tb1^xxxiv	118.078 (12)
Ni1^xiii—Tb1—Ni5^xvii	51.64 (2)	Tb1^xxxiii—Ni5—Tb1^xxxiv	114.615 (9)
Ni1^xiv—Tb1—Ni5^xvii	96.49 (2)	Tb1^v—Ni5—Tb1^xxxiv	65.385 (9)
Ni1^xv—Tb1—Ni5^xvii	148.32 (2)	Tb1^vii—Ni5—Tb1^xxxiv	114.615 (9)
Ni1^xvi—Tb1—Ni5^xvii	148.32 (2)	Tb1^xxix—Ni5—Tb1^xxxiv	65.385 (9)
Ni1^xvii—Tb1—Ni5^xvii	51.64 (2)	Tb1^vi—Ni5—Tb1^xxxiv	180.00 (2)

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

Experimental details

Crystal data
Chemical formula	Tb_1.96Ni₇
M_r	722.72
Crystal system, space group	Hexagonal, P6₃/mmc
Temperature (K)	293
a, c (Å)	4.944 (1), 24.129 (6)
V (Å³)	510.8 (2)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	51.78
Crystal size (mm)	0.05 × 0.04 × 0.04

Data collection
Diffractometer	Bruker SMART CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2007)
T_min, T_max	0.50, 0.74
No. of measured, independent and observed [I > 2σ(I)] reflections	7652, 422, 313
R_int	0.073
(sin θ/λ)_max (Å⁻¹)	0.761

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.025, 0.041, 1.07
No. of reflections	422
No. of parameters	27
Δρ_max, Δρ_min (e Å⁻³)	1.51, −1.76

Computer programs: SMART (Bruker, 2007), SAINT (Bruker, 2007), SIR2011 (Burla et al., 2012), SHELXL2013 (Sheldrick, 2008) and WinGX (Farrugia, 2012), DIAMOND (Brandenburg, 2006), publCIF (Westrip, 2010).

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