Tb2–xNdxZn17–yNiy (x = 0.5, y = 4.83): a new inter­metallic with a maximum disordered structure and its hydro­gen storage properties

Nytka, V.; Kordan, V.; Stetskiv, A.; Pavlyuk, V.

doi:10.1107/S2053229623004369

Tb_2–xNd_xZn_17–yNi_y (x = 0.5, y = 4.83): a new intermetallic with a maximum disordered structure and its hydrogen storage properties

V. Nytka, V. Kordan, A. Stetskiv and V. Pavlyuk

The ternary Tb_2–xNd_xZn_17–yNi_y (x = 0.5, y = 4.83) disordered phase belongs to the structural family based on the rhombohedral Th₂Zn₁₇ structure type. The structure is maximally disordered since all the sites are occupied by statistical mixtures of atoms. The Tb/Nd mixture of atoms occupies the 6c site (site symmetry 3m). The statistical mixtures Ni/Zn consisting of more Ni atoms are located in the 6c and 9d (symmetry .2/m) sites. In the following 18f (site symmetry .2) and 18h (site symmetry .m) sites are located Zn/Ni statistical mixtures which consist of more Zn atoms. Zn/Ni atoms form three-dimensional networks with hexagonal channels that fill statistical mixtures of Tb/Nd and Ni/Zn. The Tb_2–xNd_xZn_17–yNi_y compound belongs to the family of intermetallic phases capable of absorbing hydrogen. In the structure, there are three types of voids, namely, 9e (site symmetry .2/m), 3b (site symmetry $\overline{3}$ m) and 36i (site symmetry 1), in which hydrogen can be inserted, and the maximum total absorption capacity can reach 1.21 wt% H₂. Electrochemical hydrogenation shows that the phase absorbs 1.03% of H₂, which indicates partial filling of the voids with H atoms.

Keywords: hydrogen storage; crystal structure; disordered structure; intermetallic compound; hydride; terbium; neodymium; zinc; nickel.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229623004369/yp3229sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S2053229623004369/yp3229Isup2.hkl Contains datablock I

CCDC reference: 2264171

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2008); cell refinement: CrysAlis CCD (Oxford Diffraction, 2008); data reduction: CrysAlis RED (Oxford Diffraction, 2008); program(s) used to solve structure: SHELXS2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015b) and publCIF (Westrip, 2010).

(I) top

Crystal data top

Tb_1.51Nd_0.51Zn_12.17Ni_4.83	D_x = 7.354 Mg m⁻³ D_m = 7.34 (3) Mg m⁻³ D_m measured by volumetric
M_r = 1389.69	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3m:H	Cell parameters from 2378 reflections
a = 9.0637 (5) Å	θ = 3.0–27.4°
c = 13.2319 (10) Å	µ = 40.11 mm⁻¹
V = 941.38 (13) Å³	T = 293 K
Z = 3	Plate, metallic dark grey
F(000) = 1884	0.06 × 0.04 × 0.01 mm

Data collection top

Oxford Diffraction Xcalibur3 CCD diffractometer	176 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.162
ω scans	θ_max = 27.4°, θ_min = 3.0°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008)	h = −11→11
T_min = 0.563, T_max = 0.782	k = −11→11
2378 measured reflections	l = −17→17
285 independent reflections

Refinement top

Refinement on F²	22 parameters
Least-squares matrix: full	0 restraints
R[F² > 2σ(F²)] = 0.046	w = 1/[σ²(F_o²) + (0.0421P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.096	(Δ/σ)_max < 0.001
S = 0.90	Δρ_max = 2.23 e Å⁻³
285 reflections	Δρ_min = −2.04 e Å⁻³

Special details top

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 (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Tb1	0.0000	0.0000	0.33629 (16)	0.0100 (5)	0.7522
Nd1	0.0000	0.0000	0.33629 (16)	0.0100 (5)	0.2478
Ni2	0.0000	0.0000	0.1031 (4)	0.0105 (11)	0.851
Zn2	0.0000	0.0000	0.1031 (4)	0.0105 (11)	0.149
Ni3	0.5000	0.0000	0.5000	0.0105 (8)	0.8741
Zn3	0.5000	0.0000	0.5000	0.0105 (8)	0.1259
Ni4	0.2964 (3)	0.0000	0.0000	0.0156 (8)	0.0292
Zn4	0.2964 (3)	0.0000	0.0000	0.0156 (8)	0.9708
Ni5	0.49940 (18)	0.50060 (18)	0.1518 (2)	0.0149 (7)	0.0545
Zn5	0.49940 (18)	0.50060 (18)	0.1518 (2)	0.0149 (7)	0.9455

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Tb1	0.0113 (6)	0.0113 (6)	0.0074 (11)	0.0056 (3)	0.000	0.000
Nd1	0.0113 (6)	0.0113 (6)	0.0074 (11)	0.0056 (3)	0.000	0.000
Ni2	0.0106 (15)	0.0106 (15)	0.010 (3)	0.0053 (8)	0.000	0.000
Zn2	0.0106 (15)	0.0106 (15)	0.010 (3)	0.0053 (8)	0.000	0.000
Ni3	0.0107 (14)	0.015 (2)	0.0075 (18)	0.0074 (11)	0.0021 (8)	0.0042 (16)
Zn3	0.0107 (14)	0.015 (2)	0.0075 (18)	0.0074 (11)	0.0021 (8)	0.0042 (16)
Ni4	0.0196 (13)	0.0142 (13)	0.0112 (14)	0.0071 (7)	0.0005 (5)	0.0010 (11)
Zn4	0.0196 (13)	0.0142 (13)	0.0112 (14)	0.0071 (7)	0.0005 (5)	0.0010 (11)
Ni5	0.0129 (10)	0.0129 (10)	0.0159 (14)	0.0041 (11)	−0.0009 (6)	0.0009 (6)
Zn5	0.0129 (10)	0.0129 (10)	0.0159 (14)	0.0041 (11)	−0.0009 (6)	0.0009 (6)

Geometric parameters (Å, º) top

Tb1—Ni2	3.085 (5)	Ni3—Ni4ⁱⁱ	2.5984 (5)
Tb1—Zn4ⁱ	3.2020 (16)	Ni3—Zn5^xii	2.6285 (14)
Tb1—Zn4ⁱⁱ	3.2020 (16)	Ni3—Zn5ⁱⁱ	2.6285 (14)
Tb1—Ni4ⁱ	3.2020 (16)	Ni3—Ni5^xii	2.6285 (14)
Tb1—Ni4ⁱⁱ	3.2020 (16)	Ni3—Ni5ⁱⁱ	2.6285 (14)
Tb1—Zn4ⁱⁱⁱ	3.2021 (16)	Ni4—Zn3^viii	2.5984 (5)
Tb1—Ni4ⁱⁱⁱ	3.2021 (16)	Ni4—Ni3^viii	2.5984 (5)
Tb1—Zn4^iv	3.2021 (16)	Ni4—Zn3^xiii	2.5984 (5)
Tb1—Ni4^iv	3.2021 (16)	Ni4—Ni3^xiii	2.5984 (5)
Tb1—Zn4^v	3.2021 (16)	Ni4—Zn4^xiv	2.686 (3)
Tb1—Ni4^v	3.2021 (16)	Ni4—Ni4^xiv	2.686 (3)
Ni2—Zn2^vi	2.729 (10)	Ni4—Zn4^xv	2.686 (3)
Ni2—Ni2^vi	2.729 (10)	Ni4—Ni4^xv	2.686 (3)
Ni2—Zn3^vii	2.7482 (16)	Ni4—Zn5^xvi	2.727 (3)
Ni2—Ni3^vii	2.7482 (16)	Ni4—Ni5^xvi	2.727 (3)
Ni2—Zn3^viii	2.7483 (16)	Ni4—Zn5^xiv	2.727 (3)
Ni2—Ni3^viii	2.7483 (16)	Ni4—Ni5^xiv	2.727 (3)
Ni2—Zn3^ix	2.7483 (16)	Ni5—Zn3^xvii	2.6286 (14)
Ni2—Ni3^ix	2.7483 (16)	Ni5—Ni3^xvii	2.6286 (14)
Ni2—Zn5^iv	2.824 (4)	Ni5—Zn3^viii	2.6286 (14)
Ni2—Ni5^iv	2.824 (4)	Ni5—Ni3^viii	2.6286 (14)
Ni2—Zn5^v	2.824 (4)	Ni5—Zn5^xviii	2.637 (3)
Ni2—Ni5^v	2.824 (4)	Ni5—Ni5^xviii	2.637 (3)
Ni3—Zn4^x	2.5984 (5)	Ni5—Zn5^v	2.637 (3)
Ni3—Zn4^xi	2.5984 (5)	Ni5—Ni5^v	2.637 (3)
Ni3—Ni4^x	2.5984 (5)	Ni5—Zn4^xv	2.727 (3)
Ni3—Ni4^xi	2.5984 (5)	Ni5—Ni4^xv	2.727 (3)
Ni3—Zn4^xii	2.5984 (5)	Ni5—Zn4^xix	2.727 (3)
Ni3—Zn4ⁱⁱ	2.5984 (5)	Ni5—Ni4^xix	2.727 (3)
Ni3—Ni4^xii	2.5984 (5)

Ni2—Tb1—Zn4ⁱ	89.30 (4)	Ni4^xi—Ni3—Zn5ⁱⁱ	117.10 (8)
Ni2—Tb1—Zn4ⁱⁱ	89.30 (4)	Zn4^xii—Ni3—Zn5ⁱⁱ	63.96 (6)
Zn4ⁱ—Tb1—Zn4ⁱⁱ	70.39 (8)	Zn4ⁱⁱ—Ni3—Zn5ⁱⁱ	116.04 (6)
Ni2—Tb1—Ni4ⁱ	89.30 (4)	Ni4^xii—Ni3—Zn5ⁱⁱ	63.96 (6)
Zn4ⁱ—Tb1—Ni4ⁱ	0.0	Ni4ⁱⁱ—Ni3—Zn5ⁱⁱ	116.04 (6)
Zn4ⁱⁱ—Tb1—Ni4ⁱ	70.4	Zn5^xii—Ni3—Zn5ⁱⁱ	180.0
Ni2—Tb1—Ni4ⁱⁱ	89.30 (4)	Zn4^x—Ni3—Ni5^xii	117.10 (8)
Zn4ⁱ—Tb1—Ni4ⁱⁱ	70.4	Zn4^xi—Ni3—Ni5^xii	62.90 (8)
Zn4ⁱⁱ—Tb1—Ni4ⁱⁱ	0.0	Ni4^x—Ni3—Ni5^xii	117.10 (8)
Ni4ⁱ—Tb1—Ni4ⁱⁱ	70.39 (8)	Ni4^xi—Ni3—Ni5^xii	62.90 (8)
Ni2—Tb1—Zn4ⁱⁱⁱ	89.30 (4)	Zn4^xii—Ni3—Ni5^xii	116.04 (6)
Zn4ⁱ—Tb1—Zn4ⁱⁱⁱ	49.60 (8)	Zn4ⁱⁱ—Ni3—Ni5^xii	63.96 (6)
Zn4ⁱⁱ—Tb1—Zn4ⁱⁱⁱ	119.986 (2)	Ni4^xii—Ni3—Ni5^xii	116.04 (6)
Ni4ⁱ—Tb1—Zn4ⁱⁱⁱ	49.60 (8)	Ni4ⁱⁱ—Ni3—Ni5^xii	63.96 (6)
Ni4ⁱⁱ—Tb1—Zn4ⁱⁱⁱ	119.986 (2)	Zn5^xii—Ni3—Ni5^xii	0.0
Ni2—Tb1—Ni4ⁱⁱⁱ	89.30 (4)	Zn5ⁱⁱ—Ni3—Ni5^xii	180.0
Zn4ⁱ—Tb1—Ni4ⁱⁱⁱ	49.6	Zn4^x—Ni3—Ni5ⁱⁱ	62.90 (8)
Zn4ⁱⁱ—Tb1—Ni4ⁱⁱⁱ	120.0	Zn4^xi—Ni3—Ni5ⁱⁱ	117.10 (8)
Ni4ⁱ—Tb1—Ni4ⁱⁱⁱ	49.60 (8)	Ni4^x—Ni3—Ni5ⁱⁱ	62.90 (8)
Ni4ⁱⁱ—Tb1—Ni4ⁱⁱⁱ	119.986 (2)	Ni4^xi—Ni3—Ni5ⁱⁱ	117.10 (8)
Zn4ⁱⁱⁱ—Tb1—Ni4ⁱⁱⁱ	0.0	Zn4^xii—Ni3—Ni5ⁱⁱ	63.96 (6)
Ni2—Tb1—Zn4^iv	89.30 (4)	Zn4ⁱⁱ—Ni3—Ni5ⁱⁱ	116.04 (6)
Zn4ⁱ—Tb1—Zn4^iv	119.986 (2)	Ni4^xii—Ni3—Ni5ⁱⁱ	63.96 (6)
Zn4ⁱⁱ—Tb1—Zn4^iv	49.60 (8)	Ni4ⁱⁱ—Ni3—Ni5ⁱⁱ	116.04 (6)
Ni4ⁱ—Tb1—Zn4^iv	119.986 (2)	Zn5^xii—Ni3—Ni5ⁱⁱ	180.0
Ni4ⁱⁱ—Tb1—Zn4^iv	49.60 (8)	Zn5ⁱⁱ—Ni3—Ni5ⁱⁱ	0.0
Zn4ⁱⁱⁱ—Tb1—Zn4^iv	169.51 (8)	Ni5^xii—Ni3—Ni5ⁱⁱ	180.0
Ni4ⁱⁱⁱ—Tb1—Zn4^iv	169.51 (8)	Zn3^viii—Ni4—Ni3^viii	0.0
Ni2—Tb1—Ni4^iv	89.30 (4)	Zn3^viii—Ni4—Zn3^xiii	161.38 (12)
Zn4ⁱ—Tb1—Ni4^iv	120.0	Ni3^viii—Ni4—Zn3^xiii	161.38 (12)
Zn4ⁱⁱ—Tb1—Ni4^iv	49.6	Zn3^viii—Ni4—Ni3^xiii	161.4
Ni4ⁱ—Tb1—Ni4^iv	119.986 (2)	Ni3^viii—Ni4—Ni3^xiii	161.38 (12)
Ni4ⁱⁱ—Tb1—Ni4^iv	49.60 (8)	Zn3^xiii—Ni4—Ni3^xiii	0.0
Zn4ⁱⁱⁱ—Tb1—Ni4^iv	169.5	Zn3^viii—Ni4—Zn4^xiv	110.80 (4)
Ni4ⁱⁱⁱ—Tb1—Ni4^iv	169.51 (8)	Ni3^viii—Ni4—Zn4^xiv	110.80 (4)
Zn4^iv—Tb1—Ni4^iv	0.0	Zn3^xiii—Ni4—Zn4^xiv	58.87 (3)
Ni2—Tb1—Zn4^v	89.30 (4)	Ni3^xiii—Ni4—Zn4^xiv	58.87 (3)
Zn4ⁱ—Tb1—Zn4^v	119.985 (2)	Zn3^viii—Ni4—Ni4^xiv	110.80 (4)
Zn4ⁱⁱ—Tb1—Zn4^v	169.51 (8)	Ni3^viii—Ni4—Ni4^xiv	110.80 (4)
Ni4ⁱ—Tb1—Zn4^v	119.985 (2)	Zn3^xiii—Ni4—Ni4^xiv	58.87 (3)
Ni4ⁱⁱ—Tb1—Zn4^v	169.51 (8)	Ni3^xiii—Ni4—Ni4^xiv	58.87 (3)
Zn4ⁱⁱⁱ—Tb1—Zn4^v	70.39 (8)	Zn4^xiv—Ni4—Ni4^xiv	0.0
Ni4ⁱⁱⁱ—Tb1—Zn4^v	70.39 (8)	Zn3^viii—Ni4—Zn4^xv	58.87 (3)
Zn4^iv—Tb1—Zn4^v	119.984 (2)	Ni3^viii—Ni4—Zn4^xv	58.87 (3)
Ni4^iv—Tb1—Zn4^v	119.984 (2)	Zn3^xiii—Ni4—Zn4^xv	110.80 (4)
Ni2—Tb1—Ni4^v	89.30 (4)	Ni3^xiii—Ni4—Zn4^xv	110.80 (4)
Zn4ⁱ—Tb1—Ni4^v	120.0	Zn4^xiv—Ni4—Zn4^xv	120.0
Zn4ⁱⁱ—Tb1—Ni4^v	169.5	Ni4^xiv—Ni4—Zn4^xv	120.0
Ni4ⁱ—Tb1—Ni4^v	119.985 (2)	Zn3^viii—Ni4—Ni4^xv	58.87 (3)
Ni4ⁱⁱ—Tb1—Ni4^v	169.51 (8)	Ni3^viii—Ni4—Ni4^xv	58.87 (3)
Zn4ⁱⁱⁱ—Tb1—Ni4^v	70.4	Zn3^xiii—Ni4—Ni4^xv	110.80 (4)
Ni4ⁱⁱⁱ—Tb1—Ni4^v	70.39 (8)	Ni3^xiii—Ni4—Ni4^xv	110.80 (4)
Zn4^iv—Tb1—Ni4^v	120.0	Zn4^xiv—Ni4—Ni4^xv	120.0
Ni4^iv—Tb1—Ni4^v	119.984 (2)	Ni4^xiv—Ni4—Ni4^xv	120.0
Zn4^v—Tb1—Ni4^v	0.0	Zn4^xv—Ni4—Ni4^xv	0.0
Zn2^vi—Ni2—Ni2^vi	0.0	Zn3^viii—Ni4—Zn5^xvi	59.09 (5)
Zn2^vi—Ni2—Zn3^vii	107.82 (10)	Ni3^viii—Ni4—Zn5^xvi	59.09 (5)
Ni2^vi—Ni2—Zn3^vii	107.82 (10)	Zn3^xiii—Ni4—Zn5^xvi	137.11 (9)
Zn2^vi—Ni2—Ni3^vii	107.82 (10)	Ni3^xiii—Ni4—Zn5^xvi	137.11 (9)
Ni2^vi—Ni2—Ni3^vii	107.82 (10)	Zn4^xiv—Ni4—Zn5^xvi	109.59 (6)
Zn3^vii—Ni2—Ni3^vii	0.0	Ni4^xiv—Ni4—Zn5^xvi	109.59 (6)
Zn2^vi—Ni2—Zn3^viii	107.82 (10)	Zn4^xv—Ni4—Zn5^xvi	109.96 (6)
Ni2^vi—Ni2—Zn3^viii	107.82 (10)	Ni4^xv—Ni4—Zn5^xvi	109.96 (6)
Zn3^vii—Ni2—Zn3^viii	111.07 (9)	Zn3^viii—Ni4—Ni5^xvi	59.09 (5)
Ni3^vii—Ni2—Zn3^viii	111.07 (9)	Ni3^viii—Ni4—Ni5^xvi	59.09 (5)
Zn2^vi—Ni2—Ni3^viii	107.82 (10)	Zn3^xiii—Ni4—Ni5^xvi	137.11 (9)
Ni2^vi—Ni2—Ni3^viii	107.82 (10)	Ni3^xiii—Ni4—Ni5^xvi	137.11 (9)
Zn3^vii—Ni2—Ni3^viii	111.1	Zn4^xiv—Ni4—Ni5^xvi	109.59 (6)
Ni3^vii—Ni2—Ni3^viii	111.07 (9)	Ni4^xiv—Ni4—Ni5^xvi	109.59 (6)
Zn3^viii—Ni2—Ni3^viii	0.0	Zn4^xv—Ni4—Ni5^xvi	109.96 (6)
Zn2^vi—Ni2—Zn3^ix	107.82 (10)	Ni4^xv—Ni4—Ni5^xvi	109.96 (6)
Ni2^vi—Ni2—Zn3^ix	107.82 (10)	Zn5^xvi—Ni4—Ni5^xvi	0.0
Zn3^vii—Ni2—Zn3^ix	111.07 (9)	Zn3^viii—Ni4—Zn5^xiv	137.11 (9)
Ni3^vii—Ni2—Zn3^ix	111.07 (9)	Ni3^viii—Ni4—Zn5^xiv	137.11 (9)
Zn3^viii—Ni2—Zn3^ix	111.07 (9)	Zn3^xiii—Ni4—Zn5^xiv	59.09 (5)
Ni3^viii—Ni2—Zn3^ix	111.07 (9)	Ni3^xiii—Ni4—Zn5^xiv	59.09 (5)
Zn2^vi—Ni2—Ni3^ix	107.82 (10)	Zn4^xiv—Ni4—Zn5^xiv	109.96 (6)
Ni2^vi—Ni2—Ni3^ix	107.82 (10)	Ni4^xiv—Ni4—Zn5^xiv	109.96 (6)
Zn3^vii—Ni2—Ni3^ix	111.1	Zn4^xv—Ni4—Zn5^xiv	109.59 (6)
Ni3^vii—Ni2—Ni3^ix	111.07 (9)	Ni4^xv—Ni4—Zn5^xiv	109.59 (6)
Zn3^viii—Ni2—Ni3^ix	111.1	Zn5^xvi—Ni4—Zn5^xiv	94.84 (11)
Ni3^viii—Ni2—Ni3^ix	111.07 (9)	Ni5^xvi—Ni4—Zn5^xiv	94.84 (11)
Zn3^ix—Ni2—Ni3^ix	0.0	Zn3^viii—Ni4—Ni5^xiv	137.11 (9)
Zn2^vi—Ni2—Zn5^iv	111.57 (12)	Ni3^viii—Ni4—Ni5^xiv	137.11 (9)
Ni2^vi—Ni2—Zn5^iv	111.57 (12)	Zn3^xiii—Ni4—Ni5^xiv	59.09 (5)
Zn3^vii—Ni2—Zn5^iv	140.6 (2)	Ni3^xiii—Ni4—Ni5^xiv	59.09 (5)
Ni3^vii—Ni2—Zn5^iv	140.6 (2)	Zn4^xiv—Ni4—Ni5^xiv	109.96 (6)
Zn3^viii—Ni2—Zn5^iv	56.28 (4)	Ni4^xiv—Ni4—Ni5^xiv	109.96 (6)
Ni3^viii—Ni2—Zn5^iv	56.28 (4)	Zn4^xv—Ni4—Ni5^xiv	109.59 (6)
Zn3^ix—Ni2—Zn5^iv	56.28 (4)	Ni4^xv—Ni4—Ni5^xiv	109.59 (6)
Ni3^ix—Ni2—Zn5^iv	56.28 (4)	Zn5^xvi—Ni4—Ni5^xiv	94.8
Zn2^vi—Ni2—Ni5^iv	111.57 (12)	Ni5^xvi—Ni4—Ni5^xiv	94.84 (11)
Ni2^vi—Ni2—Ni5^iv	111.57 (12)	Zn5^xiv—Ni4—Ni5^xiv	0.0
Zn3^vii—Ni2—Ni5^iv	140.6 (2)	Zn3^xvii—Ni5—Ni3^xvii	0.0
Ni3^vii—Ni2—Ni5^iv	140.6 (2)	Zn3^xvii—Ni5—Zn3^viii	119.09 (11)
Zn3^viii—Ni2—Ni5^iv	56.28 (4)	Ni3^xvii—Ni5—Zn3^viii	119.09 (11)
Ni3^viii—Ni2—Ni5^iv	56.28 (4)	Zn3^xvii—Ni5—Ni3^viii	119.1
Zn3^ix—Ni2—Ni5^iv	56.28 (4)	Ni3^xvii—Ni5—Ni3^viii	119.09 (11)
Ni3^ix—Ni2—Ni5^iv	56.28 (4)	Zn3^viii—Ni5—Ni3^viii	0.0
Zn5^iv—Ni2—Ni5^iv	0.0	Zn3^xvii—Ni5—Zn5^xviii	59.90 (5)
Zn2^vi—Ni2—Zn5^v	111.57 (12)	Ni3^xvii—Ni5—Zn5^xviii	59.90 (5)
Ni2^vi—Ni2—Zn5^v	111.57 (12)	Zn3^viii—Ni5—Zn5^xviii	167.10 (17)
Zn3^vii—Ni2—Zn5^v	56.28 (4)	Ni3^viii—Ni5—Zn5^xviii	167.10 (17)
Ni3^vii—Ni2—Zn5^v	56.28 (4)	Zn3^xvii—Ni5—Ni5^xviii	59.90 (5)
Zn3^viii—Ni2—Zn5^v	56.28 (4)	Ni3^xvii—Ni5—Ni5^xviii	59.90 (5)
Ni3^viii—Ni2—Zn5^v	56.28 (4)	Zn3^viii—Ni5—Ni5^xviii	167.10 (17)
Zn3^ix—Ni2—Zn5^v	140.6 (2)	Ni3^viii—Ni5—Ni5^xviii	167.10 (17)
Ni3^ix—Ni2—Zn5^v	140.6 (2)	Zn5^xviii—Ni5—Ni5^xviii	0.0
Zn5^iv—Ni2—Zn5^v	107.29 (13)	Zn3^xvii—Ni5—Zn5^v	167.10 (17)
Ni5^iv—Ni2—Zn5^v	107.29 (13)	Ni3^xvii—Ni5—Zn5^v	167.10 (17)
Zn2^vi—Ni2—Ni5^v	111.57 (12)	Zn3^viii—Ni5—Zn5^v	59.90 (5)
Ni2^vi—Ni2—Ni5^v	111.57 (12)	Ni3^viii—Ni5—Zn5^v	59.90 (5)
Zn3^vii—Ni2—Ni5^v	56.28 (4)	Zn5^xviii—Ni5—Zn5^v	117.80 (6)
Ni3^vii—Ni2—Ni5^v	56.28 (4)	Ni5^xviii—Ni5—Zn5^v	117.80 (6)
Zn3^viii—Ni2—Ni5^v	56.28 (4)	Zn3^xvii—Ni5—Ni5^v	167.10 (17)
Ni3^viii—Ni2—Ni5^v	56.28 (4)	Ni3^xvii—Ni5—Ni5^v	167.10 (17)
Zn3^ix—Ni2—Ni5^v	140.6 (2)	Zn3^viii—Ni5—Ni5^v	59.90 (5)
Ni3^ix—Ni2—Ni5^v	140.6 (2)	Ni3^viii—Ni5—Ni5^v	59.90 (5)
Zn5^iv—Ni2—Ni5^v	107.3	Zn5^xviii—Ni5—Ni5^v	117.8
Ni5^iv—Ni2—Ni5^v	107.29 (13)	Ni5^xviii—Ni5—Ni5^v	117.80 (6)
Zn5^v—Ni2—Ni5^v	0.0	Zn5^v—Ni5—Ni5^v	0.0
Zn4^x—Ni3—Zn4^xi	180.0	Zn3^xvii—Ni5—Zn4^xv	129.55 (11)
Zn4^x—Ni3—Ni4^x	0.0	Ni3^xvii—Ni5—Zn4^xv	129.55 (11)
Zn4^xi—Ni3—Ni4^x	180.0	Zn3^viii—Ni5—Zn4^xv	58.01 (4)
Zn4^x—Ni3—Ni4^xi	180.0	Ni3^viii—Ni5—Zn4^xv	58.01 (4)
Zn4^xi—Ni3—Ni4^xi	0.0	Zn5^xviii—Ni5—Zn4^xv	133.72 (14)
Ni4^x—Ni3—Ni4^xi	180.0	Ni5^xviii—Ni5—Zn4^xv	133.72 (14)
Zn4^x—Ni3—Zn4^xii	117.75 (6)	Zn5^v—Ni5—Zn4^xv	62.12 (9)
Zn4^xi—Ni3—Zn4^xii	62.25 (6)	Ni5^v—Ni5—Zn4^xv	62.12 (9)
Ni4^x—Ni3—Zn4^xii	117.75 (6)	Zn3^xvii—Ni5—Ni4^xv	129.55 (11)
Ni4^xi—Ni3—Zn4^xii	62.25 (6)	Ni3^xvii—Ni5—Ni4^xv	129.55 (11)
Zn4^x—Ni3—Zn4ⁱⁱ	62.25 (6)	Zn3^viii—Ni5—Ni4^xv	58.01 (4)
Zn4^xi—Ni3—Zn4ⁱⁱ	117.75 (6)	Ni3^viii—Ni5—Ni4^xv	58.01 (4)
Ni4^x—Ni3—Zn4ⁱⁱ	62.25 (6)	Zn5^xviii—Ni5—Ni4^xv	133.72 (14)
Ni4^xi—Ni3—Zn4ⁱⁱ	117.75 (6)	Ni5^xviii—Ni5—Ni4^xv	133.72 (14)
Zn4^xii—Ni3—Zn4ⁱⁱ	180.0	Zn5^v—Ni5—Ni4^xv	62.12 (9)
Zn4^x—Ni3—Ni4^xii	117.7	Ni5^v—Ni5—Ni4^xv	62.12 (9)
Zn4^xi—Ni3—Ni4^xii	62.3	Zn4^xv—Ni5—Ni4^xv	0.0
Ni4^x—Ni3—Ni4^xii	117.75 (6)	Zn3^xvii—Ni5—Zn4^xix	58.01 (4)
Ni4^xi—Ni3—Ni4^xii	62.25 (6)	Ni3^xvii—Ni5—Zn4^xix	58.01 (4)
Zn4^xii—Ni3—Ni4^xii	0.0	Zn3^viii—Ni5—Zn4^xix	129.55 (11)
Zn4ⁱⁱ—Ni3—Ni4^xii	180.0	Ni3^viii—Ni5—Zn4^xix	129.55 (11)
Zn4^x—Ni3—Ni4ⁱⁱ	62.3	Zn5^xviii—Ni5—Zn4^xix	62.12 (9)
Zn4^xi—Ni3—Ni4ⁱⁱ	117.7	Ni5^xviii—Ni5—Zn4^xix	62.12 (9)
Ni4^x—Ni3—Ni4ⁱⁱ	62.25 (6)	Zn5^v—Ni5—Zn4^xix	133.72 (14)
Ni4^xi—Ni3—Ni4ⁱⁱ	117.75 (6)	Ni5^v—Ni5—Zn4^xix	133.72 (14)
Zn4^xii—Ni3—Ni4ⁱⁱ	180.0	Zn4^xv—Ni5—Zn4^xix	85.16 (11)
Zn4ⁱⁱ—Ni3—Ni4ⁱⁱ	0.0	Ni4^xv—Ni5—Zn4^xix	85.16 (11)
Ni4^xii—Ni3—Ni4ⁱⁱ	180.0	Zn3^xvii—Ni5—Ni4^xix	58.01 (4)
Zn4^x—Ni3—Zn5^xii	117.10 (8)	Ni3^xvii—Ni5—Ni4^xix	58.01 (4)
Zn4^xi—Ni3—Zn5^xii	62.90 (8)	Zn3^viii—Ni5—Ni4^xix	129.55 (11)
Ni4^x—Ni3—Zn5^xii	117.10 (8)	Ni3^viii—Ni5—Ni4^xix	129.55 (11)
Ni4^xi—Ni3—Zn5^xii	62.90 (8)	Zn5^xviii—Ni5—Ni4^xix	62.12 (9)
Zn4^xii—Ni3—Zn5^xii	116.04 (6)	Ni5^xviii—Ni5—Ni4^xix	62.12 (9)
Zn4ⁱⁱ—Ni3—Zn5^xii	63.96 (6)	Zn5^v—Ni5—Ni4^xix	133.72 (14)
Ni4^xii—Ni3—Zn5^xii	116.04 (6)	Ni5^v—Ni5—Ni4^xix	133.72 (14)
Ni4ⁱⁱ—Ni3—Zn5^xii	63.96 (6)	Zn4^xv—Ni5—Ni4^xix	85.2
Zn4^x—Ni3—Zn5ⁱⁱ	62.90 (8)	Ni4^xv—Ni5—Ni4^xix	85.16 (11)
Zn4^xi—Ni3—Zn5ⁱⁱ	117.10 (8)	Zn4^xix—Ni5—Ni4^xix	0.0
Ni4^x—Ni3—Zn5ⁱⁱ	62.90 (8)

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

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page

Tb2–xNdxZn17–yNiy (x = 0.5, y = 4.83): a new inter­metallic with a maximum disordered structure and its hydro­gen storage properties

Supporting information

Tb_2–xNd_xZn_17–yNi_y (x = 0.5, y = 4.83): a new intermetallic with a maximum disordered structure and its hydrogen storage properties