inorganic compounds
Didysprosium heptanickel
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
The title compound, Dy2Ni7, adopts the β-Gd2Co7-type structure type. The contains two Dy sites (both 3m) and five Ni sites (site symmetries .m, .2/m and -3m, and two 3m). The four different Ni coordination polyhedra are Frank–Kasper icosahedra formed by five Dy and seven Ni atoms, four Dy and eight Ni, three Dy and nine Ni, and six Dy and six Ni atoms, respectively. The two different Dy coordination polyhedra are either pseudo Frank–Kasper icosahedra formed by two Dy and 18 Ni atoms or normal Frank–Kasper icosahedra formed by four Dy and 12 Ni atoms.
Related literature
For the β-Gd2Co7 structure type, see: Bertaut et al. (1965). For previous powder diffraction studies of the title compound, see: Lemaire et al. (1967); Lemaire & Paccard (1969). For related compounds, see: Buschow & van der Goot (1970). For intergrowth structures, see: Parthé et al. (1985); Grin (1992).
Experimental
Crystal data
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Data collection: X-AREA (Stoe & Cie, 2009); cell X-AREA; data reduction: X-AREA; program(s) used to solve structure: SIR2011 (Burla et al., 2012); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 1999); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).
Supporting information
10.1107/S1600536812007611/vn2032sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536812007611/vn2032Isup2.hkl
The sample was prepared from the commercially available pure elements: sublimed bulk pieces of dysprosium metal with a claimed purity of 99.99 at.% (Alfa Aesar, Johnson Matthey) and electrolytic nickel (99.99% pure) piece (Aldrich). A mixture of the powders was compacted in stainless steel dies. The pellet 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 Subsequently, the sample was annealed in evacuated silica tube under an argon atmosphere for four weeks at 1070 K. Shiny metallic gray plate-like single crystals were isolated mechanically by crushing the sample.
The atomic positions found from the ab initio structure solution were in good agreement with those from the β-Gd2Co7 structure type and were used as starting point for the structure The highest Fourier difference peak of 5.07 e Å-3 is at (1/3 2/3 0.0305) and 0.89 Å away from the Ni4 atom. The deepest hole (-2.37 e Å-3) is at (1/3 2/3 0.0984) and 1.49 Å away from the Ni1 atom.
Data collection: X-AREA (Stoe & Cie, 2009); cell
X-AREA (Stoe & Cie, 2009); data reduction: X-AREA (Stoe & Cie, 2009); program(s) used to solve structure: SIR2011 (Burla et al., 2012); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 1999); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).Dy2Ni7 | Dx = 9.564 Mg m−3 |
Mr = 735.97 | Mo Kα radiation, λ = 0.71073 Å |
Trigonal, R3m | Cell parameters from 1802 reflections |
Hall symbol: -R 3 2" | θ = 1.6–27.2° |
a = 4.9460 (9) Å | µ = 53.83 mm−1 |
c = 36.191 (9) Å | T = 293 K |
V = 766.7 (3) Å3 | Plate-like, grey |
Z = 6 | 0.14 × 0.09 × 0.06 mm |
F(000) = 1968 |
Stoe IPDS II diffractometer | 253 independent reflections |
Radiation source: fine-focus sealed tube | 208 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.027 |
ω scans | θmax = 26.7°, θmin = 1.7° |
Absorption correction: numerical (X-RED; Stoe & Cie, 2009) | h = −6→3 |
Tmin = 0.067, Tmax = 0.135 | k = 0→6 |
372 measured reflections | l = 0→45 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Primary atom site location: structure-invariant direct methods |
R[F2 > 2σ(F2)] = 0.047 | Secondary atom site location: difference Fourier map |
wR(F2) = 0.115 | w = 1/[σ2(Fo2) + (0.075P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.07 | (Δ/σ)max < 0.001 |
253 reflections | Δρmax = 5.07 e Å−3 |
25 parameters | Δρmin = −2.37 e Å−3 |
Dy2Ni7 | Z = 6 |
Mr = 735.97 | Mo Kα radiation |
Trigonal, R3m | µ = 53.83 mm−1 |
a = 4.9460 (9) Å | T = 293 K |
c = 36.191 (9) Å | 0.14 × 0.09 × 0.06 mm |
V = 766.7 (3) Å3 |
Stoe IPDS II diffractometer | 253 independent reflections |
Absorption correction: numerical (X-RED; Stoe & Cie, 2009) | 208 reflections with I > 2σ(I) |
Tmin = 0.067, Tmax = 0.135 | Rint = 0.027 |
372 measured reflections |
R[F2 > 2σ(F2)] = 0.047 | 25 parameters |
wR(F2) = 0.115 | 0 restraints |
S = 1.07 | Δρmax = 5.07 e Å−3 |
253 reflections | Δρmin = −2.37 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | ||
Dy1 | 0.0000 | 0.0000 | 0.05083 (5) | 0.0143 (5) | |
Dy2 | 0.0000 | 0.0000 | 0.14764 (5) | 0.0152 (5) | |
Ni1 | 0.5005 (3) | 0.4995 (3) | 0.10972 (7) | 0.0124 (7) | |
Ni2 | 0.5000 | 0.0000 | 0.0000 | 0.0096 (8) | |
Ni3 | 0.0000 | 0.0000 | 0.27796 (13) | 0.0158 (11) | |
Ni4 | 0.0000 | 0.0000 | 0.38831 (12) | 0.0133 (10) | |
Ni5 | 0.0000 | 0.0000 | 0.5000 | 0.0097 (13) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Dy1 | 0.0103 (6) | 0.0103 (6) | 0.0222 (9) | 0.0052 (3) | 0.000 | 0.000 |
Dy2 | 0.0129 (7) | 0.0129 (7) | 0.0199 (9) | 0.0065 (3) | 0.000 | 0.000 |
Ni1 | 0.0128 (10) | 0.0128 (10) | 0.0137 (11) | 0.0080 (11) | 0.0007 (5) | −0.0007 (5) |
Ni2 | 0.0102 (12) | 0.0080 (18) | 0.0099 (14) | 0.0040 (9) | 0.0001 (6) | 0.0003 (12) |
Ni3 | 0.0167 (16) | 0.0167 (16) | 0.014 (2) | 0.0083 (8) | 0.000 | 0.000 |
Ni4 | 0.0158 (15) | 0.0158 (15) | 0.0083 (19) | 0.0079 (7) | 0.000 | 0.000 |
Ni5 | 0.0102 (19) | 0.0102 (19) | 0.009 (3) | 0.0051 (10) | 0.000 | 0.000 |
Dy1—Ni4i | 2.8595 (6) | Ni2—Ni2xix | 2.4730 (4) |
Dy1—Ni4ii | 2.8595 (6) | Ni2—Dy1xx | 3.0821 (11) |
Dy1—Ni4iii | 2.8595 (6) | Ni2—Dy1xxi | 3.0821 (11) |
Dy1—Ni3iv | 2.8603 (6) | Ni2—Dy1xxii | 3.0821 (11) |
Dy1—Ni3v | 2.8603 (6) | Ni3—Ni1iv | 2.428 (4) |
Dy1—Ni3vi | 2.8603 (6) | Ni3—Ni1xvi | 2.428 (4) |
Dy1—Ni2vii | 3.0821 (11) | Ni3—Ni1xv | 2.428 (4) |
Dy1—Ni2viii | 3.0821 (11) | Ni3—Ni2xxiii | 2.461 (4) |
Dy1—Ni2ix | 3.0821 (11) | Ni3—Ni2xxiv | 2.461 (4) |
Dy1—Ni2x | 3.0821 (11) | Ni3—Ni2xxv | 2.461 (4) |
Dy1—Ni2 | 3.0821 (11) | Ni3—Ni4xxvi | 2.8556 (5) |
Dy1—Ni2xi | 3.0821 (11) | Ni3—Ni4xxvii | 2.8556 (5) |
Dy2—Ni1xii | 2.8283 (14) | Ni3—Ni4xxviii | 2.8556 (5) |
Dy2—Ni1xi | 2.8283 (14) | Ni3—Dy1iv | 2.8603 (6) |
Dy2—Ni1vii | 2.8283 (14) | Ni3—Dy1v | 2.8603 (6) |
Dy2—Ni1 | 2.8283 (14) | Ni3—Dy1vi | 2.8603 (6) |
Dy2—Ni1xiii | 2.8283 (14) | Ni4—Ni1xxix | 2.445 (4) |
Dy2—Ni1xiv | 2.8283 (14) | Ni4—Ni1xxx | 2.445 (4) |
Dy2—Ni5i | 2.9374 (7) | Ni4—Ni1xxxi | 2.445 (4) |
Dy2—Ni5ii | 2.9374 (7) | Ni4—Ni2xxiii | 2.449 (3) |
Dy2—Ni5iii | 2.9374 (7) | Ni4—Ni2xxv | 2.449 (3) |
Dy2—Ni1iv | 3.096 (3) | Ni4—Ni2xxiv | 2.449 (3) |
Dy2—Ni1xv | 3.096 (3) | Ni4—Ni3xxvi | 2.8556 (5) |
Dy2—Ni1xvi | 3.096 (3) | Ni4—Ni3xxvii | 2.8556 (5) |
Ni1—Ni3iv | 2.428 (4) | Ni4—Ni3xxviii | 2.8556 (5) |
Ni1—Ni4i | 2.445 (4) | Ni4—Dy1xxix | 2.8595 (6) |
Ni1—Ni1x | 2.465 (5) | Ni4—Dy1xxxii | 2.8595 (6) |
Ni1—Ni1xiv | 2.465 (5) | Ni4—Dy1xxiv | 2.8595 (6) |
Ni1—Ni1xiii | 2.481 (5) | Ni5—Ni1xxvi | 2.510 (3) |
Ni1—Ni1xvii | 2.481 (5) | Ni5—Ni1xxix | 2.510 (3) |
Ni1—Ni5i | 2.510 (3) | Ni5—Ni1xxxiii | 2.510 (3) |
Ni1—Dy2xviii | 2.8283 (14) | Ni5—Ni1xxxi | 2.510 (3) |
Ni1—Dy2iv | 3.096 (3) | Ni5—Ni1xxxiv | 2.510 (3) |
Ni1—Dy1xviii | 3.265 (2) | Ni5—Ni1xxx | 2.510 (3) |
Ni2—Ni4iv | 2.449 (3) | Ni5—Dy2xxvi | 2.9374 (7) |
Ni2—Ni4iii | 2.449 (3) | Ni5—Dy2xxix | 2.9374 (7) |
Ni2—Ni3iv | 2.461 (4) | Ni5—Dy2xxvii | 2.9374 (7) |
Ni2—Ni3iii | 2.461 (4) | Ni5—Dy2xxxii | 2.9374 (7) |
Ni2—Ni2xiv | 2.4730 (5) | Ni5—Dy2xxviii | 2.9374 (7) |
Ni2—Ni2viii | 2.4730 (5) | Ni5—Dy2xxiv | 2.9374 (7) |
Ni2—Ni2x | 2.4730 (5) | ||
Ni4i—Dy1—Ni4ii | 119.729 (16) | Ni2viii—Ni2—Dy1xx | 113.652 (8) |
Ni4i—Dy1—Ni4iii | 119.727 (16) | Ni2x—Ni2—Dy1xx | 113.652 (8) |
Ni4ii—Dy1—Ni4iii | 119.727 (16) | Ni2xix—Ni2—Dy1xx | 66.348 (8) |
Ni4i—Dy1—Ni3iv | 59.900 (4) | Ni4iv—Ni2—Dy1xxi | 61.00 (3) |
Ni4ii—Dy1—Ni3iv | 173.70 (14) | Ni4iii—Ni2—Dy1xxi | 119.00 (3) |
Ni4iii—Dy1—Ni3iv | 59.901 (4) | Ni3iv—Ni2—Dy1xxi | 119.08 (3) |
Ni4i—Dy1—Ni3v | 173.70 (14) | Ni3iii—Ni2—Dy1xxi | 60.92 (3) |
Ni4ii—Dy1—Ni3v | 59.900 (4) | Ni2xiv—Ni2—Dy1xxi | 113.652 (8) |
Ni4iii—Dy1—Ni3v | 59.901 (4) | Ni2viii—Ni2—Dy1xxi | 66.348 (8) |
Ni3iv—Dy1—Ni3v | 119.67 (2) | Ni2x—Ni2—Dy1xxi | 66.348 (8) |
Ni4i—Dy1—Ni3vi | 59.901 (4) | Ni2xix—Ni2—Dy1xxi | 113.652 (8) |
Ni4ii—Dy1—Ni3vi | 59.901 (4) | Dy1xx—Ni2—Dy1xxi | 180.00 (5) |
Ni4iii—Dy1—Ni3vi | 173.70 (14) | Ni4iv—Ni2—Dy1 | 119.00 (3) |
Ni3iv—Dy1—Ni3vi | 119.67 (2) | Ni4iii—Ni2—Dy1 | 61.00 (3) |
Ni3v—Dy1—Ni3vi | 119.67 (2) | Ni3iv—Ni2—Dy1 | 60.92 (3) |
Ni4i—Dy1—Ni2vii | 136.49 (8) | Ni3iii—Ni2—Dy1 | 119.08 (3) |
Ni4ii—Dy1—Ni2vii | 48.50 (7) | Ni2xiv—Ni2—Dy1 | 113.652 (8) |
Ni4iii—Dy1—Ni2vii | 91.79 (5) | Ni2viii—Ni2—Dy1 | 66.348 (8) |
Ni3iv—Dy1—Ni2vii | 136.72 (9) | Ni2x—Ni2—Dy1 | 66.348 (8) |
Ni3v—Dy1—Ni2vii | 48.75 (8) | Ni2xix—Ni2—Dy1 | 113.652 (8) |
Ni3vi—Dy1—Ni2vii | 91.97 (6) | Dy1xx—Ni2—Dy1 | 106.71 (5) |
Ni4i—Dy1—Ni2viii | 136.49 (8) | Dy1xxi—Ni2—Dy1 | 73.29 (5) |
Ni4ii—Dy1—Ni2viii | 91.79 (5) | Ni4iv—Ni2—Dy1xxii | 61.00 (3) |
Ni4iii—Dy1—Ni2viii | 48.50 (7) | Ni4iii—Ni2—Dy1xxii | 119.00 (3) |
Ni3iv—Dy1—Ni2viii | 91.97 (6) | Ni3iv—Ni2—Dy1xxii | 119.08 (3) |
Ni3v—Dy1—Ni2viii | 48.75 (8) | Ni3iii—Ni2—Dy1xxii | 60.92 (3) |
Ni3vi—Dy1—Ni2viii | 136.72 (9) | Ni2xiv—Ni2—Dy1xxii | 66.348 (8) |
Ni2vii—Dy1—Ni2viii | 47.304 (17) | Ni2viii—Ni2—Dy1xxii | 113.652 (8) |
Ni4i—Dy1—Ni2ix | 91.79 (5) | Ni2x—Ni2—Dy1xxii | 113.652 (8) |
Ni4ii—Dy1—Ni2ix | 48.50 (7) | Ni2xix—Ni2—Dy1xxii | 66.348 (8) |
Ni4iii—Dy1—Ni2ix | 136.49 (8) | Dy1xx—Ni2—Dy1xxii | 73.29 (5) |
Ni3iv—Dy1—Ni2ix | 136.72 (9) | Dy1xxi—Ni2—Dy1xxii | 106.71 (5) |
Ni3v—Dy1—Ni2ix | 91.97 (6) | Dy1—Ni2—Dy1xxii | 180.00 (5) |
Ni3vi—Dy1—Ni2ix | 48.75 (8) | Ni1iv—Ni3—Ni1xvi | 61.02 (15) |
Ni2vii—Dy1—Ni2ix | 47.304 (17) | Ni1iv—Ni3—Ni1xv | 61.02 (15) |
Ni2viii—Dy1—Ni2ix | 88.03 (4) | Ni1xvi—Ni3—Ni1xv | 61.02 (15) |
Ni4i—Dy1—Ni2x | 48.50 (7) | Ni1iv—Ni3—Ni2xxiii | 108.64 (7) |
Ni4ii—Dy1—Ni2x | 136.49 (8) | Ni1xvi—Ni3—Ni2xxiii | 146.09 (3) |
Ni4iii—Dy1—Ni2x | 91.79 (5) | Ni1xv—Ni3—Ni2xxiii | 146.09 (3) |
Ni3iv—Dy1—Ni2x | 48.75 (8) | Ni1iv—Ni3—Ni2xxiv | 146.09 (3) |
Ni3v—Dy1—Ni2x | 136.72 (9) | Ni1xvi—Ni3—Ni2xxiv | 146.09 (3) |
Ni3vi—Dy1—Ni2x | 91.97 (6) | Ni1xv—Ni3—Ni2xxiv | 108.64 (7) |
Ni2vii—Dy1—Ni2x | 106.71 (5) | Ni2xxiii—Ni3—Ni2xxiv | 60.33 (11) |
Ni2viii—Dy1—Ni2x | 88.03 (4) | Ni1iv—Ni3—Ni2xxv | 146.09 (3) |
Ni2ix—Dy1—Ni2x | 88.03 (4) | Ni1xvi—Ni3—Ni2xxv | 108.64 (7) |
Ni4i—Dy1—Ni2 | 91.79 (5) | Ni1xv—Ni3—Ni2xxv | 146.09 (3) |
Ni4ii—Dy1—Ni2 | 136.49 (8) | Ni2xxiii—Ni3—Ni2xxv | 60.33 (11) |
Ni4iii—Dy1—Ni2 | 48.50 (7) | Ni2xxiv—Ni3—Ni2xxv | 60.33 (11) |
Ni3iv—Dy1—Ni2 | 48.75 (8) | Ni1iv—Ni3—Ni4xxvi | 107.29 (14) |
Ni3v—Dy1—Ni2 | 91.97 (6) | Ni1xvi—Ni3—Ni4xxvi | 107.29 (14) |
Ni3vi—Dy1—Ni2 | 136.72 (9) | Ni1xv—Ni3—Ni4xxvi | 54.40 (11) |
Ni2vii—Dy1—Ni2 | 88.03 (4) | Ni2xxiii—Ni3—Ni4xxvi | 106.62 (14) |
Ni2viii—Dy1—Ni2 | 47.304 (17) | Ni2xxiv—Ni3—Ni4xxvi | 54.24 (9) |
Ni2ix—Dy1—Ni2 | 106.71 (5) | Ni2xxv—Ni3—Ni4xxvi | 106.62 (14) |
Ni2x—Dy1—Ni2 | 47.304 (17) | Ni1iv—Ni3—Ni4xxvii | 107.29 (14) |
Ni4i—Dy1—Ni2xi | 48.50 (7) | Ni1xvi—Ni3—Ni4xxvii | 54.40 (11) |
Ni4ii—Dy1—Ni2xi | 91.79 (5) | Ni1xv—Ni3—Ni4xxvii | 107.29 (14) |
Ni4iii—Dy1—Ni2xi | 136.49 (8) | Ni2xxiii—Ni3—Ni4xxvii | 106.62 (14) |
Ni3iv—Dy1—Ni2xi | 91.97 (6) | Ni2xxiv—Ni3—Ni4xxvii | 106.62 (14) |
Ni3v—Dy1—Ni2xi | 136.72 (9) | Ni2xxv—Ni3—Ni4xxvii | 54.24 (9) |
Ni3vi—Dy1—Ni2xi | 48.75 (8) | Ni4xxvi—Ni3—Ni4xxvii | 119.998 (3) |
Ni2vii—Dy1—Ni2xi | 88.03 (4) | Ni1iv—Ni3—Ni4xxviii | 54.40 (11) |
Ni2viii—Dy1—Ni2xi | 106.71 (5) | Ni1xvi—Ni3—Ni4xxviii | 107.29 (14) |
Ni2ix—Dy1—Ni2xi | 47.304 (17) | Ni1xv—Ni3—Ni4xxviii | 107.29 (14) |
Ni2x—Dy1—Ni2xi | 47.304 (17) | Ni2xxiii—Ni3—Ni4xxviii | 54.24 (9) |
Ni2—Dy1—Ni2xi | 88.03 (4) | Ni2xxiv—Ni3—Ni4xxviii | 106.62 (14) |
Ni1xii—Dy2—Ni1xi | 52.03 (11) | Ni2xxv—Ni3—Ni4xxviii | 106.62 (14) |
Ni1xii—Dy2—Ni1vii | 51.67 (11) | Ni4xxvi—Ni3—Ni4xxviii | 119.997 (3) |
Ni1xi—Dy2—Ni1vii | 98.44 (6) | Ni4xxvii—Ni3—Ni4xxviii | 119.997 (3) |
Ni1xii—Dy2—Ni1 | 121.94 (10) | Ni1iv—Ni3—Dy1iv | 75.76 (7) |
Ni1xi—Dy2—Ni1 | 98.44 (6) | Ni1xvi—Ni3—Dy1iv | 129.19 (18) |
Ni1vii—Dy2—Ni1 | 98.44 (6) | Ni1xv—Ni3—Dy1iv | 75.76 (7) |
Ni1xii—Dy2—Ni1xiii | 98.44 (6) | Ni2xxiii—Ni3—Dy1iv | 70.34 (6) |
Ni1xi—Dy2—Ni1xiii | 51.67 (11) | Ni2xxiv—Ni3—Dy1iv | 70.34 (6) |
Ni1vii—Dy2—Ni1xiii | 121.94 (10) | Ni2xxv—Ni3—Dy1iv | 122.17 (17) |
Ni1—Dy2—Ni1xiii | 52.03 (11) | Ni4xxvi—Ni3—Dy1iv | 60.035 (7) |
Ni1xii—Dy2—Ni1xiv | 98.44 (6) | Ni4xxvii—Ni3—Dy1iv | 176.4 (2) |
Ni1xi—Dy2—Ni1xiv | 121.94 (10) | Ni4xxviii—Ni3—Dy1iv | 60.036 (7) |
Ni1vii—Dy2—Ni1xiv | 52.03 (11) | Ni1iv—Ni3—Dy1v | 75.76 (7) |
Ni1—Dy2—Ni1xiv | 51.67 (11) | Ni1xvi—Ni3—Dy1v | 75.76 (7) |
Ni1xiii—Dy2—Ni1xiv | 98.44 (6) | Ni1xv—Ni3—Dy1v | 129.19 (18) |
Ni1xii—Dy2—Ni5i | 148.28 (6) | Ni2xxiii—Ni3—Dy1v | 70.34 (6) |
Ni1xi—Dy2—Ni5i | 96.44 (6) | Ni2xxiv—Ni3—Dy1v | 122.17 (17) |
Ni1vii—Dy2—Ni5i | 148.28 (6) | Ni2xxv—Ni3—Dy1v | 70.34 (6) |
Ni1—Dy2—Ni5i | 51.56 (5) | Ni4xxvi—Ni3—Dy1v | 176.4 (2) |
Ni1xiii—Dy2—Ni5i | 51.56 (5) | Ni4xxvii—Ni3—Dy1v | 60.035 (7) |
Ni1xiv—Dy2—Ni5i | 96.44 (6) | Ni4xxviii—Ni3—Dy1v | 60.036 (7) |
Ni1xii—Dy2—Ni5ii | 51.56 (5) | Dy1iv—Ni3—Dy1v | 119.67 (2) |
Ni1xi—Dy2—Ni5ii | 51.56 (5) | Ni1iv—Ni3—Dy1vi | 129.19 (18) |
Ni1vii—Dy2—Ni5ii | 96.44 (6) | Ni1xvi—Ni3—Dy1vi | 75.76 (7) |
Ni1—Dy2—Ni5ii | 148.28 (6) | Ni1xv—Ni3—Dy1vi | 75.76 (7) |
Ni1xiii—Dy2—Ni5ii | 96.44 (6) | Ni2xxiii—Ni3—Dy1vi | 122.17 (17) |
Ni1xiv—Dy2—Ni5ii | 148.28 (6) | Ni2xxiv—Ni3—Dy1vi | 70.34 (6) |
Ni5i—Dy2—Ni5ii | 114.68 (3) | Ni2xxv—Ni3—Dy1vi | 70.34 (6) |
Ni1xii—Dy2—Ni5iii | 96.44 (6) | Ni4xxvi—Ni3—Dy1vi | 60.036 (7) |
Ni1xi—Dy2—Ni5iii | 148.28 (6) | Ni4xxvii—Ni3—Dy1vi | 60.036 (7) |
Ni1vii—Dy2—Ni5iii | 51.56 (5) | Ni4xxviii—Ni3—Dy1vi | 176.4 (2) |
Ni1—Dy2—Ni5iii | 96.44 (6) | Dy1iv—Ni3—Dy1vi | 119.67 (2) |
Ni1xiii—Dy2—Ni5iii | 148.28 (6) | Dy1v—Ni3—Dy1vi | 119.67 (2) |
Ni1xiv—Dy2—Ni5iii | 51.56 (5) | Ni1xxix—Ni4—Ni1xxx | 60.97 (14) |
Ni5i—Dy2—Ni5iii | 114.68 (3) | Ni1xxix—Ni4—Ni1xxxi | 60.97 (14) |
Ni5ii—Dy2—Ni5iii | 114.68 (3) | Ni1xxx—Ni4—Ni1xxxi | 60.97 (14) |
Ni1xii—Dy2—Ni1iv | 115.48 (5) | Ni1xxix—Ni4—Ni2xxiii | 108.47 (6) |
Ni1xi—Dy2—Ni1iv | 141.21 (5) | Ni1xxx—Ni4—Ni2xxiii | 146.02 (3) |
Ni1vii—Dy2—Ni1iv | 94.77 (8) | Ni1xxxi—Ni4—Ni2xxiii | 146.02 (3) |
Ni1—Dy2—Ni1iv | 115.48 (5) | Ni1xxix—Ni4—Ni2xxv | 146.02 (3) |
Ni1xiii—Dy2—Ni1iv | 141.21 (5) | Ni1xxx—Ni4—Ni2xxv | 146.02 (3) |
Ni1xiv—Dy2—Ni1iv | 94.77 (8) | Ni1xxxi—Ni4—Ni2xxv | 108.47 (7) |
Ni5i—Dy2—Ni1iv | 90.88 (5) | Ni2xxiii—Ni4—Ni2xxv | 60.66 (9) |
Ni5ii—Dy2—Ni1iv | 90.88 (5) | Ni1xxix—Ni4—Ni2xxiv | 146.02 (3) |
Ni5iii—Dy2—Ni1iv | 49.08 (5) | Ni1xxx—Ni4—Ni2xxiv | 108.47 (7) |
Ni1xii—Dy2—Ni1xv | 141.21 (5) | Ni1xxxi—Ni4—Ni2xxiv | 146.02 (3) |
Ni1xi—Dy2—Ni1xv | 115.48 (5) | Ni2xxiii—Ni4—Ni2xxiv | 60.66 (9) |
Ni1vii—Dy2—Ni1xv | 141.21 (5) | Ni2xxv—Ni4—Ni2xxiv | 60.66 (9) |
Ni1—Dy2—Ni1xv | 94.77 (8) | Ni1xxix—Ni4—Ni3xxvi | 106.79 (14) |
Ni1xiii—Dy2—Ni1xv | 94.77 (8) | Ni1xxx—Ni4—Ni3xxvi | 53.85 (12) |
Ni1xiv—Dy2—Ni1xv | 115.48 (5) | Ni1xxxi—Ni4—Ni3xxvi | 106.79 (14) |
Ni5i—Dy2—Ni1xv | 49.08 (5) | Ni2xxiii—Ni4—Ni3xxvi | 107.19 (13) |
Ni5ii—Dy2—Ni1xv | 90.88 (5) | Ni2xxv—Ni4—Ni3xxvi | 107.20 (13) |
Ni5iii—Dy2—Ni1xv | 90.88 (5) | Ni2xxiv—Ni4—Ni3xxvi | 54.62 (10) |
Ni1iv—Dy2—Ni1xv | 46.92 (9) | Ni1xxix—Ni4—Ni3xxvii | 106.79 (14) |
Ni1xii—Dy2—Ni1xvi | 94.77 (8) | Ni1xxx—Ni4—Ni3xxvii | 106.79 (14) |
Ni1xi—Dy2—Ni1xvi | 94.77 (8) | Ni1xxxi—Ni4—Ni3xxvii | 53.85 (12) |
Ni1vii—Dy2—Ni1xvi | 115.48 (5) | Ni2xxiii—Ni4—Ni3xxvii | 107.19 (13) |
Ni1—Dy2—Ni1xvi | 141.21 (5) | Ni2xxv—Ni4—Ni3xxvii | 54.62 (10) |
Ni1xiii—Dy2—Ni1xvi | 115.48 (5) | Ni2xxiv—Ni4—Ni3xxvii | 107.20 (13) |
Ni1xiv—Dy2—Ni1xvi | 141.21 (5) | Ni3xxvi—Ni4—Ni3xxvii | 119.998 (3) |
Ni5i—Dy2—Ni1xvi | 90.88 (5) | Ni1xxix—Ni4—Ni3xxviii | 53.85 (12) |
Ni5ii—Dy2—Ni1xvi | 49.08 (5) | Ni1xxx—Ni4—Ni3xxviii | 106.79 (14) |
Ni5iii—Dy2—Ni1xvi | 90.88 (5) | Ni1xxxi—Ni4—Ni3xxviii | 106.79 (14) |
Ni1iv—Dy2—Ni1xvi | 46.92 (9) | Ni2xxiii—Ni4—Ni3xxviii | 54.62 (10) |
Ni1xv—Dy2—Ni1xvi | 46.92 (9) | Ni2xxv—Ni4—Ni3xxviii | 107.20 (13) |
Ni3iv—Ni1—Ni4i | 71.75 (10) | Ni2xxiv—Ni4—Ni3xxviii | 107.20 (13) |
Ni3iv—Ni1—Ni1x | 59.49 (7) | Ni3xxvi—Ni4—Ni3xxviii | 119.997 (3) |
Ni4i—Ni1—Ni1x | 120.49 (7) | Ni3xxvii—Ni4—Ni3xxviii | 119.997 (3) |
Ni3iv—Ni1—Ni1xiv | 59.49 (7) | Ni1xxix—Ni4—Dy1xxix | 75.52 (6) |
Ni4i—Ni1—Ni1xiv | 120.49 (7) | Ni1xxx—Ni4—Dy1xxix | 128.87 (16) |
Ni1x—Ni1—Ni1xiv | 60.0 | Ni1xxxi—Ni4—Dy1xxix | 75.52 (6) |
Ni3iv—Ni1—Ni1xiii | 120.51 (7) | Ni2xxiii—Ni4—Dy1xxix | 70.51 (6) |
Ni4i—Ni1—Ni1xiii | 59.51 (7) | Ni2xxv—Ni4—Dy1xxix | 70.51 (6) |
Ni1x—Ni1—Ni1xiii | 180.00 (13) | Ni2xxiv—Ni4—Dy1xxix | 122.66 (14) |
Ni1xiv—Ni1—Ni1xiii | 120.000 (1) | Ni3xxvi—Ni4—Dy1xxix | 177.3 (2) |
Ni3iv—Ni1—Ni1xvii | 120.51 (7) | Ni3xxvii—Ni4—Dy1xxix | 60.063 (7) |
Ni4i—Ni1—Ni1xvii | 59.51 (7) | Ni3xxviii—Ni4—Dy1xxix | 60.064 (7) |
Ni1x—Ni1—Ni1xvii | 120.000 (1) | Ni1xxix—Ni4—Dy1xxxii | 75.52 (6) |
Ni1xiv—Ni1—Ni1xvii | 180.00 (13) | Ni1xxx—Ni4—Dy1xxxii | 75.52 (6) |
Ni1xiii—Ni1—Ni1xvii | 60.000 (1) | Ni1xxxi—Ni4—Dy1xxxii | 128.87 (16) |
Ni3iv—Ni1—Ni5i | 178.91 (14) | Ni2xxiii—Ni4—Dy1xxxii | 70.51 (6) |
Ni4i—Ni1—Ni5i | 109.34 (12) | Ni2xxv—Ni4—Dy1xxxii | 122.66 (14) |
Ni1x—Ni1—Ni5i | 119.62 (5) | Ni2xxiv—Ni4—Dy1xxxii | 70.51 (6) |
Ni1xiv—Ni1—Ni5i | 119.62 (5) | Ni3xxvi—Ni4—Dy1xxxii | 60.063 (7) |
Ni1xiii—Ni1—Ni5i | 60.38 (5) | Ni3xxvii—Ni4—Dy1xxxii | 177.3 (2) |
Ni1xvii—Ni1—Ni5i | 60.38 (5) | Ni3xxviii—Ni4—Dy1xxxii | 60.064 (7) |
Ni3iv—Ni1—Dy2xviii | 113.21 (6) | Dy1xxix—Ni4—Dy1xxxii | 119.728 (17) |
Ni4i—Ni1—Dy2xviii | 113.10 (7) | Ni1xxix—Ni4—Dy1xxiv | 128.86 (16) |
Ni1x—Ni1—Dy2xviii | 64.16 (6) | Ni1xxx—Ni4—Dy1xxiv | 75.52 (6) |
Ni1xiv—Ni1—Dy2xviii | 116.01 (6) | Ni1xxxi—Ni4—Dy1xxiv | 75.52 (6) |
Ni1xiii—Ni1—Dy2xviii | 115.84 (5) | Ni2xxiii—Ni4—Dy1xxiv | 122.66 (14) |
Ni1xvii—Ni1—Dy2xviii | 63.99 (6) | Ni2xxv—Ni4—Dy1xxiv | 70.50 (6) |
Ni5i—Ni1—Dy2xviii | 66.46 (5) | Ni2xxiv—Ni4—Dy1xxiv | 70.50 (6) |
Ni3iv—Ni1—Dy2 | 113.21 (6) | Ni3xxvi—Ni4—Dy1xxiv | 60.064 (7) |
Ni4i—Ni1—Dy2 | 113.10 (7) | Ni3xxvii—Ni4—Dy1xxiv | 60.064 (7) |
Ni1x—Ni1—Dy2 | 116.01 (6) | Ni3xxviii—Ni4—Dy1xxiv | 177.3 (2) |
Ni1xiv—Ni1—Dy2 | 64.16 (6) | Dy1xxix—Ni4—Dy1xxiv | 119.727 (17) |
Ni1xiii—Ni1—Dy2 | 63.99 (6) | Dy1xxxii—Ni4—Dy1xxiv | 119.727 (17) |
Ni1xvii—Ni1—Dy2 | 115.84 (5) | Ni1xxvi—Ni5—Ni1xxix | 180.00 (6) |
Ni5i—Ni1—Dy2 | 66.46 (5) | Ni1xxvi—Ni5—Ni1xxxiii | 59.24 (10) |
Dy2xviii—Ni1—Dy2 | 121.94 (10) | Ni1xxix—Ni5—Ni1xxxiii | 120.76 (10) |
Ni3iv—Ni1—Dy2iv | 116.74 (12) | Ni1xxvi—Ni5—Ni1xxxi | 120.76 (10) |
Ni4i—Ni1—Dy2iv | 171.51 (13) | Ni1xxix—Ni5—Ni1xxxi | 59.24 (10) |
Ni1x—Ni1—Dy2iv | 66.54 (4) | Ni1xxxiii—Ni5—Ni1xxxi | 180.000 (1) |
Ni1xiv—Ni1—Dy2iv | 66.54 (4) | Ni1xxvi—Ni5—Ni1xxxiv | 59.24 (10) |
Ni1xiii—Ni1—Dy2iv | 113.46 (4) | Ni1xxix—Ni5—Ni1xxxiv | 120.76 (10) |
Ni1xvii—Ni1—Dy2iv | 113.46 (4) | Ni1xxxiii—Ni5—Ni1xxxiv | 59.24 (10) |
Ni5i—Ni1—Dy2iv | 62.17 (6) | Ni1xxxi—Ni5—Ni1xxxiv | 120.76 (11) |
Dy2xviii—Ni1—Dy2iv | 64.52 (5) | Ni1xxvi—Ni5—Ni1xxx | 120.76 (10) |
Dy2—Ni1—Dy2iv | 64.52 (5) | Ni1xxix—Ni5—Ni1xxx | 59.24 (10) |
Ni3iv—Ni1—Dy1 | 58.12 (5) | Ni1xxxiii—Ni5—Ni1xxx | 120.76 (11) |
Ni4i—Ni1—Dy1 | 58.00 (5) | Ni1xxxi—Ni5—Ni1xxx | 59.24 (10) |
Ni1x—Ni1—Dy1 | 112.33 (5) | Ni1xxxiv—Ni5—Ni1xxx | 180.000 (1) |
Ni1xiv—Ni1—Dy1 | 67.82 (5) | Ni1xxvi—Ni5—Dy2xxvi | 61.98 (3) |
Ni1xiii—Ni1—Dy1 | 67.67 (5) | Ni1xxix—Ni5—Dy2xxvi | 118.02 (3) |
Ni1xvii—Ni1—Dy1 | 112.18 (5) | Ni1xxxiii—Ni5—Dy2xxvi | 61.98 (3) |
Ni5i—Ni1—Dy1 | 122.36 (6) | Ni1xxxi—Ni5—Dy2xxvi | 118.02 (3) |
Dy2xviii—Ni1—Dy1 | 168.27 (8) | Ni1xxxiv—Ni5—Dy2xxvi | 111.25 (7) |
Dy2—Ni1—Dy1 | 69.79 (4) | Ni1xxx—Ni5—Dy2xxvi | 68.75 (7) |
Dy2iv—Ni1—Dy1 | 125.48 (5) | Ni1xxvi—Ni5—Dy2xxix | 118.02 (3) |
Ni3iv—Ni1—Dy1xviii | 58.12 (5) | Ni1xxix—Ni5—Dy2xxix | 61.98 (3) |
Ni4i—Ni1—Dy1xviii | 58.00 (5) | Ni1xxxiii—Ni5—Dy2xxix | 118.03 (3) |
Ni1x—Ni1—Dy1xviii | 67.82 (5) | Ni1xxxi—Ni5—Dy2xxix | 61.97 (3) |
Ni1xiv—Ni1—Dy1xviii | 112.33 (5) | Ni1xxxiv—Ni5—Dy2xxix | 68.75 (7) |
Ni1xiii—Ni1—Dy1xviii | 112.18 (5) | Ni1xxx—Ni5—Dy2xxix | 111.25 (7) |
Ni1xvii—Ni1—Dy1xviii | 67.67 (5) | Dy2xxvi—Ni5—Dy2xxix | 180.0 |
Ni5i—Ni1—Dy1xviii | 122.36 (6) | Ni1xxvi—Ni5—Dy2xxvii | 61.98 (3) |
Dy2xviii—Ni1—Dy1xviii | 69.79 (4) | Ni1xxix—Ni5—Dy2xxvii | 118.02 (3) |
Dy2—Ni1—Dy1xviii | 168.27 (8) | Ni1xxxiii—Ni5—Dy2xxvii | 111.25 (7) |
Dy2iv—Ni1—Dy1xviii | 125.48 (5) | Ni1xxxi—Ni5—Dy2xxvii | 68.75 (7) |
Dy1—Ni1—Dy1xviii | 98.49 (8) | Ni1xxxiv—Ni5—Dy2xxvii | 61.98 (3) |
Ni4iv—Ni2—Ni4iii | 180.00 (11) | Ni1xxx—Ni5—Dy2xxvii | 118.02 (3) |
Ni4iv—Ni2—Ni3iv | 108.86 (8) | Dy2xxvi—Ni5—Dy2xxvii | 114.68 (3) |
Ni4iii—Ni2—Ni3iv | 71.14 (8) | Dy2xxix—Ni5—Dy2xxvii | 65.32 (3) |
Ni4iv—Ni2—Ni3iii | 71.14 (8) | Ni1xxvi—Ni5—Dy2xxxii | 118.02 (3) |
Ni4iii—Ni2—Ni3iii | 108.86 (8) | Ni1xxix—Ni5—Dy2xxxii | 61.98 (3) |
Ni3iv—Ni2—Ni3iii | 180.00 (13) | Ni1xxxiii—Ni5—Dy2xxxii | 68.75 (7) |
Ni4iv—Ni2—Ni2xiv | 59.67 (5) | Ni1xxxi—Ni5—Dy2xxxii | 111.25 (7) |
Ni4iii—Ni2—Ni2xiv | 120.33 (5) | Ni1xxxiv—Ni5—Dy2xxxii | 118.03 (3) |
Ni3iv—Ni2—Ni2xiv | 59.83 (5) | Ni1xxx—Ni5—Dy2xxxii | 61.97 (3) |
Ni3iii—Ni2—Ni2xiv | 120.17 (5) | Dy2xxvi—Ni5—Dy2xxxii | 65.32 (3) |
Ni4iv—Ni2—Ni2viii | 120.33 (5) | Dy2xxix—Ni5—Dy2xxxii | 114.68 (3) |
Ni4iii—Ni2—Ni2viii | 59.67 (5) | Dy2xxvii—Ni5—Dy2xxxii | 180.00 (7) |
Ni3iv—Ni2—Ni2viii | 120.17 (5) | Ni1xxvi—Ni5—Dy2xxviii | 111.24 (7) |
Ni3iii—Ni2—Ni2viii | 59.83 (5) | Ni1xxix—Ni5—Dy2xxviii | 68.76 (7) |
Ni2xiv—Ni2—Ni2viii | 180.0 | Ni1xxxiii—Ni5—Dy2xxviii | 61.97 (3) |
Ni4iv—Ni2—Ni2x | 59.67 (5) | Ni1xxxi—Ni5—Dy2xxviii | 118.03 (3) |
Ni4iii—Ni2—Ni2x | 120.33 (5) | Ni1xxxiv—Ni5—Dy2xxviii | 61.97 (3) |
Ni3iv—Ni2—Ni2x | 59.83 (5) | Ni1xxx—Ni5—Dy2xxviii | 118.03 (3) |
Ni3iii—Ni2—Ni2x | 120.17 (5) | Dy2xxvi—Ni5—Dy2xxviii | 114.68 (3) |
Ni2xiv—Ni2—Ni2x | 60.0 | Dy2xxix—Ni5—Dy2xxviii | 65.32 (3) |
Ni2viii—Ni2—Ni2x | 120.0 | Dy2xxvii—Ni5—Dy2xxviii | 114.68 (3) |
Ni4iv—Ni2—Ni2xix | 120.33 (5) | Dy2xxxii—Ni5—Dy2xxviii | 65.32 (3) |
Ni4iii—Ni2—Ni2xix | 59.67 (5) | Ni1xxvi—Ni5—Dy2xxiv | 68.76 (7) |
Ni3iv—Ni2—Ni2xix | 120.17 (5) | Ni1xxix—Ni5—Dy2xxiv | 111.24 (7) |
Ni3iii—Ni2—Ni2xix | 59.83 (5) | Ni1xxxiii—Ni5—Dy2xxiv | 118.03 (3) |
Ni2xiv—Ni2—Ni2xix | 120.0 | Ni1xxxi—Ni5—Dy2xxiv | 61.97 (3) |
Ni2viii—Ni2—Ni2xix | 60.0 | Ni1xxxiv—Ni5—Dy2xxiv | 118.03 (3) |
Ni2x—Ni2—Ni2xix | 180.0 | Ni1xxx—Ni5—Dy2xxiv | 61.97 (3) |
Ni4iv—Ni2—Dy1xx | 119.00 (3) | Dy2xxvi—Ni5—Dy2xxiv | 65.32 (3) |
Ni4iii—Ni2—Dy1xx | 61.00 (3) | Dy2xxix—Ni5—Dy2xxiv | 114.68 (3) |
Ni3iv—Ni2—Dy1xx | 60.92 (3) | Dy2xxvii—Ni5—Dy2xxiv | 65.32 (3) |
Ni3iii—Ni2—Dy1xx | 119.08 (3) | Dy2xxxii—Ni5—Dy2xxiv | 114.68 (3) |
Ni2xiv—Ni2—Dy1xx | 66.348 (8) | Dy2xxviii—Ni5—Dy2xxiv | 180.00 (7) |
Symmetry codes: (i) x+1/3, y+2/3, z−1/3; (ii) x−2/3, y−1/3, z−1/3; (iii) x+1/3, y−1/3, z−1/3; (iv) −x+2/3, −y+1/3, −z+1/3; (v) −x−1/3, −y−2/3, −z+1/3; (vi) −x−1/3, −y+1/3, −z+1/3; (vii) −x+y, −x, z; (viii) −y, x−y−1, z; (ix) x−1, y, z; (x) −x+y+1, −x+1, z; (xi) −y, x−y, z; (xii) x−1, y−1, z; (xiii) −x+y, −x+1, z; (xiv) −y+1, x−y, z; (xv) y−1/3, −x+y+1/3, −z+1/3; (xvi) x−y−1/3, x−2/3, −z+1/3; (xvii) −y+1, x−y+1, z; (xviii) x+1, y+1, z; (xix) −x+y+1, −x, z; (xx) x+1, y, z; (xxi) −x, −y, −z; (xxii) −x+1, −y, −z; (xxiii) −x+y+2/3, −x+1/3, z+1/3; (xxiv) x−1/3, y+1/3, z+1/3; (xxv) −y−1/3, x−y−2/3, z+1/3; (xxvi) −x+1/3, −y+2/3, −z+2/3; (xxvii) −x−2/3, −y−1/3, −z+2/3; (xxviii) −x+1/3, −y−1/3, −z+2/3; (xxix) x−1/3, y−2/3, z+1/3; (xxx) −y+2/3, x−y+1/3, z+1/3; (xxxi) −x+y−1/3, −x+1/3, z+1/3; (xxxii) x+2/3, y+1/3, z+1/3; (xxxiii) x−y+1/3, x−1/3, −z+2/3; (xxxiv) y−2/3, −x+y−1/3, −z+2/3. |
Experimental details
Crystal data | |
Chemical formula | Dy2Ni7 |
Mr | 735.97 |
Crystal system, space group | Trigonal, R3m |
Temperature (K) | 293 |
a, c (Å) | 4.9460 (9), 36.191 (9) |
V (Å3) | 766.7 (3) |
Z | 6 |
Radiation type | Mo Kα |
µ (mm−1) | 53.83 |
Crystal size (mm) | 0.14 × 0.09 × 0.06 |
Data collection | |
Diffractometer | Stoe IPDS II diffractometer |
Absorption correction | Numerical (X-RED; Stoe & Cie, 2009) |
Tmin, Tmax | 0.067, 0.135 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 372, 253, 208 |
Rint | 0.027 |
(sin θ/λ)max (Å−1) | 0.633 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.047, 0.115, 1.07 |
No. of reflections | 253 |
No. of parameters | 25 |
Δρmax, Δρmin (e Å−3) | 5.07, −2.37 |
Computer programs: X-AREA (Stoe & Cie, 2009), SIR2011 (Burla et al., 2012), SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 1999), DIAMOND (Brandenburg, 2006), publCIF (Westrip, 2010).
References
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This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
The existence of the Dy2Ni7 structure isotypic with the rhombohedral β-Gd2Co7 structure was reported by Lemaire et al. (1967) and Lemaire & Paccard (1969). The lattice parameters were determined from X-ray powder diffraction data without specifying atomic coordinates. Buschow & van der Goot (1970) prepared a series of isotypic compounds with a composition close to R2Ni7 (R = Y, La–Nd, Sm, Gd–Er) and from the X-ray powder diffraction data confirmed the lattice parameters for Dy2Ni7.
In this work we carried out a single-crystal investigation of the Dy2Ni7 inter-metallic compound. A view of the crystal structure of Dy2Ni7 is shown in Fig. 1. The structure belongs to the β-Gd2Co7 structure type (Bertaut et al., 1965) and consists of stacks of RX5 blocks corresponding to the CaCu5-type structure and R2X4 blocks corresponding to the MgCu2-type structure. 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 3-fold inversion axis giving an inter-growth structure: 2RX5 + R2X4 = 2R2X7. The Kagome net serves as the common interface in the structure (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, but the Wyckoff site occupation is different. The coordination polyhedra are Frank–Kasper icosahedra (coordination number 12). The Ni1 atom (Wyckoff site 18h, site symmetry .m) is surrounded by 5 Dy atoms and 7 Ni atoms. The Ni2 atom (Wyckoff site 9e, site symmetry .2/m) is surrounded by 4 Dy atoms and 8 Ni atoms. The Ni3 and Ni4 atoms (both Wyckoff site 6c, site symmetry 3m) are surrounded by 3 Dy and 9 Ni atoms and by 3 Dy atoms and 9 Ni atoms respectively. The Ni5 atom (Wyckoff site 3b, site symmetry 3m) is surrounded by 6 Dy atoms and 6 Ni atoms. The coordination polyhedra for Dy1 and Dy2 atoms (both in Wyckoff site 6c, site symmetry 3m) are pseudo Frank–Kasper polyhedra (coordination number 20) and Frank–Kasper polyhedra (coordination number 16), respectively. The Dy1 atom is surrounded by 2 Dy atoms and 18 Ni atoms. The Dy2 atom is surrounded by 4 Dy atoms and 12 Ni atoms.