Single crystals of ErNiSi3 were synthesized from the corresponding elements by arc melting. The ternary intermetallic compound crystallizes in the orthorhombic space group Cmmm and adopts the SmNiGe3 structure type, with all atoms in special positions of site symmetry m2m.
Supporting information
Data collection: CrysAlis CCD (Oxford Diffraction, 2004); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).
Erbium Nickel Trisilicon
top
Crystal data top
ErNiSi3 | F(000) = 552 |
Mr = 310.24 | Dx = 6.391 Mg m−3 |
Orthorhombic, Cmmm | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2 2 | Cell parameters from 1395 reflections |
a = 3.9152 (5) Å | θ = 5.2–32.7° |
b = 20.948 (3) Å | µ = 32.50 mm−1 |
c = 3.9313 (6) Å | T = 295 K |
V = 322.42 (8) Å3 | Prism, metallic light grey |
Z = 4 | 0.07 × 0.05 × 0.04 mm |
Data collection top
Oxford Diffraction Xcalibur3 CCD diffractometer | 360 independent reflections |
Radiation source: fine-focus sealed tube | 358 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.028 |
ω scans | θmax = 32.7°, θmin = 5.2° |
Absorption correction: analytical CrysAlis RED (Oxford Diffraction, 2005) | h = −5→5 |
Tmin = 0.187, Tmax = 0.274 | k = −30→30 |
1407 measured reflections | l = −3→5 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.016 | w = 1/[σ2(Fo2) + (0.0156P)2 + 8.1601P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.040 | (Δ/σ)max = 0.001 |
S = 1.02 | Δρmax = 1.37 e Å−3 |
360 reflections | Δρmin = −1.37 e Å−3 |
22 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.0108 (5) |
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. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F2, conventional
R-factors R are based on F, with F set to zero for
negative F2. The threshold expression of F2 >
σ(F2) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F2 are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Er | 0.0000 | 0.331215 (13) | 0.5000 | 0.00485 (12) | |
Ni | 0.0000 | 0.11061 (4) | 0.0000 | 0.00510 (16) | |
Si1 | 0.0000 | 0.05585 (9) | 0.5000 | 0.0071 (3) | |
Si2 | 0.0000 | 0.21787 (9) | 0.0000 | 0.0054 (3) | |
Si3 | 0.0000 | 0.44397 (9) | 0.0000 | 0.0067 (3) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Er | 0.00386 (15) | 0.00568 (16) | 0.00503 (16) | 0.000 | 0.000 | 0.000 |
Ni | 0.0045 (3) | 0.0042 (4) | 0.0066 (3) | 0.000 | 0.000 | 0.000 |
Si1 | 0.0107 (8) | 0.0049 (7) | 0.0059 (7) | 0.000 | 0.000 | 0.000 |
Si2 | 0.0038 (7) | 0.0049 (7) | 0.0076 (7) | 0.000 | 0.000 | 0.000 |
Si3 | 0.0033 (7) | 0.0049 (7) | 0.0120 (8) | 0.000 | 0.000 | 0.000 |
Geometric parameters (Å, º) top
Er—Si2i | 2.9586 (7) | Ni—Eri | 3.0300 (4) |
Er—Si2ii | 2.9586 (7) | Ni—Eriv | 3.0300 (4) |
Er—Si2iii | 2.9586 (7) | Ni—Eriii | 3.0300 (4) |
Er—Si2iv | 2.9586 (7) | Si1—Niv | 2.2759 (11) |
Er—Niii | 3.0300 (4) | Si1—Si1ix | 2.340 (4) |
Er—Nii | 3.0300 (4) | Si1—Si3ii | 2.7742 (3) |
Er—Niiii | 3.0300 (4) | Si1—Si3i | 2.7742 (3) |
Er—Niiv | 3.0300 (4) | Si1—Si3iii | 2.7742 (3) |
Er—Si1ii | 3.0707 (15) | Si1—Si3iv | 2.7742 (3) |
Er—Si1iii | 3.0707 (15) | Si1—Erii | 3.0707 (15) |
Er—Si3 | 3.0729 (15) | Si1—Eriii | 3.0707 (15) |
Er—Si3v | 3.0729 (15) | Si2—Si2iv | 2.376 (2) |
Er—Si2 | 3.0823 (15) | Si2—Si2i | 2.376 (2) |
Er—Si2v | 3.0823 (15) | Si2—Eri | 2.9586 (7) |
Er—Ervi | 3.9152 (5) | Si2—Erii | 2.9586 (7) |
Er—Ervii | 3.9152 (5) | Si2—Eriv | 2.9586 (7) |
Er—Eriii | 3.9254 (6) | Si2—Eriii | 2.9586 (7) |
Er—Erii | 3.9254 (6) | Si2—Erviii | 3.0823 (15) |
Er—Erv | 3.9313 (6) | Si3—Nii | 2.2671 (11) |
Er—Erviii | 3.9313 (6) | Si3—Niiv | 2.2671 (11) |
Ni—Si2 | 2.247 (2) | Si3—Si3x | 2.347 (4) |
Ni—Si3i | 2.2671 (11) | Si3—Si1ii | 2.7742 (3) |
Ni—Si3iv | 2.2671 (11) | Si3—Si1i | 2.7742 (3) |
Ni—Si1viii | 2.2759 (11) | Si3—Si1iii | 2.7742 (3) |
Ni—Si1 | 2.2759 (11) | Si3—Si1iv | 2.7742 (3) |
Ni—Erii | 3.0300 (4) | Si3—Erviii | 3.0729 (15) |
| | | |
Si2i—Er—Si2ii | 139.32 (7) | Ervi—Er—Erv | 90.0 |
Si2i—Er—Si2iii | 83.27 (3) | Ervii—Er—Erv | 90.0 |
Si2ii—Er—Si2iii | 82.85 (2) | Eriii—Er—Erv | 90.0 |
Si2i—Er—Si2iv | 82.85 (2) | Erii—Er—Erv | 90.0 |
Si2ii—Er—Si2iv | 83.27 (3) | Si2i—Er—Erviii | 48.365 (13) |
Si2iii—Er—Si2iv | 139.32 (7) | Si2ii—Er—Erviii | 131.635 (13) |
Si2i—Er—Niii | 176.63 (4) | Si2iii—Er—Erviii | 131.635 (13) |
Si2ii—Er—Niii | 44.05 (4) | Si2iv—Er—Erviii | 48.365 (13) |
Si2iii—Er—Niii | 97.831 (18) | Niii—Er—Erviii | 130.446 (8) |
Si2iv—Er—Niii | 98.239 (17) | Nii—Er—Erviii | 49.554 (8) |
Si2i—Er—Nii | 44.05 (4) | Niiii—Er—Erviii | 130.446 (8) |
Si2ii—Er—Nii | 176.63 (4) | Niiv—Er—Erviii | 49.554 (8) |
Si2iii—Er—Nii | 98.239 (17) | Si1ii—Er—Erviii | 90.0 |
Si2iv—Er—Nii | 97.831 (17) | Si1iii—Er—Erviii | 90.0 |
Niii—Er—Nii | 132.57 (3) | Si3—Er—Erviii | 50.23 (2) |
Si2i—Er—Niiii | 98.239 (17) | Si3v—Er—Erviii | 129.77 (2) |
Si2ii—Er—Niiii | 97.831 (17) | Si2—Er—Erviii | 50.38 (2) |
Si2iii—Er—Niiii | 44.05 (4) | Si2v—Er—Erviii | 129.62 (2) |
Si2iv—Er—Niiii | 176.63 (4) | Ervi—Er—Erviii | 90.0 |
Niii—Er—Niiii | 80.493 (15) | Ervii—Er—Erviii | 90.0 |
Nii—Er—Niiii | 80.892 (15) | Eriii—Er—Erviii | 90.0 |
Si2i—Er—Niiv | 97.831 (18) | Erii—Er—Erviii | 90.0 |
Si2ii—Er—Niiv | 98.239 (17) | Erv—Er—Erviii | 180.0 |
Si2iii—Er—Niiv | 176.63 (4) | Si2—Ni—Si3i | 120.29 (5) |
Si2iv—Er—Niiv | 44.05 (4) | Si2—Ni—Si3iv | 120.29 (5) |
Niii—Er—Niiv | 80.892 (15) | Si3i—Ni—Si3iv | 119.42 (9) |
Nii—Er—Niiv | 80.493 (15) | Si2—Ni—Si1viii | 120.27 (5) |
Niiii—Er—Niiv | 132.57 (3) | Si3i—Ni—Si1viii | 75.27 (3) |
Si2i—Er—Si1ii | 133.60 (3) | Si3iv—Ni—Si1viii | 75.27 (3) |
Si2ii—Er—Si1ii | 81.14 (3) | Si2—Ni—Si1 | 120.27 (5) |
Si2iii—Er—Si1ii | 133.60 (3) | Si3i—Ni—Si1 | 75.27 (3) |
Si2iv—Er—Si1ii | 81.14 (3) | Si3iv—Ni—Si1 | 75.27 (3) |
Niii—Er—Si1ii | 43.803 (15) | Si1viii—Ni—Si1 | 119.46 (9) |
Nii—Er—Si1ii | 95.86 (2) | Si2—Ni—Erii | 66.287 (16) |
Niiii—Er—Si1ii | 95.86 (2) | Si3i—Ni—Erii | 139.527 (7) |
Niiv—Er—Si1ii | 43.803 (15) | Si3iv—Ni—Erii | 69.20 (3) |
Si2i—Er—Si1iii | 81.14 (3) | Si1viii—Ni—Erii | 139.730 (7) |
Si2ii—Er—Si1iii | 133.60 (3) | Si1—Ni—Erii | 69.05 (3) |
Si2iii—Er—Si1iii | 81.14 (3) | Si2—Ni—Eri | 66.287 (16) |
Si2iv—Er—Si1iii | 133.60 (3) | Si3i—Ni—Eri | 69.20 (3) |
Niii—Er—Si1iii | 95.86 (2) | Si3iv—Ni—Eri | 139.527 (7) |
Nii—Er—Si1iii | 43.803 (15) | Si1viii—Ni—Eri | 69.05 (3) |
Niiii—Er—Si1iii | 43.803 (15) | Si1—Ni—Eri | 139.730 (7) |
Niiv—Er—Si1iii | 95.86 (2) | Erii—Ni—Eri | 132.57 (3) |
Si1ii—Er—Si1iii | 79.21 (5) | Si2—Ni—Eriv | 66.287 (16) |
Si2i—Er—Si3 | 80.92 (4) | Si3i—Ni—Eriv | 139.527 (7) |
Si2ii—Er—Si3 | 133.80 (3) | Si3iv—Ni—Eriv | 69.20 (3) |
Si2iii—Er—Si3 | 133.80 (3) | Si1viii—Ni—Eriv | 69.05 (3) |
Si2iv—Er—Si3 | 80.92 (4) | Si1—Ni—Eriv | 139.730 (7) |
Niii—Er—Si3 | 96.08 (2) | Erii—Ni—Eriv | 80.892 (15) |
Nii—Er—Si3 | 43.606 (15) | Eri—Ni—Eriv | 80.493 (15) |
Niiii—Er—Si3 | 96.08 (2) | Si2—Ni—Eriii | 66.287 (16) |
Niiv—Er—Si3 | 43.606 (15) | Si3i—Ni—Eriii | 69.20 (3) |
Si1ii—Er—Si3 | 53.69 (2) | Si3iv—Ni—Eriii | 139.527 (7) |
Si1iii—Er—Si3 | 53.69 (2) | Si1viii—Ni—Eriii | 139.730 (7) |
Si2i—Er—Si3v | 133.80 (3) | Si1—Ni—Eriii | 69.05 (3) |
Si2ii—Er—Si3v | 80.92 (4) | Erii—Ni—Eriii | 80.493 (15) |
Si2iii—Er—Si3v | 80.92 (4) | Eri—Ni—Eriii | 80.892 (15) |
Si2iv—Er—Si3v | 133.80 (3) | Eriv—Ni—Eriii | 132.57 (3) |
Niii—Er—Si3v | 43.606 (15) | Niv—Si1—Ni | 119.46 (9) |
Nii—Er—Si3v | 96.08 (2) | Niv—Si1—Si1ix | 120.27 (5) |
Niiii—Er—Si3v | 43.606 (15) | Ni—Si1—Si1ix | 120.27 (5) |
Niiv—Er—Si3v | 96.08 (2) | Niv—Si1—Si3ii | 52.22 (3) |
Si1ii—Er—Si3v | 53.69 (2) | Ni—Si1—Si3ii | 127.68 (5) |
Si1iii—Er—Si3v | 53.69 (2) | Si1ix—Si1—Si3ii | 90.08 (6) |
Si3—Er—Si3v | 79.53 (5) | Niv—Si1—Si3i | 127.68 (5) |
Si2i—Er—Si2 | 46.26 (4) | Ni—Si1—Si3i | 52.22 (3) |
Si2ii—Er—Si2 | 98.973 (18) | Si1ix—Si1—Si3i | 90.08 (6) |
Si2iii—Er—Si2 | 98.973 (18) | Si3ii—Si1—Si3i | 179.84 (12) |
Si2iv—Er—Si2 | 46.26 (4) | Niv—Si1—Si3iii | 52.22 (3) |
Niii—Er—Si2 | 136.343 (15) | Ni—Si1—Si3iii | 127.68 (5) |
Nii—Er—Si2 | 84.03 (2) | Si1ix—Si1—Si3iii | 90.08 (6) |
Niiii—Er—Si2 | 136.343 (15) | Si3ii—Si1—Si3iii | 89.765 (11) |
Niiv—Er—Si2 | 84.03 (2) | Si3i—Si1—Si3iii | 90.235 (11) |
Si1ii—Er—Si2 | 126.40 (2) | Niv—Si1—Si3iv | 127.68 (5) |
Si1iii—Er—Si2 | 126.40 (2) | Ni—Si1—Si3iv | 52.22 (3) |
Si3—Er—Si2 | 100.61 (3) | Si1ix—Si1—Si3iv | 90.08 (6) |
Si3v—Er—Si2 | 179.85 (3) | Si3ii—Si1—Si3iv | 90.235 (11) |
Si2i—Er—Si2v | 98.973 (18) | Si3i—Si1—Si3iv | 89.765 (11) |
Si2ii—Er—Si2v | 46.26 (4) | Si3iii—Si1—Si3iv | 179.84 (12) |
Si2iii—Er—Si2v | 46.26 (4) | Niv—Si1—Erii | 67.15 (4) |
Si2iv—Er—Si2v | 98.973 (18) | Ni—Si1—Erii | 67.15 (4) |
Niii—Er—Si2v | 84.03 (2) | Si1ix—Si1—Erii | 140.39 (2) |
Nii—Er—Si2v | 136.343 (15) | Si3ii—Si1—Erii | 63.20 (4) |
Niiii—Er—Si2v | 84.03 (2) | Si3i—Si1—Erii | 116.67 (6) |
Niiv—Er—Si2v | 136.343 (15) | Si3iii—Si1—Erii | 116.67 (6) |
Si1ii—Er—Si2v | 126.40 (2) | Si3iv—Si1—Erii | 63.20 (4) |
Si1iii—Er—Si2v | 126.40 (2) | Niv—Si1—Eriii | 67.15 (4) |
Si3—Er—Si2v | 179.85 (3) | Ni—Si1—Eriii | 67.15 (4) |
Si3v—Er—Si2v | 100.61 (3) | Si1ix—Si1—Eriii | 140.39 (2) |
Si2—Er—Si2v | 79.24 (5) | Si3ii—Si1—Eriii | 116.67 (6) |
Si2i—Er—Ervi | 131.427 (12) | Si3i—Si1—Eriii | 63.20 (4) |
Si2ii—Er—Ervi | 48.573 (12) | Si3iii—Si1—Eriii | 63.20 (4) |
Si2iii—Er—Ervi | 131.427 (12) | Si3iv—Si1—Eriii | 116.67 (6) |
Si2iv—Er—Ervi | 48.573 (12) | Erii—Si1—Eriii | 79.21 (5) |
Niii—Er—Ervi | 49.754 (7) | Ni—Si2—Si2iv | 124.51 (7) |
Nii—Er—Ervi | 130.246 (7) | Ni—Si2—Si2i | 124.51 (7) |
Niiii—Er—Ervi | 130.246 (8) | Si2iv—Si2—Si2i | 110.98 (15) |
Niiv—Er—Ervi | 49.754 (7) | Ni—Si2—Eri | 69.66 (3) |
Si1ii—Er—Ervi | 50.39 (2) | Si2iv—Si2—Eri | 137.91 (3) |
Si1iii—Er—Ervi | 129.61 (2) | Si2i—Si2—Eri | 69.62 (3) |
Si3—Er—Ervi | 90.0 | Ni—Si2—Erii | 69.66 (3) |
Si3v—Er—Ervi | 90.0 | Si2iv—Si2—Erii | 69.62 (3) |
Si2—Er—Ervi | 90.0 | Si2i—Si2—Erii | 137.91 (3) |
Si2v—Er—Ervi | 90.0 | Eri—Si2—Erii | 139.32 (7) |
Si2i—Er—Ervii | 48.573 (12) | Ni—Si2—Eriv | 69.66 (3) |
Si2ii—Er—Ervii | 131.427 (12) | Si2iv—Si2—Eriv | 69.62 (3) |
Si2iii—Er—Ervii | 48.573 (12) | Si2i—Si2—Eriv | 137.91 (3) |
Si2iv—Er—Ervii | 131.427 (12) | Eri—Si2—Eriv | 82.85 (2) |
Niii—Er—Ervii | 130.246 (8) | Erii—Si2—Eriv | 83.27 (3) |
Nii—Er—Ervii | 49.754 (7) | Ni—Si2—Eriii | 69.66 (3) |
Niiii—Er—Ervii | 49.754 (7) | Si2iv—Si2—Eriii | 137.91 (3) |
Niiv—Er—Ervii | 130.246 (8) | Si2i—Si2—Eriii | 69.62 (3) |
Si1ii—Er—Ervii | 129.61 (2) | Eri—Si2—Eriii | 83.27 (3) |
Si1iii—Er—Ervii | 50.39 (2) | Erii—Si2—Eriii | 82.85 (2) |
Si3—Er—Ervii | 90.0 | Eriv—Si2—Eriii | 139.32 (7) |
Si3v—Er—Ervii | 90.0 | Ni—Si2—Er | 140.38 (2) |
Si2—Er—Ervii | 90.0 | Si2iv—Si2—Er | 64.13 (6) |
Si2v—Er—Ervii | 90.0 | Si2i—Si2—Er | 64.13 (6) |
Ervi—Er—Ervii | 180.0 | Eri—Si2—Er | 133.74 (4) |
Si2i—Er—Eriii | 50.86 (3) | Erii—Si2—Er | 81.027 (18) |
Si2ii—Er—Eriii | 91.65 (3) | Eriv—Si2—Er | 133.74 (4) |
Si2iii—Er—Eriii | 50.86 (3) | Eriii—Si2—Er | 81.027 (18) |
Si2iv—Er—Eriii | 91.65 (3) | Ni—Si2—Erviii | 140.38 (2) |
Niii—Er—Eriii | 132.127 (15) | Si2iv—Si2—Erviii | 64.13 (6) |
Nii—Er—Eriii | 91.512 (15) | Si2i—Si2—Erviii | 64.13 (6) |
Niiii—Er—Eriii | 91.512 (15) | Eri—Si2—Erviii | 81.027 (18) |
Niiv—Er—Eriii | 132.127 (15) | Erii—Si2—Erviii | 133.74 (4) |
Si1ii—Er—Eriii | 170.31 (2) | Eriv—Si2—Erviii | 81.027 (18) |
Si1iii—Er—Eriii | 110.48 (2) | Eriii—Si2—Erviii | 133.74 (4) |
Si3—Er—Eriii | 131.778 (18) | Er—Si2—Erviii | 79.24 (5) |
Si3v—Er—Eriii | 131.778 (18) | Nii—Si3—Niiv | 119.42 (9) |
Si2—Er—Eriii | 48.114 (18) | Nii—Si3—Si3x | 120.29 (5) |
Si2v—Er—Eriii | 48.114 (18) | Niiv—Si3—Si3x | 120.29 (5) |
Ervi—Er—Eriii | 119.914 (6) | Nii—Si3—Si1ii | 127.59 (5) |
Ervii—Er—Eriii | 60.086 (6) | Niiv—Si3—Si1ii | 52.51 (3) |
Si2i—Er—Erii | 91.65 (3) | Si3x—Si3—Si1ii | 89.92 (6) |
Si2ii—Er—Erii | 50.86 (3) | Nii—Si3—Si1i | 52.51 (3) |
Si2iii—Er—Erii | 91.65 (3) | Niiv—Si3—Si1i | 127.59 (5) |
Si2iv—Er—Erii | 50.86 (3) | Si3x—Si3—Si1i | 89.92 (6) |
Niii—Er—Erii | 91.512 (15) | Si1ii—Si3—Si1i | 179.84 (12) |
Nii—Er—Erii | 132.127 (15) | Nii—Si3—Si1iii | 52.51 (3) |
Niiii—Er—Erii | 132.127 (15) | Niiv—Si3—Si1iii | 127.59 (5) |
Niiv—Er—Erii | 91.512 (15) | Si3x—Si3—Si1iii | 89.92 (6) |
Si1ii—Er—Erii | 110.48 (2) | Si1ii—Si3—Si1iii | 89.765 (11) |
Si1iii—Er—Erii | 170.31 (2) | Si1i—Si3—Si1iii | 90.235 (11) |
Si3—Er—Erii | 131.778 (18) | Nii—Si3—Si1iv | 127.59 (5) |
Si3v—Er—Erii | 131.778 (18) | Niiv—Si3—Si1iv | 52.51 (3) |
Si2—Er—Erii | 48.114 (17) | Si3x—Si3—Si1iv | 89.92 (6) |
Si2v—Er—Erii | 48.114 (17) | Si1ii—Si3—Si1iv | 90.235 (11) |
Ervi—Er—Erii | 60.086 (6) | Si1i—Si3—Si1iv | 89.765 (11) |
Ervii—Er—Erii | 119.914 (6) | Si1iii—Si3—Si1iv | 179.84 (12) |
Eriii—Er—Erii | 59.827 (12) | Nii—Si3—Erviii | 67.19 (4) |
Si2i—Er—Erv | 131.635 (13) | Niiv—Si3—Erviii | 67.19 (4) |
Si2ii—Er—Erv | 48.365 (13) | Si3x—Si3—Erviii | 140.23 (2) |
Si2iii—Er—Erv | 48.365 (13) | Si1ii—Si3—Erviii | 117.02 (6) |
Si2iv—Er—Erv | 131.635 (13) | Si1i—Si3—Erviii | 63.11 (4) |
Niii—Er—Erv | 49.554 (8) | Si1iii—Si3—Erviii | 117.02 (6) |
Nii—Er—Erv | 130.446 (8) | Si1iv—Si3—Erviii | 63.11 (4) |
Niiii—Er—Erv | 49.554 (8) | Nii—Si3—Er | 67.19 (4) |
Niiv—Er—Erv | 130.446 (8) | Niiv—Si3—Er | 67.19 (4) |
Si1ii—Er—Erv | 90.0 | Si3x—Si3—Er | 140.23 (2) |
Si1iii—Er—Erv | 90.0 | Si1ii—Si3—Er | 63.12 (4) |
Si3—Er—Erv | 129.77 (2) | Si1i—Si3—Er | 117.02 (6) |
Si3v—Er—Erv | 50.23 (2) | Si1iii—Si3—Er | 63.11 (4) |
Si2—Er—Erv | 129.62 (2) | Si1iv—Si3—Er | 117.02 (6) |
Si2v—Er—Erv | 50.38 (2) | Erviii—Si3—Er | 79.53 (5) |
Symmetry codes: (i) −x−1/2, −y+1/2, −z; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x−1/2, −y+1/2, −z+1; (iv) −x+1/2, −y+1/2, −z; (v) x, y, z+1; (vi) x+1, y, z; (vii) x−1, y, z; (viii) x, y, z−1; (ix) −x, −y, −z+1; (x) −x, −y+1, −z. |