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The title compound, magnesium triiridium hepta­silicide, was synthesized by reaction of the elemental components in a sealed tantalum container. It crystallizes in space group R\overline{3}c and adopts the ScRh3Si7 structure type. Mg, Ir and one of the two cystallographically independent Si atoms are in special positions with site symmetries \overline{3}, 2 and 32, respectively. MgIr3Si7 shows metallic conductivity and remarkable chemical inertness.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806025323/wm2021sup1.cif
Contains datablocks global_, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806025323/wm2021Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](i-Si)= 0.003 Å
  • R factor = 0.018
  • wR factor = 0.044
  • Data-to-parameter ratio = 13.7

checkCIF/PLATON results

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Computing details top

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: Guinier film method (Bach, 1978); data reduction: X-AREA (Stoe & Cie, 2001); 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.

magnesium triiridium heptasilicide top
Crystal data top
MgIr3Si7Dx = 8.122 Mg m3
Mr = 797.54Melting point: not measured K
Trigonal, R3cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -R 3 2"cCell parameters from 28 reflections
a = 7.5232 (8) Åθ = 11.8–48.4°
c = 19.959 (3) ŵ = 62.33 mm1
V = 978.3 (2) Å3T = 294 K
Z = 6Parallelepiped, black
F(000) = 20460.06 × 0.04 × 0.03 mm
Data collection top
Stoe IPDS-I
diffractometer
274 independent reflections
Radiation source: fine-focus sealed tube241 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.048
ω scansθmax = 28.1°, θmin = 3.7°
Absorption correction: numerical
[X-RED (Stoe & Cie, 2001), after optimizing the crystal shape using X-SHAPE (Stoe & Cie, 1999)]
h = 99
Tmin = 0.096, Tmax = 0.306k = 99
2857 measured reflectionsl = 2626
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.018 w = 1/[σ2(Fo2) + (0.0238P)2 + 9.1966P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.044(Δ/σ)max < 0.001
S = 1.06Δρmax = 1.28 e Å3
274 reflectionsΔρmin = 1.28 e Å3
20 parametersExtinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.00157 (7)
Special details top

Experimental. A suitable single-crystal was carefully selected under a stereo microscope and mounted in a glass capillary. The scattering intensities were collected on an imaging plate diffractometer (IPDS I, Stoe & Cie) equipped with a fine focus sealed tube X-ray source (Mo Kα, λ = 0.71073 Å) operating at 50 kV and 40 mA. Intensity data for the title compound were collected at room temperature by ω-scans in 100 frames (0 < ω < 200°; Δω = 2°, exposure time of 7 min) in the 2 Θ range 2.9 to 56°. Structure solution and refinement were carried out using the programs SHELXS97 and SHELXL97 (Sheldrick, 1997). A numeric absorption correction was applied. The last cycles of refinement included atomic positions and anisotropic displacement parameters for all atoms. The final difference maps were free of any chemically significant features. The refinement was based on F2 for ALL reflections.

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
xyzUiso*/Ueq
Ir0.32379 (5)0.00000.25000.0043 (2)
Mg0.00000.00000.00000.0156 (12)
Si10.5372 (3)0.6797 (3)0.02944 (8)0.0084 (4)
Si20.00000.00000.25000.0048 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ir0.0044 (2)0.0046 (2)0.0039 (2)0.00228 (12)0.00025 (5)0.00050 (9)
Mg0.0190 (18)0.0190 (18)0.009 (2)0.0095 (9)0.0000.000
Si10.0110 (9)0.0070 (8)0.0071 (7)0.0045 (7)0.0012 (6)0.0006 (6)
Si20.0028 (11)0.0028 (11)0.0089 (18)0.0014 (6)0.0000.000
Geometric parameters (Å, º) top
Ir—Si1i2.4183 (18)Mg—Si1xxv3.1438 (18)
Ir—Si1ii2.4183 (18)Mg—Si1xxvi3.1438 (18)
Ir—Si22.4359 (4)Si1—Irxxvii2.4183 (18)
Ir—Si1iii2.4449 (17)Si1—Irxxviii2.4449 (17)
Ir—Si1iv2.4449 (17)Si1—Irvi2.5048 (17)
Ir—Si1v2.5048 (17)Si1—Si1xxi2.577 (3)
Ir—Si1vi2.5048 (17)Si1—Si1xxix2.577 (3)
Ir—Mgvii3.0398 (3)Si1—Si2xxviii2.6980 (17)
Ir—Mgv3.0398 (3)Si1—Si1xxx2.734 (3)
Ir—Si1viii3.6591 (18)Si1—Si1xxiv2.736 (3)
Ir—Si1ix3.6591 (18)Si1—Mgxxxi3.1168 (17)
Ir—Irx4.1248 (5)Si1—Mgxxxii3.1438 (18)
Ir—Irvi4.1249 (5)Si1—Si1xxxiii3.304 (2)
Ir—Irxi4.1880 (4)Si1—Si1xxxiv3.304 (2)
Mg—Irxii3.0398 (3)Si1—Si2vi3.3809 (17)
Mg—Irxiii3.0398 (3)Si1—Irxxxv3.6591 (18)
Mg—Irxiv3.0398 (3)Si2—Irxxxvi2.4359 (4)
Mg—Irvi3.0398 (3)Si2—Irxxxvii2.4359 (4)
Mg—Irxv3.0398 (3)Si2—Si1iv2.6980 (17)
Mg—Irix3.0398 (3)Si2—Si1xvii2.6980 (17)
Mg—Si1xvi3.1168 (17)Si2—Si1xix2.6980 (17)
Mg—Si1xvii3.1168 (17)Si2—Si1xxxviii2.6980 (17)
Mg—Si1xviii3.1168 (17)Si2—Si1xxxix2.6980 (17)
Mg—Si1xix3.1168 (17)Si2—Si1iii2.6980 (17)
Mg—Si1iii3.1168 (17)Si2—Si1xl3.3809 (17)
Mg—Si1xx3.1168 (17)Si2—Si1vi3.3809 (17)
Mg—Si1xxi3.1438 (18)Si2—Si1ix3.3809 (18)
Mg—Si1xxii3.1438 (18)Si2—Si1v3.3809 (17)
Mg—Si1xxiii3.1438 (18)Si2—Si1viii3.3809 (17)
Mg—Si1xxiv3.1438 (18)Si2—Si1xii3.3809 (17)
Si1i—Ir—Si1ii68.83 (8)Irvi—Si1—Si2xxviii107.16 (6)
Si1i—Ir—Si2145.58 (4)Si1xxi—Si1—Si2xxviii61.48 (3)
Si1ii—Ir—Si2145.58 (4)Si1xxix—Si1—Si2xxviii61.48 (3)
Si1i—Ir—Si1iii135.91 (5)Irxxvii—Si1—Si1xxx55.59 (4)
Si1ii—Ir—Si1iii85.60 (4)Irxxviii—Si1—Si1xxx121.84 (10)
Si2—Ir—Si1iii67.12 (4)Irvi—Si1—Si1xxx88.50 (6)
Si1i—Ir—Si1iv85.60 (4)Si1xxi—Si1—Si1xxx128.02 (7)
Si1ii—Ir—Si1iv135.91 (5)Si1xxix—Si1—Si1xxx109.78 (4)
Si2—Ir—Si1iv67.12 (4)Si2xxviii—Si1—Si1xxx163.81 (6)
Si1iii—Ir—Si1iv134.23 (9)Irxxvii—Si1—Si1xxiv169.54 (12)
Si1i—Ir—Si1v123.89 (2)Irxxviii—Si1—Si1xxiv57.49 (6)
Si1ii—Ir—Si1v63.09 (8)Irvi—Si1—Si1xxiv55.40 (6)
Si2—Ir—Si1v86.35 (4)Si1xxi—Si1—Si1xxiv76.85 (11)
Si1iii—Ir—Si1v67.11 (7)Si1xxix—Si1—Si1xxiv130.03 (10)
Si1iv—Ir—Si1v109.84 (6)Si2xxviii—Si1—Si1xxiv76.94 (7)
Si1i—Ir—Si1vi63.09 (8)Si1xxx—Si1—Si1xxiv116.58 (7)
Si1ii—Ir—Si1vi123.90 (2)Irxxvii—Si1—Mgxxxi65.20 (4)
Si2—Ir—Si1vi86.35 (4)Irxxviii—Si1—Mgxxxi173.40 (8)
Si1iii—Ir—Si1vi109.84 (6)Irvi—Si1—Mgxxxi64.39 (4)
Si1iv—Ir—Si1vi67.11 (7)Si1xxi—Si1—Mgxxxi65.58 (3)
Si1v—Ir—Si1vi172.70 (8)Si1xxix—Si1—Mgxxxi65.59 (3)
Si1i—Ir—Mgvii69.26 (4)Si2xxviii—Si1—Mgxxxi118.03 (6)
Si1ii—Ir—Mgvii68.56 (4)Si1xxx—Si1—Mgxxxi64.62 (6)
Si2—Ir—Mgvii115.855 (6)Si1xxiv—Si1—Mgxxxi119.47 (9)
Si1iii—Ir—Mgvii134.27 (4)Irxxvii—Si1—Mgxxxii64.73 (4)
Si1iv—Ir—Mgvii68.97 (4)Irxxviii—Si1—Mgxxxii64.49 (4)
Si1v—Ir—Mgvii67.62 (4)Irvi—Si1—Mgxxxii136.42 (7)
Si1vi—Ir—Mgvii115.87 (4)Si1xxi—Si1—Mgxxxii165.83 (6)
Si1i—Ir—Mgv68.56 (4)Si1xxix—Si1—Mgxxxii110.36 (9)
Si1ii—Ir—Mgv69.26 (4)Si2xxviii—Si1—Mgxxxii105.28 (5)
Si2—Ir—Mgv115.856 (6)Si1xxx—Si1—Mgxxxii63.60 (7)
Si1iii—Ir—Mgv68.97 (4)Si1xxiv—Si1—Mgxxxii106.16 (9)
Si1iv—Ir—Mgv134.27 (4)Mgxxxi—Si1—Mgxxxii121.82 (5)
Si1v—Ir—Mgv115.87 (4)Irxxvii—Si1—Si1xxxiii47.54 (3)
Si1vi—Ir—Mgv67.62 (4)Irxxviii—Si1—Si1xxxiii77.46 (6)
Mgvii—Ir—Mgv128.289 (12)Irvi—Si1—Si1xxxiii164.10 (7)
Si1i—Ir—Si1viii101.57 (5)Si1xxi—Si1—Si1xxxiii109.33 (9)
Si1ii—Ir—Si1viii121.99 (6)Si1xxix—Si1—Si1xxxiii53.74 (9)
Si2—Ir—Si1viii63.72 (3)Si2xxviii—Si1—Si1xxxiii67.69 (6)
Si1iii—Ir—Si1viii61.83 (4)Si1xxx—Si1—Si1xxxiii96.12 (5)
Si1iv—Ir—Si1viii97.34 (6)Si1xxiv—Si1—Si1xxxiii133.35 (11)
Si1v—Ir—Si1viii127.49 (6)Mgxxxi—Si1—Si1xxxiii103.93 (6)
Si1vi—Ir—Si1viii48.32 (6)Mgxxxii—Si1—Si1xxxiii58.295 (9)
Mgvii—Ir—Si1viii163.56 (3)Irxxvii—Si1—Si1xxxiv120.42 (4)
Mgv—Ir—Si1viii55.04 (3)Irxxviii—Si1—Si1xxxiv46.86 (5)
Si1i—Ir—Si1ix121.99 (6)Irvi—Si1—Si1xxxiv87.51 (6)
Si1ii—Ir—Si1ix101.58 (5)Si1xxi—Si1—Si1xxxiv126.26 (9)
Si2—Ir—Si1ix63.72 (3)Si1xxix—Si1—Si1xxxiv157.29 (6)
Si1iii—Ir—Si1ix97.34 (6)Si2xxviii—Si1—Si1xxxiv100.67 (8)
Si1iv—Ir—Si1ix61.83 (4)Si1xxx—Si1—Si1xxxiv83.70 (5)
Si1v—Ir—Si1ix48.32 (6)Si1xxiv—Si1—Si1xxxiv49.41 (9)
Si1vi—Ir—Si1ix127.49 (6)Mgxxxi—Si1—Si1xxxiv136.86 (8)
Mgvii—Ir—Si1ix55.04 (3)Mgxxxii—Si1—Si1xxxiv58.295 (9)
Mgv—Ir—Si1ix163.56 (3)Si1xxxiii—Si1—Si1xxxiv108.08 (6)
Si1viii—Ir—Si1ix127.44 (5)Irxxvii—Si1—Si2vi121.74 (6)
Si1i—Ir—Si1xvii172.73 (5)Irxxviii—Si1—Si2vi90.46 (5)
Si1ii—Ir—Si1xvii105.68 (4)Irvi—Si1—Si2vi45.97 (3)
Si2—Ir—Si1xvii40.09 (2)Si1xxi—Si1—Si2vi101.36 (9)
Si1iv—Ir—Si1xvii101.64 (5)Si1xxix—Si1—Si2vi154.37 (6)
Si1v—Ir—Si1xvii54.43 (5)Si2xxviii—Si1—Si2vi127.96 (6)
Si1vi—Ir—Si1xvii118.97 (3)Si1xxx—Si1—Si2vi66.15 (3)
Mgvii—Ir—Si1xvii113.78 (3)Si1xxiv—Si1—Si2vi51.02 (6)
Mgv—Ir—Si1xvii105.31 (3)Mgxxxi—Si1—Si2vi91.32 (4)
Si1viii—Ir—Si1xvii77.03 (5)Mgxxxii—Si1—Si2vi90.86 (4)
Si1ix—Ir—Si1xvii63.067 (16)Si1xxxiii—Si1—Si2vi149.15 (4)
Si1i—Ir—Si1xxxviii105.68 (4)Si1xxxiv—Si1—Si2vi47.59 (4)
Si1ii—Ir—Si1xxxviii172.73 (5)Irxxvii—Si1—Irxxxv90.60 (5)
Si1iii—Ir—Si1xxxviii101.64 (5)Irxxviii—Si1—Irxxxv84.14 (5)
Si1v—Ir—Si1xxxviii118.97 (3)Irvi—Si1—Irxxxv84.17 (5)
Si1vi—Ir—Si1xxxviii54.43 (5)Si1xxi—Si1—Irxxxv140.94 (8)
Mgvii—Ir—Si1xxxviii105.31 (3)Si1xxix—Si1—Irxxxv150.56 (8)
Mgv—Ir—Si1xxxviii113.78 (3)Si2xxviii—Si1—Irxxxv140.33 (6)
Si1viii—Ir—Si1xxxviii63.067 (16)Si1xxiv—Si1—Irxxxv79.39 (7)
Si1ix—Ir—Si1xxxviii77.03 (5)Mgxxxi—Si1—Irxxxv101.28 (4)
Si1xvii—Ir—Si1xxxviii80.18 (5)Mgxxxii—Si1—Irxxxv52.42 (3)
Si1i—Ir—Irx71.32 (4)Si1xxxiii—Si1—Irxxxv109.55 (3)
Si1ii—Ir—Irx139.85 (4)Irxxvii—Si1—Si1xliii84.86 (4)
Si2—Ir—Irx74.387 (9)Irvi—Si1—Si1xliii148.01 (4)
Si1iii—Ir—Irx128.28 (4)Si1xxi—Si1—Si1xliii117.22 (5)
Si1v—Ir—Irx143.47 (4)Si1xxix—Si1—Si1xliii86.17 (6)
Mgvii—Ir—Irx92.996 (10)Si2xxviii—Si1—Si1xliii55.89 (3)
Mgv—Ir—Irx100.514 (8)Si1xxx—Si1—Si1xliii112.12 (9)
Si1viii—Ir—Irx70.85 (3)Si1xxiv—Si1—Si1xliii92.84 (7)
Si1ix—Ir—Irx95.15 (3)Mgxxxi—Si1—Si1xliii146.02 (5)
Si1xvii—Ir—Irx114.43 (3)Mgxxxii—Si1—Si1xliii49.39 (4)
Si1i—Ir—Irvi139.85 (4)Si1xxxiv—Si1—Si1xliii71.60 (5)
Si1ii—Ir—Irvi71.32 (4)Si2vi—Si1—Si1xliii119.18 (7)
Si2—Ir—Irvi74.386 (9)Irxxxv—Si1—Si1xliii94.38 (6)
Si1iv—Ir—Irvi128.28 (4)Irxxvii—Si1—Si1v97.63 (4)
Si1vi—Ir—Irvi143.47 (4)Irxxviii—Si1—Si1v131.42 (7)
Mgvii—Ir—Irvi100.514 (8)Si1xxi—Si1—Si1v82.49 (6)
Mgv—Ir—Irvi92.997 (10)Si1xxix—Si1—Si1v114.56 (5)
Si1viii—Ir—Irvi95.15 (3)Si2xxviii—Si1—Si1v140.88 (6)
Si1ix—Ir—Irvi70.85 (3)Si1xxx—Si1—Si1v54.18 (4)
Si1xxxviii—Ir—Irvi114.43 (3)Si1xxiv—Si1—Si1v80.65 (7)
Irx—Ir—Irvi148.773 (19)Mgxxxi—Si1—Si1v49.97 (3)
Si1i—Ir—Si1xix141.62 (4)Mgxxxii—Si1—Si1v111.59 (6)
Si1ii—Ir—Si1xix120.68 (3)Si1xxxiii—Si1—Si1v145.17 (5)
Si1v—Ir—Si1xix89.265 (18)Si1xxxiv—Si1—Si1v88.13 (8)
Si1vi—Ir—Si1xix85.00 (5)Irxxxv—Si1—Si1v63.29 (5)
Mgvii—Ir—Si1xix148.59 (3)Si1xliii—Si1—Si1v157.47 (10)
Mgv—Ir—Si1xix80.25 (2)Irxxvii—Si1—Irxliv74.32 (4)
Si1viii—Ir—Si1xix40.44 (5)Irxxviii—Si1—Irxliv76.45 (4)
Si1ix—Ir—Si1xix93.81 (2)Irvi—Si1—Irxliv130.18 (6)
Si1xxxviii—Ir—Si1xix66.60 (4)Si1xxi—Si1—Irxliv73.54 (4)
Irx—Ir—Si1xix93.94 (3)Si1xxx—Si1—Irxliv129.67 (3)
Irvi—Ir—Si1xix60.60 (2)Si1xxiv—Si1—Irxliv112.41 (8)
Si1i—Ir—Si1xxxix120.68 (3)Mgxxxi—Si1—Irxliv100.57 (4)
Si1ii—Ir—Si1xxxix141.62 (4)Mgxxxii—Si1—Irxliv92.72 (4)
Si1iii—Ir—Si1xxxix101.84 (5)Si1xxxiv—Si1—Irxliv122.45 (7)
Si1v—Ir—Si1xxxix85.01 (5)Si2vi—Si1—Irxliv163.30 (5)
Si1vi—Ir—Si1xxxix89.264 (18)Irxxxv—Si1—Irxliv144.99 (5)
Mgvii—Ir—Si1xxxix80.25 (2)Si1xliii—Si1—Irxliv53.64 (3)
Mgv—Ir—Si1xxxix148.59 (3)Si1v—Si1—Irxliv148.54 (7)
Si1viii—Ir—Si1xxxix93.81 (2)Irxxvii—Si1—Irxiii129.78 (6)
Si1xvii—Ir—Si1xxxix66.60 (4)Irxxviii—Si1—Irxiii74.66 (4)
Irx—Ir—Si1xxxix60.60 (2)Irvi—Si1—Irxiii73.43 (4)
Irvi—Ir—Si1xxxix93.94 (3)Si1xxix—Si1—Irxiii69.87 (4)
Si1xix—Ir—Si1xxxix76.68 (5)Si1xxx—Si1—Irxiii159.87 (9)
Si1ii—Ir—Si1xli88.66 (5)Si1xxiv—Si1—Irxiii60.17 (7)
Si2—Ir—Si1xli120.88 (2)Mgxxxi—Si1—Irxiii98.74 (4)
Si1iii—Ir—Si1xli114.12 (4)Mgxxxii—Si1—Irxiii136.22 (5)
Si1iv—Ir—Si1xli89.46 (5)Si1xxxiii—Si1—Irxiii99.08 (6)
Si1v—Ir—Si1xli151.74 (4)Si1xxxiv—Si1—Irxiii103.86 (6)
Si1vi—Ir—Si1xli35.37 (4)Si2vi—Si1—Irxiii104.98 (4)
Mgvii—Ir—Si1xli102.71 (2)Irxxxv—Si1—Irxiii139.56 (5)
Mgv—Ir—Si1xli48.12 (2)Si1xliii—Si1—Irxiii88.01 (4)
Si1viii—Ir—Si1xli67.02 (2)Si1v—Si1—Irxiii106.82 (4)
Si1ix—Ir—Si1xli147.66 (5)Irxliv—Si1—Irxiii61.88 (3)
Si1xvii—Ir—Si1xli143.47 (4)Irxxvii—Si1—Irxlv79.04 (4)
Si1xxxviii—Ir—Si1xli88.954 (11)Irxxviii—Si1—Irxlv127.70 (6)
Irx—Ir—Si1xli59.95 (2)Irvi—Si1—Irxlv78.23 (4)
Irvi—Ir—Si1xli140.99 (2)Si2xxviii—Si1—Irxlv71.49 (4)
Si1xix—Ir—Si1xli107.27 (4)Si1xxx—Si1—Irxlv108.90 (7)
Si1xxxix—Ir—Si1xli120.55 (3)Si1xxiv—Si1—Irxlv111.09 (9)
Si1i—Ir—Si1xlii88.66 (5)Mgxxxi—Si1—Irxlv46.56 (2)
Si1ii—Ir—Si1xlii34.56 (4)Mgxxxii—Si1—Irxlv140.42 (5)
Si2—Ir—Si1xlii120.88 (2)Si1xxxiii—Si1—Irxlv85.88 (5)
Si1iii—Ir—Si1xlii89.46 (5)Si1xxxiv—Si1—Irxlv160.48 (5)
Si1iv—Ir—Si1xlii114.12 (5)Si2vi—Si1—Irxlv123.00 (5)
Si1v—Ir—Si1xlii35.37 (5)Irxxxv—Si1—Irxlv147.66 (5)
Si1vi—Ir—Si1xlii151.74 (4)Si1xliii—Si1—Irxlv114.78 (6)
Mgvii—Ir—Si1xlii48.12 (2)Si1v—Si1—Irxlv87.59 (5)
Mgv—Ir—Si1xlii102.70 (2)Irxliv—Si1—Irxlv61.15 (3)
Si1viii—Ir—Si1xlii147.66 (5)Irxiii—Si1—Irxlv59.46 (3)
Si1ix—Ir—Si1xlii67.02 (2)Irxxviii—Si1—Si1xlvi109.83 (5)
Si1xvii—Ir—Si1xlii88.955 (11)Irvi—Si1—Si1xlvi121.27 (7)
Si1xxxviii—Ir—Si1xlii143.47 (4)Si1xxi—Si1—Si1xlvi137.77 (7)
Irx—Ir—Si1xlii140.99 (2)Si1xxix—Si1—Si1xlvi88.66 (9)
Irvi—Ir—Si1xlii59.95 (2)Si2xxviii—Si1—Si1xlvi129.89 (6)
Si1xix—Ir—Si1xlii120.55 (3)Si1xxiv—Si1—Si1xlvi141.10 (11)
Si1xxxix—Ir—Si1xlii107.27 (4)Mgxxxi—Si1—Si1xlvi76.26 (6)
Si1xli—Ir—Si1xlii118.24 (5)Mgxxxii—Si1—Si1xlvi45.797 (16)
Si1i—Ir—Irxi94.16 (4)Si1xxxiii—Si1—Si1xlvi62.207 (19)
Si1ii—Ir—Irxi114.03 (4)Si1xxxiv—Si1—Si1xlvi93.85 (3)
Si2—Ir—Irxi73.093 (4)Si2vi—Si1—Si1xlvi96.78 (6)
Si1iii—Ir—Irxi129.54 (4)Irxxxv—Si1—Si1xlvi62.14 (4)
Si1v—Ir—Irxi80.91 (4)Si1xliii—Si1—Si1xlvi85.00 (4)
Si1vi—Ir—Irxi96.94 (4)Si1v—Si1—Si1xlvi86.71 (5)
Mgvii—Ir—Irxi46.458 (4)Irxliv—Si1—Si1xlvi97.40 (5)
Mgv—Ir—Irxi160.480 (1)Irxiii—Si1—Si1xlvi157.83 (7)
Si1viii—Ir—Irxi123.82 (3)Irxlv—Si1—Si1xlvi104.90 (6)
Si1ix—Ir—Irxi35.50 (3)Irxxxvi—Si2—Irxxxvii120.0
Si1xvii—Ir—Irxi92.49 (3)Irxxxvi—Si2—Ir120.0
Si1xxxviii—Ir—Irxi60.77 (3)Irxxxvii—Si2—Ir120.0
Irx—Ir—Irxi64.026 (10)Irxxxvi—Si2—Si1iv107.60 (4)
Irvi—Ir—Irxi106.345 (10)Irxxxvii—Si2—Si1iv104.36 (4)
Si1xix—Ir—Irxi111.30 (2)Ir—Si2—Si1iv56.60 (4)
Si1xxxix—Ir—Irxi34.98 (2)Irxxxvi—Si2—Si1xvii107.60 (4)
Si1xli—Ir—Irxi112.40 (2)Irxxxvii—Si2—Si1xvii56.60 (4)
Si1xlii—Ir—Irxi85.26 (2)Ir—Si2—Si1xvii104.36 (4)
Irxii—Mg—Irxiii180.000 (5)Si1iv—Si2—Si1xvii144.80 (8)
Irxii—Mg—Irxiv87.081 (7)Irxxxvi—Si2—Si1xix56.60 (4)
Irxiii—Mg—Irxiv92.919 (7)Irxxxvii—Si2—Si1xix104.36 (4)
Irxii—Mg—Irvi92.919 (7)Ir—Si2—Si1xix107.60 (4)
Irxiii—Mg—Irvi87.081 (7)Si1iv—Si2—Si1xix151.27 (7)
Irxiv—Mg—Irvi180.0Si1xvii—Si2—Si1xix57.05 (6)
Irxii—Mg—Irxv87.082 (7)Irxxxvi—Si2—Si1xxxviii56.60 (4)
Irxiii—Mg—Irxv92.918 (7)Irxxxvii—Si2—Si1xxxviii107.60 (4)
Irxiv—Mg—Irxv92.918 (7)Ir—Si2—Si1xxxviii104.36 (4)
Irvi—Mg—Irxv87.082 (7)Si1iv—Si2—Si1xxxviii57.05 (6)
Irxii—Mg—Irix92.918 (7)Si1xvii—Si2—Si1xxxviii151.27 (7)
Irxiii—Mg—Irix87.082 (7)Si1xix—Si2—Si1xxxviii113.20 (7)
Irxiv—Mg—Irix87.082 (7)Irxxxvi—Si2—Si1xxxix104.36 (4)
Irvi—Mg—Irix92.918 (7)Irxxxvii—Si2—Si1xxxix56.60 (4)
Irxv—Mg—Irix180.0Ir—Si2—Si1xxxix107.60 (4)
Irxii—Mg—Si1xvi94.68 (3)Si1iv—Si2—Si1xxxix57.04 (6)
Irxiii—Mg—Si1xvi85.32 (3)Si1xvii—Si2—Si1xxxix113.20 (7)
Irxiv—Mg—Si1xvi46.23 (3)Si1xix—Si2—Si1xxxix144.80 (7)
Irvi—Mg—Si1xvi133.77 (3)Si1xxxviii—Si2—Si1xxxix57.04 (6)
Irxv—Mg—Si1xvi47.99 (3)Irxxxvi—Si2—Si1iii104.36 (4)
Irix—Mg—Si1xvi132.01 (3)Irxxxvii—Si2—Si1iii107.60 (4)
Irxii—Mg—Si1xvii85.32 (3)Ir—Si2—Si1iii56.60 (4)
Irxiii—Mg—Si1xvii94.68 (3)Si1iv—Si2—Si1iii113.20 (7)
Irxiv—Mg—Si1xvii133.77 (3)Si1xvii—Si2—Si1iii57.05 (6)
Irvi—Mg—Si1xvii46.23 (3)Si1xix—Si2—Si1iii57.04 (6)
Irxv—Mg—Si1xvii132.01 (3)Si1xxxviii—Si2—Si1iii144.80 (7)
Irix—Mg—Si1xvii47.99 (3)Si1xxxix—Si2—Si1iii151.27 (7)
Si1xvi—Mg—Si1xvii180.00 (7)Irxxxvi—Si2—Si1xl76.03 (3)
Irxii—Mg—Si1xviii132.01 (3)Irxxxvii—Si2—Si1xl47.68 (3)
Irxiii—Mg—Si1xviii47.99 (3)Ir—Si2—Si1xl156.15 (3)
Irxiv—Mg—Si1xviii85.32 (3)Si1iv—Si2—Si1xl139.56 (6)
Irvi—Mg—Si1xviii94.68 (3)Si1xvii—Si2—Si1xl52.04 (6)
Irxv—Mg—Si1xviii46.24 (3)Si1xix—Si2—Si1xl64.72 (5)
Irix—Mg—Si1xviii133.76 (3)Si1xxxviii—Si2—Si1xl99.29 (3)
Si1xvi—Mg—Si1xviii48.83 (5)Si1xxxix—Si2—Si1xl82.75 (3)
Si1xvii—Mg—Si1xviii131.17 (5)Si1iii—Si2—Si1xl104.23 (3)
Irxii—Mg—Si1xix47.99 (3)Irxxxvi—Si2—Si1vi76.03 (3)
Irxiii—Mg—Si1xix132.01 (3)Irxxxvii—Si2—Si1vi156.15 (3)
Irxiv—Mg—Si1xix94.68 (3)Ir—Si2—Si1vi47.68 (3)
Irvi—Mg—Si1xix85.32 (3)Si1iv—Si2—Si1vi52.04 (6)
Irxv—Mg—Si1xix133.76 (3)Si1xvii—Si2—Si1vi139.56 (6)
Irix—Mg—Si1xix46.24 (3)Si1xix—Si2—Si1vi99.29 (3)
Si1xvi—Mg—Si1xix131.17 (5)Si1xxxviii—Si2—Si1vi64.72 (5)
Si1xvii—Mg—Si1xix48.83 (5)Si1xxxix—Si2—Si1vi104.23 (3)
Si1xviii—Mg—Si1xix180.00 (8)Si1iii—Si2—Si1vi82.75 (3)
Irxii—Mg—Si1iii46.23 (3)Si1xl—Si2—Si1vi152.07 (6)
Irxiii—Mg—Si1iii133.77 (3)Irxxxvi—Si2—Si1ix156.15 (3)
Irxiv—Mg—Si1iii132.01 (3)Irxxxvii—Si2—Si1ix47.68 (3)
Irvi—Mg—Si1iii47.99 (3)Ir—Si2—Si1ix76.04 (3)
Irxv—Mg—Si1iii94.68 (3)Si1iv—Si2—Si1ix64.72 (5)
Irix—Mg—Si1iii85.32 (3)Si1xvii—Si2—Si1ix82.75 (3)
Si1xvi—Mg—Si1iii131.17 (5)Si1xix—Si2—Si1ix139.56 (6)
Si1xvii—Mg—Si1iii48.83 (5)Si1xxxviii—Si2—Si1ix104.23 (3)
Si1xviii—Mg—Si1iii131.17 (5)Si1xxxix—Si2—Si1ix52.04 (6)
Si1xix—Mg—Si1iii48.83 (5)Si1iii—Si2—Si1ix99.29 (3)
Irxii—Mg—Si1xx133.77 (3)Si1xl—Si2—Si1ix95.35 (6)
Irxiii—Mg—Si1xx46.23 (3)Si1vi—Si2—Si1ix110.37 (3)
Irxiv—Mg—Si1xx47.99 (3)Irxxxvi—Si2—Si1v156.15 (3)
Irvi—Mg—Si1xx132.01 (3)Irxxxvii—Si2—Si1v76.04 (3)
Irxv—Mg—Si1xx85.32 (3)Ir—Si2—Si1v47.68 (3)
Irix—Mg—Si1xx94.68 (3)Si1iv—Si2—Si1v82.75 (3)
Si1xvi—Mg—Si1xx48.83 (5)Si1xvii—Si2—Si1v64.72 (5)
Si1xvii—Mg—Si1xx131.17 (5)Si1xix—Si2—Si1v104.23 (3)
Si1xviii—Mg—Si1xx48.83 (5)Si1xxxviii—Si2—Si1v139.56 (6)
Si1xix—Mg—Si1xx131.17 (5)Si1xxxix—Si2—Si1v99.29 (3)
Si1iii—Mg—Si1xx180.00 (8)Si1iii—Si2—Si1v52.04 (6)
Irxii—Mg—Si1xxi133.46 (3)Si1xl—Si2—Si1v110.37 (3)
Irxiii—Mg—Si1xxi46.54 (3)Si1vi—Si2—Si1v95.35 (6)
Irxiv—Mg—Si1xxi133.99 (3)Si1ix—Si2—Si1v47.69 (6)
Irvi—Mg—Si1xxi46.01 (3)Irxxxvi—Si2—Si1viii47.68 (3)
Irxv—Mg—Si1xxi107.46 (3)Irxxxvii—Si2—Si1viii156.15 (3)
Irix—Mg—Si1xxi72.54 (3)Ir—Si2—Si1viii76.03 (3)
Si1xvi—Mg—Si1xxi128.22 (6)Si1iv—Si2—Si1viii99.29 (3)
Si1xvii—Mg—Si1xxi51.78 (6)Si1xvii—Si2—Si1viii104.23 (3)
Si1xviii—Mg—Si1xxi80.63 (3)Si1xix—Si2—Si1viii52.04 (6)
Si1xix—Mg—Si1xxi99.37 (3)Si1xxxviii—Si2—Si1viii82.75 (3)
Si1iii—Mg—Si1xxi87.89 (3)Si1xxxix—Si2—Si1viii139.56 (6)
Si1xx—Mg—Si1xxi92.11 (3)Si1iii—Si2—Si1viii64.72 (5)
Irxii—Mg—Si1xxii72.54 (3)Si1xl—Si2—Si1viii110.37 (3)
Irxiii—Mg—Si1xxii107.46 (3)Si1vi—Si2—Si1viii47.69 (6)
Irxiv—Mg—Si1xxii46.54 (3)Si1ix—Si2—Si1viii152.07 (6)
Irvi—Mg—Si1xxii133.46 (3)Si1v—Si2—Si1viii110.37 (3)
Irxv—Mg—Si1xxii133.99 (3)Irxxxvi—Si2—Si1xii47.68 (3)
Irix—Mg—Si1xxii46.01 (3)Irxxxvii—Si2—Si1xii76.03 (3)
Si1xvi—Mg—Si1xxii92.11 (3)Ir—Si2—Si1xii156.15 (3)
Si1xvii—Mg—Si1xxii87.89 (3)Si1iv—Si2—Si1xii104.23 (3)
Si1xviii—Mg—Si1xxii128.22 (6)Si1xvii—Si2—Si1xii99.29 (3)
Si1xix—Mg—Si1xxii51.78 (6)Si1xix—Si2—Si1xii82.75 (3)
Si1iii—Mg—Si1xxii99.37 (3)Si1xxxviii—Si2—Si1xii52.04 (6)
Si1xx—Mg—Si1xxii80.63 (3)Si1xxxix—Si2—Si1xii64.72 (5)
Si1xxi—Mg—Si1xxii116.590 (18)Si1iii—Si2—Si1xii139.56 (6)
Irxii—Mg—Si1xxiii46.54 (3)Si1xl—Si2—Si1xii47.69 (6)
Irxiii—Mg—Si1xxiii133.46 (3)Si1vi—Si2—Si1xii110.37 (3)
Irxiv—Mg—Si1xxiii46.01 (3)Si1ix—Si2—Si1xii110.37 (3)
Irvi—Mg—Si1xxiii133.99 (3)Si1v—Si2—Si1xii152.07 (6)
Irxv—Mg—Si1xxiii72.54 (3)Si1viii—Si2—Si1xii95.35 (6)
Irix—Mg—Si1xxiii107.46 (3)Irxxxvi—Si2—Irxii71.546 (5)
Si1xvi—Mg—Si1xxiii51.78 (6)Irxxxvii—Si2—Irxii127.399 (5)
Si1xvii—Mg—Si1xxiii128.22 (6)Ir—Si2—Irxii73.093 (3)
Si1xviii—Mg—Si1xxiii99.37 (3)Si1iv—Si2—Irxii121.28 (4)
Si1xix—Mg—Si1xxiii80.63 (3)Si1xvii—Si2—Irxii70.86 (4)
Si1iii—Mg—Si1xxiii92.11 (3)Si1xxxviii—Si2—Irxii118.17 (4)
Si1xx—Mg—Si1xxiii87.89 (3)Si1xxxix—Si2—Irxii175.22 (4)
Si1xxi—Mg—Si1xxiii180.00 (6)Si1xl—Si2—Irxii98.41 (3)
Si1xxii—Mg—Si1xxiii63.410 (18)Si1vi—Si2—Irxii72.60 (3)
Irxii—Mg—Si1xxiv107.46 (3)Si1ix—Si2—Irxii132.19 (3)
Irxiii—Mg—Si1xxiv72.54 (3)Si1v—Si2—Irxii84.69 (3)
Irxiv—Mg—Si1xxiv133.46 (3)Si1xii—Si2—Irxii112.69 (3)
Irvi—Mg—Si1xxiv46.54 (3)Irxxxvi—Si2—Irxlvii71.546 (5)
Irxv—Mg—Si1xxiv46.01 (3)Irxxxvii—Si2—Irxlvii73.093 (3)
Irix—Mg—Si1xxiv133.99 (3)Ir—Si2—Irxlvii127.399 (5)
Si1xvi—Mg—Si1xxiv87.89 (3)Si1iv—Si2—Irxlvii70.86 (4)
Si1xvii—Mg—Si1xxiv92.11 (3)Si1xvii—Si2—Irxlvii121.28 (4)
Si1xviii—Mg—Si1xxiv51.78 (6)Si1xix—Si2—Irxlvii118.17 (4)
Si1xix—Mg—Si1xxiv128.22 (6)Si1iii—Si2—Irxlvii175.22 (4)
Si1iii—Mg—Si1xxiv80.63 (3)Si1xl—Si2—Irxlvii72.60 (3)
Si1xx—Mg—Si1xxiv99.37 (3)Si1vi—Si2—Irxlvii98.41 (3)
Si1xxi—Mg—Si1xxiv63.410 (18)Si1ix—Si2—Irxlvii84.69 (3)
Si1xxii—Mg—Si1xxiv180.00 (6)Si1v—Si2—Irxlvii132.19 (3)
Si1xxiii—Mg—Si1xxiv116.590 (18)Si1viii—Si2—Irxlvii112.69 (3)
Irxii—Mg—Si1xxv133.99 (3)Irxii—Si2—Irxlvii143.091 (10)
Irxiii—Mg—Si1xxv46.01 (3)Irxxxvi—Si2—Irxi127.399 (5)
Irxiv—Mg—Si1xxv72.54 (3)Irxxxvii—Si2—Irxi71.546 (5)
Irvi—Mg—Si1xxv107.46 (3)Ir—Si2—Irxi73.093 (3)
Irxv—Mg—Si1xxv133.46 (3)Si1xvii—Si2—Irxi118.17 (4)
Irix—Mg—Si1xxv46.54 (3)Si1xix—Si2—Irxi175.22 (4)
Si1xvi—Mg—Si1xxv99.37 (3)Si1xxxviii—Si2—Irxi70.86 (4)
Si1xvii—Mg—Si1xxv80.63 (3)Si1iii—Si2—Irxi121.28 (4)
Si1xviii—Mg—Si1xxv87.89 (3)Si1xl—Si2—Irxi112.69 (3)
Si1xix—Mg—Si1xxv92.11 (3)Si1vi—Si2—Irxi84.69 (3)
Si1iii—Mg—Si1xxv128.23 (6)Si1v—Si2—Irxi72.60 (3)
Si1xx—Mg—Si1xxv51.77 (6)Si1viii—Si2—Irxi132.19 (3)
Si1xxi—Mg—Si1xxv63.410 (18)Si1xii—Si2—Irxi98.41 (3)
Si1xxii—Mg—Si1xxv63.410 (18)Irxii—Si2—Irxi146.186 (7)
Si1xxiii—Mg—Si1xxv116.590 (18)Irxlvii—Si2—Irxi63.492 (9)
Si1xxiv—Mg—Si1xxv116.590 (18)Irxxxvi—Si2—Irvi127.399 (5)
Irxii—Mg—Si1xxvi46.01 (3)Irxxxvii—Si2—Irvi73.093 (4)
Irxiii—Mg—Si1xxvi133.99 (3)Ir—Si2—Irvi71.546 (5)
Irxiv—Mg—Si1xxvi107.46 (3)Si1iv—Si2—Irvi118.17 (4)
Irvi—Mg—Si1xxvi72.54 (3)Si1xix—Si2—Irvi70.86 (4)
Irxv—Mg—Si1xxvi46.54 (3)Si1xxxviii—Si2—Irvi175.22 (4)
Irix—Mg—Si1xxvi133.46 (3)Si1xxxix—Si2—Irvi121.28 (4)
Si1xvi—Mg—Si1xxvi80.63 (3)Si1xl—Si2—Irvi84.69 (3)
Si1xvii—Mg—Si1xxvi99.37 (3)Si1vi—Si2—Irvi112.69 (3)
Si1xviii—Mg—Si1xxvi92.11 (3)Si1ix—Si2—Irvi72.60 (3)
Si1xix—Mg—Si1xxvi87.89 (3)Si1viii—Si2—Irvi98.41 (3)
Si1iii—Mg—Si1xxvi51.77 (6)Si1xii—Si2—Irvi132.19 (3)
Si1xx—Mg—Si1xxvi128.23 (6)Irxii—Si2—Irvi63.492 (9)
Si1xxi—Mg—Si1xxvi116.590 (18)Irxlvii—Si2—Irvi146.186 (7)
Si1xxii—Mg—Si1xxvi116.590 (18)Irxi—Si2—Irvi105.201 (11)
Si1xxiii—Mg—Si1xxvi63.410 (18)Irxxxvi—Si2—Irix73.093 (3)
Si1xxiv—Mg—Si1xxvi63.410 (18)Irxxxvii—Si2—Irix71.545 (5)
Si1xxv—Mg—Si1xxvi180.00 (6)Ir—Si2—Irix127.400 (5)
Irxxvii—Si1—Irxxviii118.90 (7)Si1iv—Si2—Irix175.21 (4)
Irxxvii—Si1—Irvi127.05 (7)Si1xxxix—Si2—Irix118.17 (4)
Irxxviii—Si1—Irvi112.89 (7)Si1iii—Si2—Irix70.86 (4)
Irxxvii—Si1—Si1xxi113.27 (7)Si1vi—Si2—Irix132.19 (3)
Irxxviii—Si1—Si1xxi107.83 (5)Si1ix—Si2—Irix112.69 (3)
Irvi—Si1—Si1xxi56.82 (7)Si1v—Si2—Irix98.41 (3)
Irxxvii—Si1—Si1xxix60.09 (7)Si1viii—Si2—Irix84.69 (3)
Irxxviii—Si1—Si1xxix111.28 (5)Si1xii—Si2—Irix72.60 (3)
Irvi—Si1—Si1xxix110.39 (7)Irxii—Si2—Irix63.492 (9)
Si1xxi—Si1—Si1xxix60.0Irxlvii—Si2—Irix105.201 (11)
Irxxvii—Si1—Si2xxviii109.76 (6)Irxi—Si2—Irix143.092 (10)
Irxxviii—Si1—Si2xxviii56.28 (4)Irvi—Si2—Irix63.492 (9)
Symmetry codes: (i) xy+2/3, x2/3, z+1/3; (ii) y+4/3, x+2/3, z+1/6; (iii) xy+1/3, y+2/3, z+1/6; (iv) x1/3, y2/3, z+1/3; (v) x+y+1/3, y1/3, z+1/6; (vi) x+2/3, y+1/3, z+1/3; (vii) x+2/3, y+1/3, z+1/3; (viii) x2/3, xy1/3, z+1/6; (ix) y1/3, x+y+1/3, z+1/3; (x) x+1/3, y1/3, z+2/3; (xi) y+1/3, x+y+2/3, z+2/3; (xii) xy1/3, x2/3, z+1/3; (xiii) x+y+1/3, x+2/3, z1/3; (xiv) x2/3, y1/3, z1/3; (xv) y+1/3, xy1/3, z1/3; (xvi) y+2/3, x+1/3, z1/6; (xvii) y2/3, x1/3, z+1/6; (xviii) x1/3, xy+1/3, z1/6; (xix) x+1/3, x+y1/3, z+1/6; (xx) x+y1/3, y2/3, z1/6; (xxi) x+y, x+1, z; (xxii) x1, y1, z; (xxiii) xy, x1, z; (xxiv) x+1, y+1, z; (xxv) y1, x+y, z; (xxvi) y+1, xy, z; (xxvii) y+2/3, x+y+4/3, z+1/3; (xxviii) x+1/3, y+2/3, z1/3; (xxix) y+1, xy+1, z; (xxx) x+4/3, x+y+2/3, z+1/6; (xxxi) x+y+1/3, y+2/3, z+1/6; (xxxii) x+1, y+1, z; (xxxiii) y, x+y+1, z; (xxxiv) xy+1, x, z; (xxxv) xy+2/3, x+1/3, z+1/3; (xxxvi) x+y, x, z; (xxxvii) y, xy, z; (xxxviii) x+y1/3, x+1/3, z+1/3; (xxxix) y+2/3, xy+1/3, z+1/3; (xl) y+1/3, x+2/3, z+1/6; (xli) y1/3, x+y2/3, z+1/3; (xlii) x+1/3, xy+2/3, z+1/6; (xliii) x+y+2/3, y+1/3, z1/6; (xliv) y+1/3, xy+2/3, z1/3; (xlv) xy1/3, x+1/3, z+1/3; (xlvi) y+1/3, x+2/3, z+1/6; (xlvii) xy2/3, x1/3, z+2/3.
 

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