HTML report created by T.R. [CDIFX/ISCR] - Date: 28-04-2022 at 16:58:48
Working directory: d:\structures\uni03ge2_sc_wroclaw
Input CIF file : archive.cif
CRYSCALC version : 22.02 [Thierry Roisnel (CDIFX/PRTS/ISCR UMR6226 CNRS - Univ Rennes)]



Crystal structure report for uni0.3ge2_1


  X-ray crystallographic study

(0.25(Ge8Ni1.35U4)); M = 403.02. A suitable crystal for X-ray diffraction single crystal experiment (black irregular, dimensions = 0.16 x 0.056 x 0.026 mm) was selected and mounted on the goniometer head of a ? (?) diffractometer equipped with a CCD plate detector,  using Mo- radiation (λ = 0.71073 Å, multilayer monochromator) at T = 295 K. Crystal structure has been described in orthorhombic symmetry and C m c m (I.T.#63) centric space group. Cell parameters have been refined as follows: a = 4.1000(2), b = 15.8711(9), c = 4.0195(2) Å, V = 261.55(2) Å3. Number of formula unit Z is equal to 4 and calculated density d and absorption coefficient µ values are 10.235 g.cm-3 and 86.563 mm-1 respectively. Crystal structure was solved by dual-space algorithm using SHELXT program [1], (SHELXL-2014 [2]). All non-Hydrogen atoms were refined with anisotropic atomic displacement parameters. H atoms were finally included in their calculated positions and treated as riding on their parent atom with constrained thermal parameters. A final refinement on F2 with 242 unique intensities and 19 parameters converged at ωRF2 = 0.0407 (RF = 0.0190) for 224 observed reflections with I > 2σ(I).

[1]   G. M. Sheldrick, Acta Cryst. A71 2015 3-8
[1]   Sheldrick G.M., Acta Cryst. C71 2015 3-8


  Structural data

          Crystal data
          Empirical formula                      Ge2Ni0.34U
          Extended  formula                      0.25(Ge8Ni1.35U4)
          Formula weight                         403.02 g/mol
          Temperature                            295 K
          Radiation type                         Mo-
          Wavelength                             0.71073 Å 
          Crystal system, space group            orthorhombic, C m c m (I.T.#63) 
          Unit cell dimensions                   a = 4.1000(2) Å
                                                 b = 15.8711(9) Å
                                                 c = 4.0195(2) Å
                                                 α = 90 °
                                                 β = 90 °
                                                 γ = 90 °
          Volume                                 261.55(2) Å3
          Z, Calculated density                  4, 10.235 g.cm-3
          Absorption coefficient                 86.563 mm-1
          Unique reflections                     242
          Refined parameters                     19
          Final R indices [I>2σ)                 R1c = 0.0190, wR2d = 0.0407
          Final R indices [all data]          R1c = 0.0227, wR2d = 0.0418
          Δρmax, Δρmin                            3.308, -1.625 e--3

             aRint = ∑ |Fo2  - < Fo2>| / ∑[Fo2]
bS = {∑ [w(Fo2 - Fc2)2] / (n - p)}1/2
cR1 = ∑ | |Fo| - |Fc| | / ∑ |Fo|
dwR2 = {∑ [w(Fo2 - Fc2)2] / ∑ [w(Fo2)2]}1/2
w = 1 / [σ(Fo2) + aP2 + bP] where P = [2Fc2 + MAX(Fo2, 0)] /3

  Fractional atomic coordinates, site occupancy (%) and equivalent isotropic displacement parameters (Å2).

U(eq) is defined as one third of the trace of the orthogonalized Uij tensor.

Atom x y z occ. U(eq) adp U001 0.0000 0.39618(2) 0.2500 1 0.00790(17) Uani Ge02 0.0000 0.05245(9) 0.2500 1 0.0148(3) Uani Ge03 0.0000 0.74976(9) 0.2500 1 0.0218(3) Uani Ni04 0.0000 0.1900(2) 0.2500 0.337(6) 0.0143(13) Uani

  Anisotropic displacement parameters (Å2)

The anisotropic displacement factor exponent takes the form:  -2π2 [ h2 a*2 U11 + ... + 2 h k a* b* U12 ].

Atom U11 U22 U33 U23 U13 U12 U001 0.0068(2) 0.0104(2) 0.0065(2) 0.000 0.000 0.000 Ge02 0.0070(5) 0.0303(6) 0.0070(5) 0.000 0.000 0.000 Ge03 0.0227(7) 0.0176(7) 0.0249(6) 0.000 0.000 0.000 Ni04 0.017(2) 0.010(2) 0.015(2) 0.000 0.000 0.000

  Bond lengths [Å]

          U001 - Ge02_#1  = 2.9843(4)                                 
          U001 - Ge02_#2  = 2.9843(4)                                 
          U001 - Ge02_#3  = 2.9843(4)                                 
          U001 - Ge02_#4  = 2.9843(4)                                 
          U001 - Ge03_#5  = 3.0667(12)                                
          U001 - Ge03_#6  = 3.0988(10)                                
          U001 - Ge03_#7  = 3.0988(10)                                
          U001 - Ge03_#8  = 3.0667(12)                                
          U001 - Ni04_#1  = 3.1802(17)                                
          U001 - Ni04_#4  = 3.1802(17)                                
          U001 - Ni04_#2  = 3.1802(17)                                
          U001 - Ni04_#3  = 3.1802(17)                                
          Ge02 - U001_#1  = 2.9843(4)                                 
          Ge02 - U001_#7  = 3.2177(11)                                
          Ge02 - U001_#2  = 2.9843(4)                                 
          Ge02 - U001_#3  = 2.9843(4)                                 
          Ge02 - U001_#4  = 2.9843(4)                                 
          Ge02 - U001_#6  = 3.2177(11)                                
          Ge02 - Ge02_#9  = 2.6098(19)                                
          Ge02 - Ge02_#10 = 2.6098(19)                                
          Ge02 - Ni04     = 2.184(4)                                  
          Ge03 - U001_#11 = 3.0988(10)                                
          Ge03 - U001_#12 = 3.0988(10)                                
          Ge03 - U001_#8  = 3.0666(12)                                
          Ge03 - U001_#5  = 3.0666(12)                                
          Ge03 - Ge03_#13 = 2.87083(11)                               
          Ge03 - Ge03_#14 = 2.87083(10)                               
          Ge03 - Ge03_#15 = 2.87083(10)                               
          Ge03 - Ge03_#16 = 2.87083(11)                               
          Ge03 - Ni04_#8  = 2.2254(18)                                
          Ge03 - Ni04_#11 = 2.2586(18)                                
          Ge03 - Ni04_#5  = 2.2254(18)                                
          Ge03 - Ni04_#12 = 2.2586(18)                                
          Ni04 - U001_#2  = 3.1802(17)                                
          Ni04 - U001_#1  = 3.1802(17)                                
          Ni04 - U001_#3  = 3.1802(17)                                
          Ni04 - U001_#4  = 3.1802(17)                                
          Ni04 - Ge03_#5  = 2.2254(18)                                
          Ni04 - Ge03_#8  = 2.2254(18)                                
          Ni04 - Ge03_#6  = 2.2586(18)                                
          Ni04 - Ge03_#7  = 2.2586(18)                                

Symmetry transformations used to generate equivalent atoms:


                #1   -x+1/2, -y+1/2, -z        T = [ 0,  0,  1]
                #2   -x+1/2, -y+1/2, -z        T = [-1,  0,  1]
                #3   -x+1/2, -y+1/2, -z        T = [-1,  0,  0]
                #4   -x+1/2, -y+1/2, -z        T = [ 0,  0,  0]
                #5   -x, -y, -z                T = [ 0,  1,  0]
                #6   x+1/2, y+1/2, z           T = [ 0, -1,  0]
                #7   x+1/2, y+1/2, z           T = [-1, -1,  0]
                #8   -x, -y, -z                T = [ 0,  1,  1]
                #9   -x, -y, -z                T = [ 0,  0,  0]
                #10  -x, -y, -z                T = [ 0,  0,  1]
                #11  x+1/2, y+1/2, z           T = [ 0,  0,  0]
                #12  x+1/2, y+1/2, z           T = [-1,  0,  0]
                #13  -x+1/2, -y+1/2, -z        T = [ 0,  1,  1]
                #14  -x+1/2, -y+1/2, -z        T = [ 0,  1,  0]
                #15  -x+1/2, -y+1/2, -z        T = [-1,  1,  0]
                #16  -x+1/2, -y+1/2, -z        T = [-1,  1,  1]

  Angles [°]

          Ge02_#1  - U001     - Ge02_#2  =  148.29(6)                 
          Ge02_#2  - U001     - Ge02_#3  =   86.774(16)               
          Ge02_#1  - U001     - Ge02_#3  =   84.665(15)               
          Ge02_#1  - U001     - Ge02_#4  =   86.774(16)               
          Ge02_#2  - U001     - Ge02_#4  =   84.665(15)               
          Ge02_#4  - U001     - Ge02_#3  =  148.29(6)                 
          Ge02_#4  - U001     - Ge03_#5  =   76.41(3)                 
          Ge02_#3  - U001     - Ge03_#6  =   75.55(2)                 
          Ge02_#2  - U001     - Ge03_#6  =  131.25(3)                 
          Ge02_#1  - U001     - Ge03_#7  =  131.25(3)                 
          Ge02_#2  - U001     - Ge03_#5  =  130.37(2)                 
          Ge02_#4  - U001     - Ge03_#7  =   75.55(2)                 
          Ge02_#3  - U001     - Ge03_#5  =  130.37(2)                 
          Ge02_#1  - U001     - Ge03_#8  =  130.37(2)                 
          Ge02_#2  - U001     - Ge03_#7  =   75.55(2)                 
          Ge02_#2  - U001     - Ge03_#8  =   76.41(3)                 
          Ge02_#3  - U001     - Ge03_#7  =  131.25(3)                 
          Ge02_#4  - U001     - Ge03_#8  =  130.37(2)                 
          Ge02_#4  - U001     - Ge03_#6  =  131.25(3)                 
          Ge02_#3  - U001     - Ge03_#8  =   76.41(3)                 
          Ge02_#1  - U001     - Ge03_#5  =   76.41(3)                 
          Ge02_#1  - U001     - Ge03_#6  =   75.55(2)                 
          Ge02_#1  - U001     - Ni04_#2  =  170.37(7)                 
          Ge02_#2  - U001     - Ni04_#4  =   95.76(2)                 
          Ge02_#2  - U001     - Ni04_#3  =   97.744(19)               
          Ge02_#4  - U001     - Ni04_#2  =   95.76(2)                 
          Ge02_#3  - U001     - Ni04_#4  =  170.37(7)                 
          Ge02_#3  - U001     - Ni04_#2  =   97.744(19)               
          Ge02_#3  - U001     - Ni04_#3  =   41.34(7)                 
          Ge02_#1  - U001     - Ni04_#1  =   41.34(7)                 
          Ge02_#4  - U001     - Ni04_#4  =   41.34(7)                 
          Ge02_#2  - U001     - Ni04_#1  =  170.37(7)                 
          Ge02_#1  - U001     - Ni04_#3  =   95.76(2)                 
          Ge02_#4  - U001     - Ni04_#1  =   97.744(19)               
          Ge02_#4  - U001     - Ni04_#3  =  170.37(7)                 
          Ge02_#3  - U001     - Ni04_#1  =   95.76(2)                 
          Ge02_#1  - U001     - Ni04_#4  =   97.744(19)               
          Ge02_#2  - U001     - Ni04_#2  =   41.34(7)                 
          Ge03_#8  - U001     - Ge03_#7  =   55.499(6)                
          Ge03_#7  - U001     - Ge03_#6  =   82.84(3)                 
          Ge03_#5  - U001     - Ge03_#6  =   55.499(6)                
          Ge03_#5  - U001     - Ge03_#7  =   55.499(6)                
          Ge03_#8  - U001     - Ge03_#6  =   55.499(6)                
          Ge03_#8  - U001     - Ge03_#5  =   81.89(4)                 
          Ge03_#8  - U001     - Ni04_#1  =   95.12(6)                 
          Ge03_#6  - U001     - Ni04_#2  =   95.96(6)                 
          Ge03_#6  - U001     - Ni04_#4  =   95.96(6)                 
          Ge03_#5  - U001     - Ni04_#1  =   42.34(5)                 
          Ge03_#7  - U001     - Ni04_#4  =   41.49(5)                 
          Ge03_#7  - U001     - Ni04_#1  =   95.96(6)                 
          Ge03_#7  - U001     - Ni04_#2  =   41.49(5)                 
          Ge03_#5  - U001     - Ni04_#3  =   95.12(6)                 
          Ge03_#6  - U001     - Ni04_#3  =   41.49(5)                 
          Ge03_#6  - U001     - Ni04_#1  =   41.49(5)                 
          Ge03_#8  - U001     - Ni04_#3  =   42.34(5)                 
          Ge03_#5  - U001     - Ni04_#2  =   95.12(6)                 
          Ge03_#7  - U001     - Ni04_#3  =   95.96(6)                 
          Ge03_#8  - U001     - Ni04_#4  =   95.12(6)                 
          Ge03_#5  - U001     - Ni04_#4  =   42.34(5)                 
          Ge03_#8  - U001     - Ni04_#2  =   42.34(5)                 
          Ni04_#4  - U001     - Ni04_#3  =  129.03(13)                
          Ni04_#1  - U001     - Ni04_#4  =   80.27(5)                 
          Ni04_#1  - U001     - Ni04_#3  =   78.39(5)                 
          Ni04_#2  - U001     - Ni04_#1  =  129.03(13)                
          Ni04_#2  - U001     - Ni04_#3  =   80.27(5)                 
          Ni04_#2  - U001     - Ni04_#4  =   78.39(5)                 
          U001_#1  - Ge02     - U001_#2  =  148.29(6)                 
          U001_#3  - Ge02     - U001_#7  =  130.41(3)                 
          U001_#3  - Ge02     - U001_#6  =   76.876(16)               
          U001_#1  - Ge02     - U001_#3  =   84.665(15)               
          U001_#1  - Ge02     - U001_#6  =   76.876(16)               
          U001_#2  - Ge02     - U001_#3  =   86.773(16)               
          U001_#2  - Ge02     - U001_#7  =   76.875(16)               
          U001_#1  - Ge02     - U001_#4  =   86.773(16)               
          U001_#4  - Ge02     - U001_#7  =   76.876(16)               
          U001_#7  - Ge02     - U001_#6  =   79.15(3)                 
          U001_#2  - Ge02     - U001_#6  =  130.41(3)                 
          U001_#3  - Ge02     - U001_#4  =  148.29(6)                 
          U001_#4  - Ge02     - U001_#6  =  130.41(3)                 
          U001_#1  - Ge02     - U001_#7  =  130.41(3)                 
          U001_#2  - Ge02     - U001_#4  =   84.665(15)               
          Ge02_#9  - Ge02     - U001_#7  =   60.55(4)                 
          Ge02_#10 - Ge02     - U001_#1  =  133.86(3)                 
          Ge02_#9  - Ge02     - U001_#4  =   69.860(13)               
          Ge02_#9  - Ge02     - U001_#3  =  133.86(3)                 
          Ge02_#10 - Ge02     - U001_#7  =   60.55(4)                 
          Ge02_#9  - Ge02     - U001_#1  =   69.860(13)               
          Ge02_#9  - Ge02     - U001_#2  =  133.86(3)                 
          Ge02_#10 - Ge02     - U001_#2  =   69.860(13)               
          Ge02_#10 - Ge02     - U001_#3  =   69.860(13)               
          Ge02_#10 - Ge02     - U001_#4  =  133.86(3)                 
          Ge02_#10 - Ge02     - U001_#6  =   60.55(4)                 
          Ge02_#9  - Ge02     - U001_#6  =   60.55(4)                 
          Ge02_#10 - Ge02     - Ge02_#9  =  100.72(10)                
          Ni04     - Ge02     - U001_#6  =  140.424(17)               
          Ni04     - Ge02     - U001_#2  =   74.15(3)                 
          Ni04     - Ge02     - U001_#4  =   74.15(3)                 
          Ni04     - Ge02     - U001_#3  =   74.15(3)                 
          Ni04     - Ge02     - U001_#1  =   74.15(3)                 
          Ni04     - Ge02     - U001_#7  =  140.424(17)               
          Ni04     - Ge02     - Ge02_#9  =  129.64(5)                 
          Ni04     - Ge02     - Ge02_#10 =  129.64(5)                 
          U001_#8  - Ge03     - U001_#5  =   81.89(4)                 
          U001_#5  - Ge03     - U001_#11 =  124.501(6)                
          U001_#8  - Ge03     - U001_#11 =  124.501(6)                
          U001_#8  - Ge03     - U001_#12 =  124.501(6)                
          U001_#5  - Ge03     - U001_#12 =  124.501(6)                
          U001_#12 - Ge03     - U001_#11 =   82.83(3)                 
          Ge03_#13 - Ge03     - U001_#5  =   62.82(4)                 
          Ge03_#14 - Ge03     - U001_#11 =  118.06(6)                 
          Ge03_#15 - Ge03     - U001_#5  =  117.44(6)                 
          Ge03_#15 - Ge03     - U001_#8  =   62.82(4)                 
          Ge03_#16 - Ge03     - U001_#11 =  118.06(6)                 
          Ge03_#14 - Ge03     - U001_#12 =   61.68(4)                 
          Ge03_#13 - Ge03     - U001_#8  =  117.44(6)                 
          Ge03_#15 - Ge03     - U001_#12 =  118.06(6)                 
          Ge03_#14 - Ge03     - U001_#5  =   62.82(4)                 
          Ge03_#16 - Ge03     - U001_#12 =   61.68(4)                 
          Ge03_#13 - Ge03     - U001_#11 =   61.68(4)                 
          Ge03_#13 - Ge03     - U001_#12 =  118.06(6)                 
          Ge03_#14 - Ge03     - U001_#8  =  117.44(6)                 
          Ge03_#16 - Ge03     - U001_#8  =   62.82(4)                 
          Ge03_#16 - Ge03     - U001_#5  =  117.44(6)                 
          Ge03_#15 - Ge03     - U001_#11 =   61.68(4)                 
          Ge03_#14 - Ge03     - Ge03_#13 =   91.136(4)                
          Ge03_#15 - Ge03     - Ge03_#16 =   91.136(4)                
          Ge03_#14 - Ge03     - Ge03_#16 =   88.864(4)                
          Ge03_#15 - Ge03     - Ge03_#13 =   88.864(4)                
          Ge03_#16 - Ge03     - Ge03_#13 =  179.70(12)                
          Ge03_#14 - Ge03     - Ge03_#15 =  179.70(12)                
          Ni04_#12 - Ge03     - U001_#8  =   71.52(7)                 
          Ni04_#12 - Ge03     - U001_#12 =   73.40(9)                 
          Ni04_#11 - Ge03     - U001_#8  =   71.52(7)                 
          Ni04_#5  - Ge03     - U001_#5  =   74.48(9)                 
          Ni04_#8  - Ge03     - U001_#11 =   71.22(7)                 
          Ni04_#8  - Ge03     - U001_#5  =  156.38(10)                
          Ni04_#8  - Ge03     - U001_#8  =   74.48(9)                 
          Ni04_#12 - Ge03     - U001_#11 =  156.23(11)                
          Ni04_#5  - Ge03     - U001_#11 =   71.22(7)                 
          Ni04_#5  - Ge03     - U001_#8  =  156.38(10)                
          Ni04_#11 - Ge03     - U001_#11 =   73.40(9)                 
          Ni04_#5  - Ge03     - U001_#12 =   71.22(7)                 
          Ni04_#8  - Ge03     - U001_#12 =   71.22(7)                 
          Ni04_#11 - Ge03     - U001_#5  =   71.52(7)                 
          Ni04_#12 - Ge03     - U001_#5  =   71.52(7)                 
          Ni04_#11 - Ge03     - U001_#12 =  156.23(11)                
          Ni04_#5  - Ge03     - Ge03_#15 =  129.13(6)                 
          Ni04_#5  - Ge03     - Ge03_#14 =   50.70(4)                 
          Ni04_#12 - Ge03     - Ge03_#16 =   49.68(4)                 
          Ni04_#5  - Ge03     - Ge03_#13 =   50.70(4)                 
          Ni04_#8  - Ge03     - Ge03_#16 =   50.70(4)                 
          Ni04_#11 - Ge03     - Ge03_#15 =   49.68(4)                 
          Ni04_#12 - Ge03     - Ge03_#14 =   49.68(4)                 
          Ni04_#12 - Ge03     - Ge03_#15 =  130.48(6)                 
          Ni04_#5  - Ge03     - Ge03_#16 =  129.13(6)                 
          Ni04_#8  - Ge03     - Ge03_#14 =  129.13(6)                 
          Ni04_#11 - Ge03     - Ge03_#16 =  130.48(6)                 
          Ni04_#12 - Ge03     - Ge03_#13 =  130.48(6)                 
          Ni04_#11 - Ge03     - Ge03_#14 =  130.48(6)                 
          Ni04_#8  - Ge03     - Ge03_#13 =  129.13(6)                 
          Ni04_#11 - Ge03     - Ge03_#13 =   49.68(4)                 
          Ni04_#8  - Ge03     - Ge03_#15 =   50.70(4)                 
          Ni04_#8  - Ge03     - Ni04_#11 =  100.38(7)                 
          Ni04_#5  - Ge03     - Ni04_#11 =  100.38(7)                 
          Ni04_#11 - Ge03     - Ni04_#12 =  130.4(2)                  
          Ni04_#5  - Ge03     - Ni04_#12 =  100.38(7)                 
          Ni04_#8  - Ge03     - Ni04_#12 =  100.38(7)                 
          Ni04_#5  - Ge03     - Ni04_#8  =  129.14(19)                
          U001_#2  - Ni04     - U001_#3  =   80.27(5)                 
          U001_#2  - Ni04     - U001_#4  =   78.39(5)                 
          U001_#2  - Ni04     - U001_#1  =  129.03(13)                
          U001_#4  - Ni04     - U001_#3  =  129.03(13)                
          U001_#1  - Ni04     - U001_#4  =   80.27(5)                 
          U001_#1  - Ni04     - U001     =  115.48(6)                 
          U001_#1  - Ni04     - U001_#3  =   78.39(5)                 
          U001_#4  - Ni04     - U001     =  115.48(6)                 
          U001_#3  - Ni04     - U001     =  115.48(6)                 
          U001_#2  - Ni04     - U001     =  115.48(6)                 
          Ge02     - Ni04     - U001_#4  =   64.52(6)                 
          Ge02     - Ni04     - U001     =  180.0                     
          Ge02     - Ni04     - U001_#3  =   64.52(6)                 
          Ge02     - Ni04     - U001_#1  =   64.52(6)                 
          Ge02     - Ni04     - U001_#2  =   64.52(6)                 
          Ge02     - Ni04     - Ge03_#5  =  115.43(10)                
          Ge02     - Ni04     - Ge03_#6  =  114.82(10)                
          Ge02     - Ni04     - Ge03_#8  =  115.43(10)                
          Ge02     - Ni04     - Ge03_#7  =  114.82(10)                
          Ge03_#7  - Ni04     - U001_#1  =  139.967(10)               
          Ge03_#7  - Ni04     - U001     =   65.18(10)                
          Ge03_#7  - Ni04     - U001_#2  =   66.14(3)                 
          Ge03_#5  - Ni04     - U001_#4  =   67.30(3)                 
          Ge03_#8  - Ni04     - U001_#2  =   67.30(3)                 
          Ge03_#8  - Ni04     - U001_#4  =  139.067(8)                
          Ge03_#8  - Ni04     - U001     =   64.57(10)                
          Ge03_#6  - Ni04     - U001_#4  =  139.967(10)               
          Ge03_#8  - Ni04     - U001_#1  =  139.067(8)                
          Ge03_#7  - Ni04     - U001_#4  =   66.14(3)                 
          Ge03_#6  - Ni04     - U001_#2  =  139.967(10)               
          Ge03_#5  - Ni04     - U001_#2  =  139.067(8)                
          Ge03_#5  - Ni04     - U001     =   64.57(10)                
          Ge03_#5  - Ni04     - U001_#3  =  139.067(8)                
          Ge03_#6  - Ni04     - U001     =   65.18(10)                
          Ge03_#8  - Ni04     - U001_#3  =   67.30(3)                 
          Ge03_#5  - Ni04     - U001_#1  =   67.30(3)                 
          Ge03_#6  - Ni04     - U001_#1  =   66.14(3)                 
          Ge03_#7  - Ni04     - U001_#3  =  139.967(10)               
          Ge03_#6  - Ni04     - U001_#3  =   66.14(3)                 
          Ge03_#6  - Ni04     - Ge03_#7  =  130.4(2)                  
          Ge03_#8  - Ni04     - Ge03_#7  =   79.62(7)                 
          Ge03_#5  - Ni04     - Ge03_#6  =   79.62(7)                 
          Ge03_#8  - Ni04     - Ge03_#6  =   79.62(7)                 
          Ge03_#5  - Ni04     - Ge03_#8  =  129.14(19)                
          Ge03_#5  - Ni04     - Ge03_#7  =   79.62(7)                 

Symmetry transformations used to generate equivalent atoms:


                #1   -x+1/2, -y+1/2, -z        T = [ 0,  0,  1]
                #2   -x+1/2, -y+1/2, -z        T = [-1,  0,  0]
                #3   -x+1/2, -y+1/2, -z        T = [ 0,  0,  0]
                #4   -x+1/2, -y+1/2, -z        T = [-1,  0,  1]
                #5   -x, -y, -z                T = [ 0,  1,  1]
                #6   x+1/2, y+1/2, z           T = [ 0, -1,  0]
                #7   x+1/2, y+1/2, z           T = [-1, -1,  0]
                #8   -x, -y, -z                T = [ 0,  1,  0]
                #9   -x, -y, -z                T = [ 0,  0,  1]
                #10  -x, -y, -z                T = [ 0,  0,  0]
                #11  x+1/2, y+1/2, z           T = [-1,  0,  0]
                #12  x+1/2, y+1/2, z           T = [ 0,  0,  0]
                #13  -x+1/2, -y+1/2, -z        T = [-1,  1,  1]
                #14  -x+1/2, -y+1/2, -z        T = [ 0,  1,  1]
                #15  -x+1/2, -y+1/2, -z        T = [-1,  1,  0]
                #16  -x+1/2, -y+1/2, -z        T = [ 0,  1,  0]

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