The crystal structure described by Zr(V3Ge2)3 crystallizes in the tetragonal I-42m space group. Zr(1) is bonded in a 6-coordinate geometry to two equivalent V(2) and four equivalent Ge(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1) and four equivalent Ge(2) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1) and four equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to eight equivalent V(1) and two equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Zr(1), one V(2), and eight equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Zr(V3Ge2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   7.300
_cell_length_c   7.300
_cell_angle_alpha   96.460
_cell_angle_beta   109.598
_cell_angle_gamma   70.402
_symmetry_Int_Tables_number   1
_cell_volume   231.577
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr0  1  0.750  0.500  0.500  1.0
  V  V1  1  0.431  0.847  0.706  1.0
  V  V2  1  0.572  0.153  0.294  1.0
  V  V3  1  0.928  0.294  0.153  1.0
  V  V4  1  0.069  0.706  0.847  1.0
  V  V5  1  0.722  0.706  0.153  1.0
  V  V6  1  0.275  0.294  0.847  1.0
  V  V7  1  0.778  0.153  0.706  1.0
  V  V8  1  0.225  0.847  0.294  1.0
  V  V9  1  0.250  0.500  0.500  1.0
  Ge  Ge10  1  0.250  0.000  0.000  1.0
  Ge  Ge11  1  0.750  0.000  0.000  1.0
  Ge  Ge12  1  0.313  0.500  0.155  1.0
  Ge  Ge13  1  0.658  0.500  0.845  1.0
  Ge  Ge14  1  0.842  0.845  0.500  1.0
  Ge  Ge15  1  0.187  0.155  0.500  1.0
[/CIF]
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The crystal structure described by Zr(V3Ge2)3 crystallizes in the tetragonal I-42m space group. Zr(1) is bonded in a 6-coordinate geometry to two equivalent V(2) and four equivalent Ge(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1) and four equivalent Ge(2) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1) and four equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to eight equivalent V(1) and two equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Zr(1), one V(2), and eight equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Zr(V3Ge2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   7.300
_cell_length_c   7.300
_cell_angle_alpha   96.460
_cell_angle_beta   109.598
_cell_angle_gamma   70.402
_symmetry_Int_Tables_number   1
_cell_volume   231.577
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr0  1  0.750  0.500  0.500  1.0
  V  V1  1  0.431  0.847  0.706  1.0
  V  V2  1  0.572  0.153  0.294  1.0
  V  V3  1  0.928  0.294  0.153  1.0
  V  V4  1  0.069  0.706  0.847  1.0
  V  V5  1  0.722  0.706  0.153  1.0
  V  V6  1  0.275  0.294  0.847  1.0
  V  V7  1  0.778  0.153  0.706  1.0
  V  V8  1  0.225  0.847  0.294  1.0
  V  V9  1  0.250  0.500  0.500  1.0
  Ge  Ge10  1  0.250  0.000  0.000  1.0
  Ge  Ge11  1  0.750  0.000  0.000  1.0
  Ge  Ge12  1  0.313  0.500  0.155  1.0
  Ge  Ge13  1  0.658  0.500  0.845  1.0
  Ge  Ge14  1  0.842  0.845  0.500  1.0
  Ge  Ge15  1  0.187  0.155  0.500  1.0
[/CIF]
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