The crystal structure described by Zr2V3Ge4 crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 7-coordinate geometry to one Ge(3), two equivalent Ge(1), and four equivalent Ge(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted corner-sharing VGe6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one Ge(1), two equivalent Ge(3), and three equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent V(1), four equivalent V(2), and one Ge(1) atom. In the second Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1), two equivalent V(1), two equivalent V(2), and one Ge(3) atom. In the third Ge site, Ge(2) is bonded in a 8-coordinate geometry to four equivalent Zr(1), one V(1), and three equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2V3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.648
_cell_length_b   6.764
_cell_length_c   12.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.657
_cell_formula_units_Z   4
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  0.490  0.673  0.094  1.0
  Zr  Zr1  1  0.990  0.827  0.406  1.0
  Zr  Zr2  1  0.510  0.327  0.594  1.0
  Zr  Zr3  1  0.010  0.173  0.906  1.0
  Zr  Zr4  1  0.510  0.327  0.906  1.0
  Zr  Zr5  1  0.010  0.173  0.594  1.0
  Zr  Zr6  1  0.490  0.673  0.406  1.0
  Zr  Zr7  1  0.990  0.827  0.094  1.0
  V  V8  1  0.336  0.010  0.250  1.0
  V  V9  1  0.836  0.490  0.250  1.0
  V  V10  1  0.664  0.990  0.750  1.0
  V  V11  1  0.164  0.510  0.750  1.0
  V  V12  1  0.660  0.164  0.125  1.0
  V  V13  1  0.160  0.336  0.375  1.0
  V  V14  1  0.340  0.836  0.625  1.0
  V  V15  1  0.840  0.664  0.875  1.0
  V  V16  1  0.340  0.836  0.875  1.0
  V  V17  1  0.840  0.664  0.625  1.0
  V  V18  1  0.660  0.164  0.375  1.0
  V  V19  1  0.160  0.336  0.125  1.0
  Ge  Ge20  1  0.692  0.859  0.250  1.0
  Ge  Ge21  1  0.192  0.641  0.250  1.0
  Ge  Ge22  1  0.308  0.141  0.750  1.0
  Ge  Ge23  1  0.808  0.359  0.750  1.0
  Ge  Ge24  1  0.678  0.955  0.958  1.0
  Ge  Ge25  1  0.178  0.545  0.542  1.0
  Ge  Ge26  1  0.322  0.045  0.458  1.0
  Ge  Ge27  1  0.822  0.455  0.042  1.0
  Ge  Ge28  1  0.322  0.045  0.042  1.0
  Ge  Ge29  1  0.822  0.455  0.458  1.0
  Ge  Ge30  1  0.678  0.955  0.542  1.0
  Ge  Ge31  1  0.178  0.545  0.958  1.0
  Ge  Ge32  1  0.465  0.374  0.250  1.0
  Ge  Ge33  1  0.965  0.126  0.250  1.0
  Ge  Ge34  1  0.535  0.626  0.750  1.0
  Ge  Ge35  1  0.035  0.874  0.750  1.0
[/CIF]
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The crystal structure described by Zr2V3Ge4 crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 7-coordinate geometry to one Ge(3), two equivalent Ge(1), and four equivalent Ge(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted corner-sharing VGe6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one Ge(1), two equivalent Ge(3), and three equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent V(1), four equivalent V(2), and one Ge(1) atom. In the second Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1), two equivalent V(1), two equivalent V(2), and one Ge(3) atom. In the third Ge site, Ge(2) is bonded in a 8-coordinate geometry to four equivalent Zr(1), one V(1), and three equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2V3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.648
_cell_length_b   6.764
_cell_length_c   12.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.657
_cell_formula_units_Z   4
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  0.490  0.673  0.094  1.0
  Zr  Zr1  1  0.990  0.827  0.406  1.0
  Zr  Zr2  1  0.510  0.327  0.594  1.0
  Zr  Zr3  1  0.010  0.173  0.906  1.0
  Zr  Zr4  1  0.510  0.327  0.906  1.0
  Zr  Zr5  1  0.010  0.173  0.594  1.0
  Zr  Zr6  1  0.490  0.673  0.406  1.0
  Zr  Zr7  1  0.990  0.827  0.094  1.0
  V  V8  1  0.336  0.010  0.250  1.0
  V  V9  1  0.836  0.490  0.250  1.0
  V  V10  1  0.664  0.990  0.750  1.0
  V  V11  1  0.164  0.510  0.750  1.0
  V  V12  1  0.660  0.164  0.125  1.0
  V  V13  1  0.160  0.336  0.375  1.0
  V  V14  1  0.340  0.836  0.625  1.0
  V  V15  1  0.840  0.664  0.875  1.0
  V  V16  1  0.340  0.836  0.875  1.0
  V  V17  1  0.840  0.664  0.625  1.0
  V  V18  1  0.660  0.164  0.375  1.0
  V  V19  1  0.160  0.336  0.125  1.0
  Ge  Ge20  1  0.692  0.859  0.250  1.0
  Ge  Ge21  1  0.192  0.641  0.250  1.0
  Ge  Ge22  1  0.308  0.141  0.750  1.0
  Ge  Ge23  1  0.808  0.359  0.750  1.0
  Ge  Ge24  1  0.678  0.955  0.958  1.0
  Ge  Ge25  1  0.178  0.545  0.542  1.0
  Ge  Ge26  1  0.322  0.045  0.458  1.0
  Ge  Ge27  1  0.822  0.455  0.042  1.0
  Ge  Ge28  1  0.322  0.045  0.042  1.0
  Ge  Ge29  1  0.822  0.455  0.458  1.0
  Ge  Ge30  1  0.678  0.955  0.542  1.0
  Ge  Ge31  1  0.178  0.545  0.958  1.0
  Ge  Ge32  1  0.465  0.374  0.250  1.0
  Ge  Ge33  1  0.965  0.126  0.250  1.0
  Ge  Ge34  1  0.535  0.626  0.750  1.0
  Ge  Ge35  1  0.035  0.874  0.750  1.0
[/CIF]
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