The material described by Zr2Nb3Ge4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 6-coordinate geometry to two equivalent Nb(2), one Ge(1), two equivalent Ge(2), and three equivalent Ge(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one Ge(2), two equivalent Ge(1), and four equivalent Ge(3) atoms. In the second Nb site, Nb(2) is bonded in a 10-coordinate geometry to four equivalent Zr(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Nb(2), four equivalent Nb(1), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), two equivalent Nb(1), two equivalent Nb(2), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to three equivalent Zr(1), one Nb(2), and four equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Zr2Nb3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.875
_cell_length_b   6.985
_cell_length_c   13.535
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   649.952
_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  0.848  0.666  0.124  1.0
  Zr  Zr1  1  0.348  0.834  0.376  1.0
  Zr  Zr2  1  0.652  0.166  0.876  1.0
  Zr  Zr3  1  0.152  0.334  0.624  1.0
  Zr  Zr4  1  0.152  0.334  0.876  1.0
  Zr  Zr5  1  0.652  0.166  0.624  1.0
  Zr  Zr6  1  0.348  0.834  0.124  1.0
  Zr  Zr7  1  0.848  0.666  0.376  1.0
  Nb  Nb8  1  0.020  0.178  0.091  1.0
  Nb  Nb9  1  0.520  0.322  0.409  1.0
  Nb  Nb10  1  0.480  0.678  0.909  1.0
  Nb  Nb11  1  0.980  0.822  0.591  1.0
  Nb  Nb12  1  0.980  0.822  0.909  1.0
  Nb  Nb13  1  0.480  0.678  0.591  1.0
  Nb  Nb14  1  0.520  0.322  0.091  1.0
  Nb  Nb15  1  0.020  0.178  0.409  1.0
  Nb  Nb16  1  0.674  0.996  0.250  1.0
  Nb  Nb17  1  0.174  0.504  0.250  1.0
  Nb  Nb18  1  0.826  0.496  0.750  1.0
  Nb  Nb19  1  0.326  0.004  0.750  1.0
  Ge  Ge20  1  0.819  0.341  0.250  1.0
  Ge  Ge21  1  0.319  0.159  0.250  1.0
  Ge  Ge22  1  0.681  0.841  0.750  1.0
  Ge  Ge23  1  0.181  0.659  0.750  1.0
  Ge  Ge24  1  0.044  0.903  0.250  1.0
  Ge  Ge25  1  0.544  0.597  0.250  1.0
  Ge  Ge26  1  0.456  0.403  0.750  1.0
  Ge  Ge27  1  0.956  0.097  0.750  1.0
  Ge  Ge28  1  0.804  0.474  0.958  1.0
  Ge  Ge29  1  0.304  0.026  0.542  1.0
  Ge  Ge30  1  0.696  0.974  0.042  1.0
  Ge  Ge31  1  0.196  0.526  0.458  1.0
  Ge  Ge32  1  0.196  0.526  0.042  1.0
  Ge  Ge33  1  0.696  0.974  0.458  1.0
  Ge  Ge34  1  0.304  0.026  0.958  1.0
  Ge  Ge35  1  0.804  0.474  0.542  1.0
[/CIF]
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The material described by Zr2Nb3Ge4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 6-coordinate geometry to two equivalent Nb(2), one Ge(1), two equivalent Ge(2), and three equivalent Ge(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one Ge(2), two equivalent Ge(1), and four equivalent Ge(3) atoms. In the second Nb site, Nb(2) is bonded in a 10-coordinate geometry to four equivalent Zr(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Nb(2), four equivalent Nb(1), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), two equivalent Nb(1), two equivalent Nb(2), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to three equivalent Zr(1), one Nb(2), and four equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Zr2Nb3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.875
_cell_length_b   6.985
_cell_length_c   13.535
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   649.952
_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  0.848  0.666  0.124  1.0
  Zr  Zr1  1  0.348  0.834  0.376  1.0
  Zr  Zr2  1  0.652  0.166  0.876  1.0
  Zr  Zr3  1  0.152  0.334  0.624  1.0
  Zr  Zr4  1  0.152  0.334  0.876  1.0
  Zr  Zr5  1  0.652  0.166  0.624  1.0
  Zr  Zr6  1  0.348  0.834  0.124  1.0
  Zr  Zr7  1  0.848  0.666  0.376  1.0
  Nb  Nb8  1  0.020  0.178  0.091  1.0
  Nb  Nb9  1  0.520  0.322  0.409  1.0
  Nb  Nb10  1  0.480  0.678  0.909  1.0
  Nb  Nb11  1  0.980  0.822  0.591  1.0
  Nb  Nb12  1  0.980  0.822  0.909  1.0
  Nb  Nb13  1  0.480  0.678  0.591  1.0
  Nb  Nb14  1  0.520  0.322  0.091  1.0
  Nb  Nb15  1  0.020  0.178  0.409  1.0
  Nb  Nb16  1  0.674  0.996  0.250  1.0
  Nb  Nb17  1  0.174  0.504  0.250  1.0
  Nb  Nb18  1  0.826  0.496  0.750  1.0
  Nb  Nb19  1  0.326  0.004  0.750  1.0
  Ge  Ge20  1  0.819  0.341  0.250  1.0
  Ge  Ge21  1  0.319  0.159  0.250  1.0
  Ge  Ge22  1  0.681  0.841  0.750  1.0
  Ge  Ge23  1  0.181  0.659  0.750  1.0
  Ge  Ge24  1  0.044  0.903  0.250  1.0
  Ge  Ge25  1  0.544  0.597  0.250  1.0
  Ge  Ge26  1  0.456  0.403  0.750  1.0
  Ge  Ge27  1  0.956  0.097  0.750  1.0
  Ge  Ge28  1  0.804  0.474  0.958  1.0
  Ge  Ge29  1  0.304  0.026  0.542  1.0
  Ge  Ge30  1  0.696  0.974  0.042  1.0
  Ge  Ge31  1  0.196  0.526  0.458  1.0
  Ge  Ge32  1  0.196  0.526  0.042  1.0
  Ge  Ge33  1  0.696  0.974  0.458  1.0
  Ge  Ge34  1  0.304  0.026  0.958  1.0
  Ge  Ge35  1  0.804  0.474  0.542  1.0
[/CIF]
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