The crystal structure described by SrZr2Nb crystallizes in the cubic F-43m space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Zr(1), six equivalent Zr(2), and four equivalent Nb(1) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1) and four equivalent Zr(2) atoms. In the second Zr site, Zr(2) is bonded in a 14-coordinate geometry to six equivalent Sr(1), four equivalent Zr(1), and four equivalent Nb(1) atoms. Nb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_SrZr2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.192
_cell_length_b   5.192
_cell_length_c   5.192
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   98.960
_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
  Sr  Sr0  1  0.250  0.250  0.250  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Zr  Zr2  1  0.750  0.750  0.750  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by SrZr2Nb crystallizes in the cubic F-43m space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Zr(1), six equivalent Zr(2), and four equivalent Nb(1) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1) and four equivalent Zr(2) atoms. In the second Zr site, Zr(2) is bonded in a 14-coordinate geometry to six equivalent Sr(1), four equivalent Zr(1), and four equivalent Nb(1) atoms. Nb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_SrZr2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.192
_cell_length_b   5.192
_cell_length_c   5.192
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   98.960
_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
  Sr  Sr0  1  0.250  0.250  0.250  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Zr  Zr2  1  0.750  0.750  0.750  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
[/CIF]
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