The compound described by Ba3Sr3Np2 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Np(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Np(1) atoms. In the third Ba site, Ba(3) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Np(1) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and two equivalent Sr(2) atoms. In the second Sr site, Sr(2) is bonded to four equivalent Sr(1) and four equivalent Np(1) atoms to form distorted edge-sharing SrSr4Np4 tetrahedra. Np(1) is bonded in a body-centered cubic geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and two equivalent Sr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Sr3Np2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   9.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.038
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.000  0.251  1.0
  Sr  Sr4  1  0.000  0.500  0.749  1.0
  Sr  Sr5  1  0.500  0.500  0.500  1.0
  Np  Np6  1  0.500  0.000  0.749  1.0
  Np  Np7  1  0.000  0.500  0.251  1.0
[/CIF]
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The compound described by Ba3Sr3Np2 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Np(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Np(1) atoms. In the third Ba site, Ba(3) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Np(1) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and two equivalent Sr(2) atoms. In the second Sr site, Sr(2) is bonded to four equivalent Sr(1) and four equivalent Np(1) atoms to form distorted edge-sharing SrSr4Np4 tetrahedra. Np(1) is bonded in a body-centered cubic geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and two equivalent Sr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Sr3Np2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   9.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.038
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.500  0.000  0.251  1.0
  Sr  Sr4  1  0.000  0.500  0.749  1.0
  Sr  Sr5  1  0.500  0.500  0.500  1.0
  Np  Np6  1  0.500  0.000  0.749  1.0
  Np  Np7  1  0.000  0.500  0.251  1.0
[/CIF]
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