The material structure described by Cs3NpO2Cl4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent Cl(1), and four equivalent Cl(2) atoms. Np(1) is bonded in a distorted linear geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. O(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Np(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Cs(2), three equivalent Cs(1), and one Np(1) atom to form a mixture of distorted edge and corner-sharing ClCs4Np square pyramids. In the second Cl site, Cl(2) is bonded in a 6-coordinate geometry to two equivalent Cs(2), three equivalent Cs(1), and one Np(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Np(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.675
_cell_length_b   8.675
_cell_length_c   13.032
_cell_angle_alpha   65.689
_cell_angle_beta   65.689
_cell_angle_gamma   50.828
_symmetry_Int_Tables_number   1
_cell_volume   676.790
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.161  0.534  0.131  1.0
  Cs  Cs1  1  0.466  0.839  0.369  1.0
  Cs  Cs2  1  0.839  0.466  0.869  1.0
  Cs  Cs3  1  0.534  0.161  0.631  1.0
  Cs  Cs4  1  0.913  0.087  0.250  1.0
  Cs  Cs5  1  0.087  0.913  0.750  1.0
  Np  Np6  1  0.000  0.500  0.500  1.0
  Np  Np7  1  0.500  0.000  0.000  1.0
  Cl  Cl8  1  0.705  0.606  0.129  1.0
  Cl  Cl9  1  0.394  0.295  0.371  1.0
  Cl  Cl10  1  0.295  0.394  0.871  1.0
  Cl  Cl11  1  0.606  0.705  0.629  1.0
  Cl  Cl12  1  0.278  0.916  0.953  1.0
  Cl  Cl13  1  0.084  0.722  0.547  1.0
  Cl  Cl14  1  0.722  0.084  0.047  1.0
  Cl  Cl15  1  0.916  0.278  0.453  1.0
  O  O16  1  0.914  0.692  0.368  1.0
  O  O17  1  0.308  0.086  0.132  1.0
  O  O18  1  0.086  0.308  0.632  1.0
  O  O19  1  0.692  0.914  0.868  1.0
[/CIF]
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The material structure described by Cs3NpO2Cl4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent Cl(1), and four equivalent Cl(2) atoms. Np(1) is bonded in a distorted linear geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. O(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Np(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Cs(2), three equivalent Cs(1), and one Np(1) atom to form a mixture of distorted edge and corner-sharing ClCs4Np square pyramids. In the second Cl site, Cl(2) is bonded in a 6-coordinate geometry to two equivalent Cs(2), three equivalent Cs(1), and one Np(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Np(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.675
_cell_length_b   8.675
_cell_length_c   13.032
_cell_angle_alpha   65.689
_cell_angle_beta   65.689
_cell_angle_gamma   50.828
_symmetry_Int_Tables_number   1
_cell_volume   676.790
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.161  0.534  0.131  1.0
  Cs  Cs1  1  0.466  0.839  0.369  1.0
  Cs  Cs2  1  0.839  0.466  0.869  1.0
  Cs  Cs3  1  0.534  0.161  0.631  1.0
  Cs  Cs4  1  0.913  0.087  0.250  1.0
  Cs  Cs5  1  0.087  0.913  0.750  1.0
  Np  Np6  1  0.000  0.500  0.500  1.0
  Np  Np7  1  0.500  0.000  0.000  1.0
  Cl  Cl8  1  0.705  0.606  0.129  1.0
  Cl  Cl9  1  0.394  0.295  0.371  1.0
  Cl  Cl10  1  0.295  0.394  0.871  1.0
  Cl  Cl11  1  0.606  0.705  0.629  1.0
  Cl  Cl12  1  0.278  0.916  0.953  1.0
  Cl  Cl13  1  0.084  0.722  0.547  1.0
  Cl  Cl14  1  0.722  0.084  0.047  1.0
  Cl  Cl15  1  0.916  0.278  0.453  1.0
  O  O16  1  0.914  0.692  0.368  1.0
  O  O17  1  0.308  0.086  0.132  1.0
  O  O18  1  0.086  0.308  0.632  1.0
  O  O19  1  0.692  0.914  0.868  1.0
[/CIF]
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