The material structure described by NaP5 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one P(3), one P(4), two equivalent P(1), and three equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Na(1), one P(1), one P(3), and one P(4) atom to form a mixture of edge and corner-sharing PNaP3 trigonal pyramids. In the second P site, P(2) is bonded in a 5-coordinate geometry to three equivalent Na(1), one P(3), and one P(4) atom. In the third P site, P(3) is bonded to one Na(1), one P(2), and two equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing PNaP3 tetrahedra. In the fourth P site, P(4) is bonded to one Na(1), one P(2), and two equivalent P(1) atoms to form distorted corner-sharing PNaP3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   7.007
_cell_length_c   10.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.917
_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
  Na  Na0  1  0.250  0.093  0.426  1.0
  Na  Na1  1  0.750  0.907  0.574  1.0
  Na  Na2  1  0.750  0.593  0.074  1.0
  Na  Na3  1  0.250  0.407  0.926  1.0
  P  P4  1  0.013  0.092  0.082  1.0
  P  P5  1  0.513  0.908  0.918  1.0
  P  P6  1  0.987  0.592  0.418  1.0
  P  P7  1  0.487  0.408  0.582  1.0
  P  P8  1  0.987  0.908  0.918  1.0
  P  P9  1  0.487  0.092  0.082  1.0
  P  P10  1  0.013  0.408  0.582  1.0
  P  P11  1  0.513  0.592  0.418  1.0
  P  P12  1  0.250  0.633  0.141  1.0
  P  P13  1  0.750  0.367  0.859  1.0
  P  P14  1  0.750  0.133  0.359  1.0
  P  P15  1  0.250  0.867  0.641  1.0
  P  P16  1  0.250  0.480  0.311  1.0
  P  P17  1  0.750  0.520  0.689  1.0
  P  P18  1  0.750  0.980  0.189  1.0
  P  P19  1  0.250  0.020  0.811  1.0
  P  P20  1  0.250  0.565  0.686  1.0
  P  P21  1  0.750  0.435  0.314  1.0
  P  P22  1  0.750  0.065  0.814  1.0
  P  P23  1  0.250  0.935  0.186  1.0
[/CIF]
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The material structure described by NaP5 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one P(3), one P(4), two equivalent P(1), and three equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Na(1), one P(1), one P(3), and one P(4) atom to form a mixture of edge and corner-sharing PNaP3 trigonal pyramids. In the second P site, P(2) is bonded in a 5-coordinate geometry to three equivalent Na(1), one P(3), and one P(4) atom. In the third P site, P(3) is bonded to one Na(1), one P(2), and two equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing PNaP3 tetrahedra. In the fourth P site, P(4) is bonded to one Na(1), one P(2), and two equivalent P(1) atoms to form distorted corner-sharing PNaP3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   7.007
_cell_length_c   10.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.917
_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
  Na  Na0  1  0.250  0.093  0.426  1.0
  Na  Na1  1  0.750  0.907  0.574  1.0
  Na  Na2  1  0.750  0.593  0.074  1.0
  Na  Na3  1  0.250  0.407  0.926  1.0
  P  P4  1  0.013  0.092  0.082  1.0
  P  P5  1  0.513  0.908  0.918  1.0
  P  P6  1  0.987  0.592  0.418  1.0
  P  P7  1  0.487  0.408  0.582  1.0
  P  P8  1  0.987  0.908  0.918  1.0
  P  P9  1  0.487  0.092  0.082  1.0
  P  P10  1  0.013  0.408  0.582  1.0
  P  P11  1  0.513  0.592  0.418  1.0
  P  P12  1  0.250  0.633  0.141  1.0
  P  P13  1  0.750  0.367  0.859  1.0
  P  P14  1  0.750  0.133  0.359  1.0
  P  P15  1  0.250  0.867  0.641  1.0
  P  P16  1  0.250  0.480  0.311  1.0
  P  P17  1  0.750  0.520  0.689  1.0
  P  P18  1  0.750  0.980  0.189  1.0
  P  P19  1  0.250  0.020  0.811  1.0
  P  P20  1  0.250  0.565  0.686  1.0
  P  P21  1  0.750  0.435  0.314  1.0
  P  P22  1  0.750  0.065  0.814  1.0
  P  P23  1  0.250  0.935  0.186  1.0
[/CIF]
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