The material described by NaP is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to two equivalent P(2) and three equivalent P(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent P(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent P(2) atoms. In the second P site, P(2) is bonded in a 7-coordinate geometry to two equivalent Na(1), three equivalent Na(2), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_NaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.582
_cell_length_b   6.001
_cell_length_c   10.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.789
_cell_formula_units_Z   8
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  0.096  0.586  0.966  1.0
  Na  Na1  1  0.596  0.414  0.534  1.0
  Na  Na2  1  0.404  0.086  0.034  1.0
  Na  Na3  1  0.904  0.914  0.466  1.0
  Na  Na4  1  0.367  0.863  0.668  1.0
  Na  Na5  1  0.867  0.137  0.832  1.0
  Na  Na6  1  0.133  0.363  0.332  1.0
  Na  Na7  1  0.633  0.637  0.168  1.0
  P  P8  1  0.863  0.693  0.716  1.0
  P  P9  1  0.363  0.307  0.784  1.0
  P  P10  1  0.637  0.193  0.284  1.0
  P  P11  1  0.137  0.807  0.216  1.0
  P  P12  1  0.597  0.571  0.867  1.0
  P  P13  1  0.097  0.429  0.633  1.0
  P  P14  1  0.903  0.071  0.133  1.0
  P  P15  1  0.403  0.929  0.367  1.0
[/CIF]
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The material described by NaP is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to two equivalent P(2) and three equivalent P(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent P(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and two equivalent P(2) atoms. In the second P site, P(2) is bonded in a 7-coordinate geometry to two equivalent Na(1), three equivalent Na(2), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_NaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.582
_cell_length_b   6.001
_cell_length_c   10.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.789
_cell_formula_units_Z   8
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  0.096  0.586  0.966  1.0
  Na  Na1  1  0.596  0.414  0.534  1.0
  Na  Na2  1  0.404  0.086  0.034  1.0
  Na  Na3  1  0.904  0.914  0.466  1.0
  Na  Na4  1  0.367  0.863  0.668  1.0
  Na  Na5  1  0.867  0.137  0.832  1.0
  Na  Na6  1  0.133  0.363  0.332  1.0
  Na  Na7  1  0.633  0.637  0.168  1.0
  P  P8  1  0.863  0.693  0.716  1.0
  P  P9  1  0.363  0.307  0.784  1.0
  P  P10  1  0.637  0.193  0.284  1.0
  P  P11  1  0.137  0.807  0.216  1.0
  P  P12  1  0.597  0.571  0.867  1.0
  P  P13  1  0.097  0.429  0.633  1.0
  P  P14  1  0.903  0.071  0.133  1.0
  P  P15  1  0.403  0.929  0.367  1.0
[/CIF]
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