The material structure described by NaSr2AlP3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to two equivalent P(1), two equivalent P(2), and two equivalent P(5) atoms. In the second Na site, Na(2) is bonded in a distorted T-shaped geometry to one P(2) and two equivalent P(1) atoms. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Al(1), one P(1), one P(2), one P(5), two equivalent P(3), and two equivalent P(4) atoms. In the second Sr site, Sr(2) is bonded to two equivalent P(1), two equivalent P(3), and two equivalent P(4) atoms to form SrP6 octahedra that share corners with two equivalent Sr(3)P6 octahedra, corners with two equivalent Al(2)P4 tetrahedra, edges with two equivalent Sr(2)P6 octahedra, and edges with two equivalent Al(1)Sr2P4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. In the third Sr site, Sr(3) is bonded to two equivalent P(1), two equivalent P(2), and two equivalent P(5) atoms to form distorted SrP6 octahedra that share corners with two equivalent Sr(2)P6 octahedra, corners with two equivalent Al(2)P4 tetrahedra, edges with two equivalent Sr(3)P6 octahedra, edges with two equivalent Al(2)P4 tetrahedra, and edges with two equivalent Al(1)Sr2P4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Sr(1), one P(2), one P(4), and two equivalent P(1) atoms to form distorted AlSr2P4 tetrahedra that share edges with two equivalent Sr(2)P6 octahedra, edges with two equivalent Sr(3)P6 octahedra, and  an edgeedge with one Al(2)P4 tetrahedra. In the second Al site, Al(2) is bonded to two equivalent P(1) and two equivalent P(5) atoms to form distorted AlP4 tetrahedra that share corners with two equivalent Sr(2)P6 octahedra, corners with two equivalent Sr(3)P6 octahedra, edges with two equivalent Sr(3)P6 octahedra,  an edgeedge with one Al(2)P4 tetrahedra, and  an edgeedge with one Al(1)Sr2P4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Sr(1), one Sr(2), one Sr(3), one Al(1), and one Al(2) atom. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Na(2), two equivalent Na(1), two equivalent Sr(1), two equivalent Sr(3), and one Al(1) atom. In the third P site, P(3) is bonded in a 7-coordinate geometry to two equivalent Sr(2), four equivalent Sr(1), and one P(3) atom. In the fourth P site, P(4) is bonded in a 8-coordinate geometry to two equivalent Sr(2), four equivalent Sr(1), one Al(1), and one P(4) atom. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Sr(1), two equivalent Sr(3), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSr2AlP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.139
_cell_length_c   11.572
_cell_angle_alpha   76.122
_cell_angle_beta   76.122
_cell_angle_gamma   67.919
_symmetry_Int_Tables_number   1
_cell_volume   679.923
_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  0.301  0.699  0.000  1.0
  Na  Na1  1  0.357  0.357  0.231  1.0
  Na  Na2  1  0.643  0.643  0.769  1.0
  Na  Na3  1  0.699  0.301  0.000  1.0
  Sr  Sr4  1  0.749  0.192  0.686  1.0
  Sr  Sr5  1  0.251  0.808  0.314  1.0
  Sr  Sr6  1  0.192  0.749  0.686  1.0
  Sr  Sr7  1  0.500  0.000  0.500  1.0
  Sr  Sr8  1  0.808  0.251  0.314  1.0
  Sr  Sr9  1  0.000  0.500  0.000  1.0
  Sr  Sr10  1  0.500  0.000  0.000  1.0
  Sr  Sr11  1  0.000  0.500  0.500  1.0
  Al  Al12  1  0.698  0.698  0.267  1.0
  Al  Al13  1  0.090  0.090  0.882  1.0
  Al  Al14  1  0.910  0.910  0.118  1.0
  Al  Al15  1  0.302  0.302  0.733  1.0
  P  P16  1  0.021  0.613  0.229  1.0
  P  P17  1  0.591  0.591  0.137  1.0
  P  P18  1  0.979  0.387  0.771  1.0
  P  P19  1  0.087  0.087  0.486  1.0
  P  P20  1  0.586  0.586  0.488  1.0
  P  P21  1  0.910  0.910  0.906  1.0
  P  P22  1  0.090  0.090  0.094  1.0
  P  P23  1  0.409  0.409  0.863  1.0
  P  P24  1  0.613  0.021  0.229  1.0
  P  P25  1  0.913  0.913  0.514  1.0
  P  P26  1  0.387  0.979  0.771  1.0
  P  P27  1  0.414  0.414  0.512  1.0
[/CIF]
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The material structure described by NaSr2AlP3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to two equivalent P(1), two equivalent P(2), and two equivalent P(5) atoms. In the second Na site, Na(2) is bonded in a distorted T-shaped geometry to one P(2) and two equivalent P(1) atoms. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Al(1), one P(1), one P(2), one P(5), two equivalent P(3), and two equivalent P(4) atoms. In the second Sr site, Sr(2) is bonded to two equivalent P(1), two equivalent P(3), and two equivalent P(4) atoms to form SrP6 octahedra that share corners with two equivalent Sr(3)P6 octahedra, corners with two equivalent Al(2)P4 tetrahedra, edges with two equivalent Sr(2)P6 octahedra, and edges with two equivalent Al(1)Sr2P4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. In the third Sr site, Sr(3) is bonded to two equivalent P(1), two equivalent P(2), and two equivalent P(5) atoms to form distorted SrP6 octahedra that share corners with two equivalent Sr(2)P6 octahedra, corners with two equivalent Al(2)P4 tetrahedra, edges with two equivalent Sr(3)P6 octahedra, edges with two equivalent Al(2)P4 tetrahedra, and edges with two equivalent Al(1)Sr2P4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Sr(1), one P(2), one P(4), and two equivalent P(1) atoms to form distorted AlSr2P4 tetrahedra that share edges with two equivalent Sr(2)P6 octahedra, edges with two equivalent Sr(3)P6 octahedra, and  an edgeedge with one Al(2)P4 tetrahedra. In the second Al site, Al(2) is bonded to two equivalent P(1) and two equivalent P(5) atoms to form distorted AlP4 tetrahedra that share corners with two equivalent Sr(2)P6 octahedra, corners with two equivalent Sr(3)P6 octahedra, edges with two equivalent Sr(3)P6 octahedra,  an edgeedge with one Al(2)P4 tetrahedra, and  an edgeedge with one Al(1)Sr2P4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Sr(1), one Sr(2), one Sr(3), one Al(1), and one Al(2) atom. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Na(2), two equivalent Na(1), two equivalent Sr(1), two equivalent Sr(3), and one Al(1) atom. In the third P site, P(3) is bonded in a 7-coordinate geometry to two equivalent Sr(2), four equivalent Sr(1), and one P(3) atom. In the fourth P site, P(4) is bonded in a 8-coordinate geometry to two equivalent Sr(2), four equivalent Sr(1), one Al(1), and one P(4) atom. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Sr(1), two equivalent Sr(3), and two equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSr2AlP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.139
_cell_length_c   11.572
_cell_angle_alpha   76.122
_cell_angle_beta   76.122
_cell_angle_gamma   67.919
_symmetry_Int_Tables_number   1
_cell_volume   679.923
_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  0.301  0.699  0.000  1.0
  Na  Na1  1  0.357  0.357  0.231  1.0
  Na  Na2  1  0.643  0.643  0.769  1.0
  Na  Na3  1  0.699  0.301  0.000  1.0
  Sr  Sr4  1  0.749  0.192  0.686  1.0
  Sr  Sr5  1  0.251  0.808  0.314  1.0
  Sr  Sr6  1  0.192  0.749  0.686  1.0
  Sr  Sr7  1  0.500  0.000  0.500  1.0
  Sr  Sr8  1  0.808  0.251  0.314  1.0
  Sr  Sr9  1  0.000  0.500  0.000  1.0
  Sr  Sr10  1  0.500  0.000  0.000  1.0
  Sr  Sr11  1  0.000  0.500  0.500  1.0
  Al  Al12  1  0.698  0.698  0.267  1.0
  Al  Al13  1  0.090  0.090  0.882  1.0
  Al  Al14  1  0.910  0.910  0.118  1.0
  Al  Al15  1  0.302  0.302  0.733  1.0
  P  P16  1  0.021  0.613  0.229  1.0
  P  P17  1  0.591  0.591  0.137  1.0
  P  P18  1  0.979  0.387  0.771  1.0
  P  P19  1  0.087  0.087  0.486  1.0
  P  P20  1  0.586  0.586  0.488  1.0
  P  P21  1  0.910  0.910  0.906  1.0
  P  P22  1  0.090  0.090  0.094  1.0
  P  P23  1  0.409  0.409  0.863  1.0
  P  P24  1  0.613  0.021  0.229  1.0
  P  P25  1  0.913  0.913  0.514  1.0
  P  P26  1  0.387  0.979  0.771  1.0
  P  P27  1  0.414  0.414  0.512  1.0
[/CIF]
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