The material structure described by NaCa(PO2)3 crystallizes in the cubic P2_13 space group. Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NaO6 octahedra that share edges with three equivalent Ca(1)O6 octahedra. Ca(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CaO6 octahedra that share edges with three equivalent Na(1)O6 octahedra. P(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Ca(1), and one P(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Ca(1), and one P(1) atom. is represented by the CIF card [CIF]
data_NaCa(PO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.893
_cell_length_b   9.893
_cell_length_c   9.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   968.384
_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  0.872  0.372  0.128  1.0
  Na  Na1  1  0.372  0.128  0.872  1.0
  Na  Na2  1  0.128  0.872  0.372  1.0
  Na  Na3  1  0.628  0.628  0.628  1.0
  Ca  Ca4  1  0.326  0.826  0.674  1.0
  Ca  Ca5  1  0.826  0.674  0.326  1.0
  Ca  Ca6  1  0.674  0.326  0.826  1.0
  Ca  Ca7  1  0.174  0.174  0.174  1.0
  P  P8  1  0.982  0.699  0.660  1.0
  P  P9  1  0.340  0.482  0.801  1.0
  P  P10  1  0.199  0.840  0.018  1.0
  P  P11  1  0.482  0.801  0.340  1.0
  P  P12  1  0.840  0.018  0.199  1.0
  P  P13  1  0.699  0.660  0.982  1.0
  P  P14  1  0.018  0.199  0.840  1.0
  P  P15  1  0.660  0.982  0.699  1.0
  P  P16  1  0.801  0.340  0.482  1.0
  P  P17  1  0.518  0.301  0.160  1.0
  P  P18  1  0.160  0.518  0.301  1.0
  P  P19  1  0.301  0.160  0.518  1.0
  O  O20  1  0.863  0.695  0.562  1.0
  O  O21  1  0.438  0.363  0.805  1.0
  O  O22  1  0.195  0.938  0.137  1.0
  O  O23  1  0.363  0.805  0.438  1.0
  O  O24  1  0.938  0.137  0.195  1.0
  O  O25  1  0.695  0.562  0.863  1.0
  O  O26  1  0.137  0.195  0.938  1.0
  O  O27  1  0.562  0.863  0.695  1.0
  O  O28  1  0.805  0.438  0.363  1.0
  O  O29  1  0.637  0.305  0.062  1.0
  O  O30  1  0.062  0.637  0.305  1.0
  O  O31  1  0.305  0.062  0.637  1.0
  O  O32  1  0.098  0.788  0.611  1.0
  O  O33  1  0.389  0.598  0.712  1.0
  O  O34  1  0.288  0.889  0.902  1.0
  O  O35  1  0.598  0.712  0.389  1.0
  O  O36  1  0.889  0.902  0.288  1.0
  O  O37  1  0.788  0.611  0.098  1.0
  O  O38  1  0.902  0.288  0.889  1.0
  O  O39  1  0.611  0.098  0.788  1.0
  O  O40  1  0.712  0.389  0.598  1.0
  O  O41  1  0.402  0.212  0.111  1.0
  O  O42  1  0.111  0.402  0.212  1.0
  O  O43  1  0.212  0.111  0.402  1.0
[/CIF]
.
The material structure described by NaCa(PO2)3 crystallizes in the cubic P2_13 space group. Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NaO6 octahedra that share edges with three equivalent Ca(1)O6 octahedra. Ca(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CaO6 octahedra that share edges with three equivalent Na(1)O6 octahedra. P(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Ca(1), and one P(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Ca(1), and one P(1) atom. is represented by the CIF card [CIF]
data_NaCa(PO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.893
_cell_length_b   9.893
_cell_length_c   9.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   968.384
_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  0.872  0.372  0.128  1.0
  Na  Na1  1  0.372  0.128  0.872  1.0
  Na  Na2  1  0.128  0.872  0.372  1.0
  Na  Na3  1  0.628  0.628  0.628  1.0
  Ca  Ca4  1  0.326  0.826  0.674  1.0
  Ca  Ca5  1  0.826  0.674  0.326  1.0
  Ca  Ca6  1  0.674  0.326  0.826  1.0
  Ca  Ca7  1  0.174  0.174  0.174  1.0
  P  P8  1  0.982  0.699  0.660  1.0
  P  P9  1  0.340  0.482  0.801  1.0
  P  P10  1  0.199  0.840  0.018  1.0
  P  P11  1  0.482  0.801  0.340  1.0
  P  P12  1  0.840  0.018  0.199  1.0
  P  P13  1  0.699  0.660  0.982  1.0
  P  P14  1  0.018  0.199  0.840  1.0
  P  P15  1  0.660  0.982  0.699  1.0
  P  P16  1  0.801  0.340  0.482  1.0
  P  P17  1  0.518  0.301  0.160  1.0
  P  P18  1  0.160  0.518  0.301  1.0
  P  P19  1  0.301  0.160  0.518  1.0
  O  O20  1  0.863  0.695  0.562  1.0
  O  O21  1  0.438  0.363  0.805  1.0
  O  O22  1  0.195  0.938  0.137  1.0
  O  O23  1  0.363  0.805  0.438  1.0
  O  O24  1  0.938  0.137  0.195  1.0
  O  O25  1  0.695  0.562  0.863  1.0
  O  O26  1  0.137  0.195  0.938  1.0
  O  O27  1  0.562  0.863  0.695  1.0
  O  O28  1  0.805  0.438  0.363  1.0
  O  O29  1  0.637  0.305  0.062  1.0
  O  O30  1  0.062  0.637  0.305  1.0
  O  O31  1  0.305  0.062  0.637  1.0
  O  O32  1  0.098  0.788  0.611  1.0
  O  O33  1  0.389  0.598  0.712  1.0
  O  O34  1  0.288  0.889  0.902  1.0
  O  O35  1  0.598  0.712  0.389  1.0
  O  O36  1  0.889  0.902  0.288  1.0
  O  O37  1  0.788  0.611  0.098  1.0
  O  O38  1  0.902  0.288  0.889  1.0
  O  O39  1  0.611  0.098  0.788  1.0
  O  O40  1  0.712  0.389  0.598  1.0
  O  O41  1  0.402  0.212  0.111  1.0
  O  O42  1  0.111  0.402  0.212  1.0
  O  O43  1  0.212  0.111  0.402  1.0
[/CIF]
.