The material described by Na3InP2 crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one In(2), one P(1), one P(2), and two equivalent P(4) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one In(1), two equivalent In(2), two equivalent P(2), and two equivalent P(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one In(2), one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the fourth Na site, Na(4) is bonded to one In(2), one P(1), one P(2), and two equivalent P(3) atoms to form distorted edge-sharing NaInP4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 4-coordinate geometry to one In(2), one P(3), two equivalent P(1), and two equivalent P(4) atoms. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to two equivalent In(2), one P(1), one P(3), one P(4), and two equivalent P(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one Na(2), one P(3), one P(4), and two equivalent P(1) atoms. In the second In site, In(2) is bonded in a 12-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(6), one P(3), one P(4), and two equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(6), two equivalent Na(5), and two equivalent In(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Na(1), one Na(3), one Na(4), two equivalent Na(2), two equivalent Na(6), and two equivalent In(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Na(3), one Na(5), one Na(6), two equivalent Na(2), two equivalent Na(4), one In(1), and one In(2) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Na(6), two equivalent Na(1), two equivalent Na(3), two equivalent Na(5), one In(1), and one In(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3InP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.319
_cell_length_b   9.389
_cell_length_c   15.288
_cell_angle_alpha   87.360
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1049.557
_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  0.152  0.876  0.704  1.0
  Na  Na1  1  0.652  0.124  0.796  1.0
  Na  Na2  1  0.848  0.124  0.296  1.0
  Na  Na3  1  0.348  0.876  0.204  1.0
  Na  Na4  1  0.492  0.560  0.105  1.0
  Na  Na5  1  0.992  0.440  0.395  1.0
  Na  Na6  1  0.508  0.440  0.895  1.0
  Na  Na7  1  0.008  0.560  0.605  1.0
  Na  Na8  1  0.969  0.188  0.650  1.0
  Na  Na9  1  0.469  0.812  0.850  1.0
  Na  Na10  1  0.031  0.812  0.350  1.0
  Na  Na11  1  0.531  0.188  0.150  1.0
  Na  Na12  1  0.846  0.384  0.045  1.0
  Na  Na13  1  0.346  0.616  0.455  1.0
  Na  Na14  1  0.154  0.616  0.955  1.0
  Na  Na15  1  0.654  0.384  0.545  1.0
  Na  Na16  1  0.978  0.934  0.894  1.0
  Na  Na17  1  0.478  0.066  0.606  1.0
  Na  Na18  1  0.022  0.066  0.106  1.0
  Na  Na19  1  0.522  0.934  0.394  1.0
  Na  Na20  1  0.004  0.321  0.863  1.0
  Na  Na21  1  0.504  0.679  0.637  1.0
  Na  Na22  1  0.996  0.679  0.137  1.0
  Na  Na23  1  0.496  0.321  0.363  1.0
  In  In24  1  0.642  0.874  0.041  1.0
  In  In25  1  0.142  0.126  0.459  1.0
  In  In26  1  0.358  0.126  0.959  1.0
  In  In27  1  0.858  0.874  0.541  1.0
  In  In28  1  0.654  0.636  0.290  1.0
  In  In29  1  0.154  0.364  0.210  1.0
  In  In30  1  0.346  0.364  0.710  1.0
  In  In31  1  0.846  0.636  0.790  1.0
  P  P32  1  0.218  0.874  0.524  1.0
  P  P33  1  0.718  0.126  0.976  1.0
  P  P34  1  0.782  0.126  0.476  1.0
  P  P35  1  0.282  0.874  0.024  1.0
  P  P36  1  0.707  0.407  0.725  1.0
  P  P37  1  0.207  0.593  0.775  1.0
  P  P38  1  0.293  0.593  0.275  1.0
  P  P39  1  0.793  0.407  0.225  1.0
  P  P40  1  0.763  0.652  0.958  1.0
  P  P41  1  0.263  0.348  0.542  1.0
  P  P42  1  0.237  0.348  0.042  1.0
  P  P43  1  0.737  0.652  0.458  1.0
  P  P44  1  0.760  0.875  0.706  1.0
  P  P45  1  0.260  0.125  0.794  1.0
  P  P46  1  0.240  0.125  0.294  1.0
  P  P47  1  0.740  0.875  0.206  1.0
[/CIF]
.
The material described by Na3InP2 crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one In(2), one P(1), one P(2), and two equivalent P(4) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one In(1), two equivalent In(2), two equivalent P(2), and two equivalent P(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one In(2), one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the fourth Na site, Na(4) is bonded to one In(2), one P(1), one P(2), and two equivalent P(3) atoms to form distorted edge-sharing NaInP4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 4-coordinate geometry to one In(2), one P(3), two equivalent P(1), and two equivalent P(4) atoms. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to two equivalent In(2), one P(1), one P(3), one P(4), and two equivalent P(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one Na(2), one P(3), one P(4), and two equivalent P(1) atoms. In the second In site, In(2) is bonded in a 12-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(6), one P(3), one P(4), and two equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(6), two equivalent Na(5), and two equivalent In(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Na(1), one Na(3), one Na(4), two equivalent Na(2), two equivalent Na(6), and two equivalent In(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Na(3), one Na(5), one Na(6), two equivalent Na(2), two equivalent Na(4), one In(1), and one In(2) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Na(6), two equivalent Na(1), two equivalent Na(3), two equivalent Na(5), one In(1), and one In(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3InP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.319
_cell_length_b   9.389
_cell_length_c   15.288
_cell_angle_alpha   87.360
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1049.557
_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  0.152  0.876  0.704  1.0
  Na  Na1  1  0.652  0.124  0.796  1.0
  Na  Na2  1  0.848  0.124  0.296  1.0
  Na  Na3  1  0.348  0.876  0.204  1.0
  Na  Na4  1  0.492  0.560  0.105  1.0
  Na  Na5  1  0.992  0.440  0.395  1.0
  Na  Na6  1  0.508  0.440  0.895  1.0
  Na  Na7  1  0.008  0.560  0.605  1.0
  Na  Na8  1  0.969  0.188  0.650  1.0
  Na  Na9  1  0.469  0.812  0.850  1.0
  Na  Na10  1  0.031  0.812  0.350  1.0
  Na  Na11  1  0.531  0.188  0.150  1.0
  Na  Na12  1  0.846  0.384  0.045  1.0
  Na  Na13  1  0.346  0.616  0.455  1.0
  Na  Na14  1  0.154  0.616  0.955  1.0
  Na  Na15  1  0.654  0.384  0.545  1.0
  Na  Na16  1  0.978  0.934  0.894  1.0
  Na  Na17  1  0.478  0.066  0.606  1.0
  Na  Na18  1  0.022  0.066  0.106  1.0
  Na  Na19  1  0.522  0.934  0.394  1.0
  Na  Na20  1  0.004  0.321  0.863  1.0
  Na  Na21  1  0.504  0.679  0.637  1.0
  Na  Na22  1  0.996  0.679  0.137  1.0
  Na  Na23  1  0.496  0.321  0.363  1.0
  In  In24  1  0.642  0.874  0.041  1.0
  In  In25  1  0.142  0.126  0.459  1.0
  In  In26  1  0.358  0.126  0.959  1.0
  In  In27  1  0.858  0.874  0.541  1.0
  In  In28  1  0.654  0.636  0.290  1.0
  In  In29  1  0.154  0.364  0.210  1.0
  In  In30  1  0.346  0.364  0.710  1.0
  In  In31  1  0.846  0.636  0.790  1.0
  P  P32  1  0.218  0.874  0.524  1.0
  P  P33  1  0.718  0.126  0.976  1.0
  P  P34  1  0.782  0.126  0.476  1.0
  P  P35  1  0.282  0.874  0.024  1.0
  P  P36  1  0.707  0.407  0.725  1.0
  P  P37  1  0.207  0.593  0.775  1.0
  P  P38  1  0.293  0.593  0.275  1.0
  P  P39  1  0.793  0.407  0.225  1.0
  P  P40  1  0.763  0.652  0.958  1.0
  P  P41  1  0.263  0.348  0.542  1.0
  P  P42  1  0.237  0.348  0.042  1.0
  P  P43  1  0.737  0.652  0.458  1.0
  P  P44  1  0.760  0.875  0.706  1.0
  P  P45  1  0.260  0.125  0.794  1.0
  P  P46  1  0.240  0.125  0.294  1.0
  P  P47  1  0.740  0.875  0.206  1.0
[/CIF]
.