The material described by Na6GaP3 crystallizes in the triclinic P1 space group. There are twenty-four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one P(3), one P(4), one P(8), and one P(9) atom. In the second Na site, Na(2) is bonded to one Na(6), one P(1), one P(12), one P(2), and one P(7) atom to form distorted NaNaP4 tetrahedra that share  a cornercorner with one Na(18)P4 tetrahedra,  a cornercorner with one Na(7)P4 tetrahedra,  an edgeedge with one Na(23)NaP4 tetrahedra, and  an edgeedge with one Na(7)P4 tetrahedra. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one Na(6), one P(2), one P(3), one P(4), and one P(8) atom. In the fourth Na site, Na(4) is bonded in a 3-coordinate geometry to one P(3), one P(5), and one P(9) atom. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one Ga(1), one Ga(4), one P(11), one P(12), one P(2), and one P(6) atom. In the sixth Na site, Na(6) is bonded in a 10-coordinate geometry to one Na(14), one Na(15), one Na(2), one Na(3), one Na(8), one Ga(4), one P(12), one P(2), one P(3), and one P(7) atom. In the seventh Na site, Na(7) is bonded to one P(12), one P(2), one P(4), and one P(7) atom to form a mixture of distorted corner and edge-sharing NaP4 tetrahedra. In the eighth Na site, Na(8) is bonded in a 4-coordinate geometry to one Na(6), one P(12), one P(2), one P(6), and one P(7) atom. In the ninth Na site, Na(9) is bonded in a 3-coordinate geometry to one P(1), one P(11), one P(5), and one P(6) atom. In the tenth Na site, Na(10) is bonded in a 4-coordinate geometry to one Na(19), one P(10), one P(5), one P(6), and one P(9) atom. In the eleventh Na site, Na(11) is bonded in a distorted trigonal planar geometry to one Na(19), one P(1), one P(10), and one P(9) atom. In the twelfth Na site, Na(12) is bonded in a 6-coordinate geometry to one Ga(2), one Ga(3), one P(3), one P(5), one P(8), and one P(9) atom. In the thirteenth Na site, Na(13) is bonded in a 6-coordinate geometry to one Ga(2), one Ga(3), one P(10), one P(4), one P(5), and one P(8) atom. In the fourteenth Na site, Na(14) is bonded in a 3-coordinate geometry to one Na(6), one P(12), one P(3), one P(4), and one P(8) atom. In the fifteenth Na site, Na(15) is bonded in a 4-coordinate geometry to one Na(6), one P(3), one P(4), one P(7), and one P(8) atom. In the sixteenth Na site, Na(16) is bonded in a 4-coordinate geometry to one P(12), one P(2), one P(7), and one P(8) atom. In the seventeenth Na site, Na(17) is bonded in a 4-coordinate geometry to one Na(19), one P(1), one P(11), one P(6), and one P(7) atom. In the eighteenth Na site, Na(18) is bonded to one P(1), one P(11), one P(6), and one P(9) atom to form a mixture of distorted corner and edge-sharing NaP4 tetrahedra. In the nineteenth Na site, Na(19) is bonded in a 10-coordinate geometry to one Na(10), one Na(11), one Na(17), one Na(22), one Na(23), one Ga(1), one P(1), one P(10), one P(11), and one P(6) atom. In the twentieth Na site, Na(20) is bonded in a 6-coordinate geometry to one Ga(1), one Ga(4), one P(1), one P(11), one P(2), and one P(7) atom. In the twenty-first Na site, Na(21) is bonded in a 3-coordinate geometry to one P(10), one P(3), one P(4), and one P(8) atom. In the twenty-second Na site, Na(22) is bonded in a 3-coordinate geometry to one Na(19), one P(10), one P(11), and one P(9) atom. In the twenty-third Na site, Na(23) is bonded to one Na(19), one P(1), one P(11), one P(12), and one P(6) atom to form distorted NaNaP4 tetrahedra that share  a cornercorner with one Na(18)P4 tetrahedra,  a cornercorner with one Na(7)P4 tetrahedra,  an edgeedge with one Na(2)NaP4 tetrahedra, and  an edgeedge with one Na(18)P4 tetrahedra. In the twenty-fourth Na site, Na(24) is bonded in a 4-coordinate geometry to one P(10), one P(4), one P(5), and one P(9) atom. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to one Na(19), one Na(20), one Na(5), one P(1), one P(11), and one P(6) atom. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to one Na(12), one Na(13), one P(3), one P(4), and one P(8) atom. In the third Ga site, Ga(3) is bonded in a 3-coordinate geometry to one Na(12), one Na(13), one P(10), one P(5), and one P(9) atom. In the fourth Ga site, Ga(4) is bonded in a 3-coordinate geometry to one Na(20), one Na(5), one Na(6), one P(12), one P(2), and one P(7) atom. There are twelve inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Na(11), one Na(17), one Na(18), one Na(19), one Na(2), one Na(20), one Na(23), one Na(9), and one Ga(1) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Na(16), one Na(2), one Na(20), one Na(3), one Na(5), one Na(6), one Na(7), one Na(8), and one Ga(4) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Na(1), one Na(12), one Na(14), one Na(15), one Na(21), one Na(3), one Na(4), one Na(6), and one Ga(2) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Na(1), one Na(13), one Na(14), one Na(15), one Na(21), one Na(24), one Na(3), one Na(7), and one Ga(2) atom. In the fifth P site, P(5) is bonded in a 7-coordinate geometry to one Na(10), one Na(12), one Na(13), one Na(24), one Na(4), one Na(9), and one Ga(3) atom. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to one Na(10), one Na(17), one Na(18), one Na(19), one Na(23), one Na(5), one Na(8), one Na(9), and one Ga(1) atom. In the seventh P site, P(7) is bonded in a 9-coordinate geometry to one Na(15), one Na(16), one Na(17), one Na(2), one Na(20), one Na(6), one Na(7), one Na(8), and one Ga(4) atom. In the eighth P site, P(8) is bonded in a 9-coordinate geometry to one Na(1), one Na(12), one Na(13), one Na(14), one Na(15), one Na(16), one Na(21), one Na(3), and one Ga(2) atom. In the ninth P site, P(9) is bonded in a 9-coordinate geometry to one Na(1), one Na(10), one Na(11), one Na(12), one Na(18), one Na(22), one Na(24), one Na(4), and one Ga(3) atom. In the tenth P site, P(10) is bonded in a 8-coordinate geometry to one Na(10), one Na(11), one Na(13), one Na(19), one Na(21), one Na(22), one Na(24), and one Ga(3) atom. In the eleventh P site, P(11) is bonded in a 9-coordinate geometry to one Na(17), one Na(18), one Na(19), one Na(20), one Na(22), one Na(23), one Na(5), one Na(9), and one Ga(1) atom. In the twelfth P site, P(12) is bonded in a 9-coordinate geometry to one Na(14), one Na(16), one Na(2), one Na(23), one Na(5), one Na(6), one Na(7), one Na(8), and one Ga(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6GaP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.052
_cell_length_b   8.118
_cell_length_c   16.042
_cell_angle_alpha   95.826
_cell_angle_beta   94.001
_cell_angle_gamma   119.653
_symmetry_Int_Tables_number   1
_cell_volume   897.815
_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  0.030  0.858  0.581  1.0
  Na  Na1  1  0.158  0.977  0.928  1.0
  Na  Na2  1  0.046  0.558  0.701  1.0
  Na  Na3  1  0.130  0.622  0.470  1.0
  Na  Na4  1  0.161  0.356  0.998  1.0
  Na  Na5  1  0.427  0.916  0.811  1.0
  Na  Na6  1  0.157  0.291  0.802  1.0
  Na  Na7  1  0.490  0.693  0.937  1.0
  Na  Na8  1  0.263  0.374  0.205  1.0
  Na  Na9  1  0.551  0.794  0.313  1.0
  Na  Na10  1  0.241  0.022  0.305  1.0
  Na  Na11  1  0.644  0.803  0.501  1.0
  Na  Na12  1  0.344  0.183  0.494  1.0
  Na  Na13  1  0.766  0.964  0.700  1.0
  Na  Na14  1  0.428  0.207  0.693  1.0
  Na  Na15  1  0.740  0.624  0.797  1.0
  Na  Na16  1  0.509  0.310  0.063  1.0
  Na  Na17  1  0.841  0.713  0.199  1.0
  Na  Na18  1  0.572  0.082  0.186  1.0
  Na  Na19  1  0.838  0.644  0.002  1.0
  Na  Na20  1  0.724  0.214  0.559  1.0
  Na  Na21  1  0.953  0.447  0.291  1.0
  Na  Na22  1  0.843  0.023  0.073  1.0
  Na  Na23  1  0.970  0.149  0.419  1.0
  Ga  Ga24  1  0.201  0.706  0.092  1.0
  Ga  Ga25  1  0.366  0.529  0.598  1.0
  Ga  Ga26  1  0.646  0.473  0.406  1.0
  Ga  Ga27  1  0.798  0.294  0.907  1.0
  P  P28  1  0.181  0.990  0.120  1.0
  P  P29  1  0.096  0.598  0.892  1.0
  P  P30  1  0.383  0.838  0.626  1.0
  P  P31  1  0.087  0.236  0.618  1.0
  P  P32  1  0.333  0.459  0.396  1.0
  P  P33  1  0.494  0.694  0.119  1.0
  P  P34  1  0.504  0.305  0.881  1.0
  P  P35  1  0.673  0.536  0.604  1.0
  P  P36  1  0.916  0.770  0.385  1.0
  P  P37  1  0.633  0.173  0.375  1.0
  P  P38  1  0.902  0.402  0.104  1.0
  P  P39  1  0.819  0.009  0.881  1.0
[/CIF]
.
The material described by Na6GaP3 crystallizes in the triclinic P1 space group. There are twenty-four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one P(3), one P(4), one P(8), and one P(9) atom. In the second Na site, Na(2) is bonded to one Na(6), one P(1), one P(12), one P(2), and one P(7) atom to form distorted NaNaP4 tetrahedra that share  a cornercorner with one Na(18)P4 tetrahedra,  a cornercorner with one Na(7)P4 tetrahedra,  an edgeedge with one Na(23)NaP4 tetrahedra, and  an edgeedge with one Na(7)P4 tetrahedra. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one Na(6), one P(2), one P(3), one P(4), and one P(8) atom. In the fourth Na site, Na(4) is bonded in a 3-coordinate geometry to one P(3), one P(5), and one P(9) atom. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one Ga(1), one Ga(4), one P(11), one P(12), one P(2), and one P(6) atom. In the sixth Na site, Na(6) is bonded in a 10-coordinate geometry to one Na(14), one Na(15), one Na(2), one Na(3), one Na(8), one Ga(4), one P(12), one P(2), one P(3), and one P(7) atom. In the seventh Na site, Na(7) is bonded to one P(12), one P(2), one P(4), and one P(7) atom to form a mixture of distorted corner and edge-sharing NaP4 tetrahedra. In the eighth Na site, Na(8) is bonded in a 4-coordinate geometry to one Na(6), one P(12), one P(2), one P(6), and one P(7) atom. In the ninth Na site, Na(9) is bonded in a 3-coordinate geometry to one P(1), one P(11), one P(5), and one P(6) atom. In the tenth Na site, Na(10) is bonded in a 4-coordinate geometry to one Na(19), one P(10), one P(5), one P(6), and one P(9) atom. In the eleventh Na site, Na(11) is bonded in a distorted trigonal planar geometry to one Na(19), one P(1), one P(10), and one P(9) atom. In the twelfth Na site, Na(12) is bonded in a 6-coordinate geometry to one Ga(2), one Ga(3), one P(3), one P(5), one P(8), and one P(9) atom. In the thirteenth Na site, Na(13) is bonded in a 6-coordinate geometry to one Ga(2), one Ga(3), one P(10), one P(4), one P(5), and one P(8) atom. In the fourteenth Na site, Na(14) is bonded in a 3-coordinate geometry to one Na(6), one P(12), one P(3), one P(4), and one P(8) atom. In the fifteenth Na site, Na(15) is bonded in a 4-coordinate geometry to one Na(6), one P(3), one P(4), one P(7), and one P(8) atom. In the sixteenth Na site, Na(16) is bonded in a 4-coordinate geometry to one P(12), one P(2), one P(7), and one P(8) atom. In the seventeenth Na site, Na(17) is bonded in a 4-coordinate geometry to one Na(19), one P(1), one P(11), one P(6), and one P(7) atom. In the eighteenth Na site, Na(18) is bonded to one P(1), one P(11), one P(6), and one P(9) atom to form a mixture of distorted corner and edge-sharing NaP4 tetrahedra. In the nineteenth Na site, Na(19) is bonded in a 10-coordinate geometry to one Na(10), one Na(11), one Na(17), one Na(22), one Na(23), one Ga(1), one P(1), one P(10), one P(11), and one P(6) atom. In the twentieth Na site, Na(20) is bonded in a 6-coordinate geometry to one Ga(1), one Ga(4), one P(1), one P(11), one P(2), and one P(7) atom. In the twenty-first Na site, Na(21) is bonded in a 3-coordinate geometry to one P(10), one P(3), one P(4), and one P(8) atom. In the twenty-second Na site, Na(22) is bonded in a 3-coordinate geometry to one Na(19), one P(10), one P(11), and one P(9) atom. In the twenty-third Na site, Na(23) is bonded to one Na(19), one P(1), one P(11), one P(12), and one P(6) atom to form distorted NaNaP4 tetrahedra that share  a cornercorner with one Na(18)P4 tetrahedra,  a cornercorner with one Na(7)P4 tetrahedra,  an edgeedge with one Na(2)NaP4 tetrahedra, and  an edgeedge with one Na(18)P4 tetrahedra. In the twenty-fourth Na site, Na(24) is bonded in a 4-coordinate geometry to one P(10), one P(4), one P(5), and one P(9) atom. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to one Na(19), one Na(20), one Na(5), one P(1), one P(11), and one P(6) atom. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to one Na(12), one Na(13), one P(3), one P(4), and one P(8) atom. In the third Ga site, Ga(3) is bonded in a 3-coordinate geometry to one Na(12), one Na(13), one P(10), one P(5), and one P(9) atom. In the fourth Ga site, Ga(4) is bonded in a 3-coordinate geometry to one Na(20), one Na(5), one Na(6), one P(12), one P(2), and one P(7) atom. There are twelve inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Na(11), one Na(17), one Na(18), one Na(19), one Na(2), one Na(20), one Na(23), one Na(9), and one Ga(1) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Na(16), one Na(2), one Na(20), one Na(3), one Na(5), one Na(6), one Na(7), one Na(8), and one Ga(4) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Na(1), one Na(12), one Na(14), one Na(15), one Na(21), one Na(3), one Na(4), one Na(6), and one Ga(2) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Na(1), one Na(13), one Na(14), one Na(15), one Na(21), one Na(24), one Na(3), one Na(7), and one Ga(2) atom. In the fifth P site, P(5) is bonded in a 7-coordinate geometry to one Na(10), one Na(12), one Na(13), one Na(24), one Na(4), one Na(9), and one Ga(3) atom. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to one Na(10), one Na(17), one Na(18), one Na(19), one Na(23), one Na(5), one Na(8), one Na(9), and one Ga(1) atom. In the seventh P site, P(7) is bonded in a 9-coordinate geometry to one Na(15), one Na(16), one Na(17), one Na(2), one Na(20), one Na(6), one Na(7), one Na(8), and one Ga(4) atom. In the eighth P site, P(8) is bonded in a 9-coordinate geometry to one Na(1), one Na(12), one Na(13), one Na(14), one Na(15), one Na(16), one Na(21), one Na(3), and one Ga(2) atom. In the ninth P site, P(9) is bonded in a 9-coordinate geometry to one Na(1), one Na(10), one Na(11), one Na(12), one Na(18), one Na(22), one Na(24), one Na(4), and one Ga(3) atom. In the tenth P site, P(10) is bonded in a 8-coordinate geometry to one Na(10), one Na(11), one Na(13), one Na(19), one Na(21), one Na(22), one Na(24), and one Ga(3) atom. In the eleventh P site, P(11) is bonded in a 9-coordinate geometry to one Na(17), one Na(18), one Na(19), one Na(20), one Na(22), one Na(23), one Na(5), one Na(9), and one Ga(1) atom. In the twelfth P site, P(12) is bonded in a 9-coordinate geometry to one Na(14), one Na(16), one Na(2), one Na(23), one Na(5), one Na(6), one Na(7), one Na(8), and one Ga(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6GaP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.052
_cell_length_b   8.118
_cell_length_c   16.042
_cell_angle_alpha   95.826
_cell_angle_beta   94.001
_cell_angle_gamma   119.653
_symmetry_Int_Tables_number   1
_cell_volume   897.815
_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  0.030  0.858  0.581  1.0
  Na  Na1  1  0.158  0.977  0.928  1.0
  Na  Na2  1  0.046  0.558  0.701  1.0
  Na  Na3  1  0.130  0.622  0.470  1.0
  Na  Na4  1  0.161  0.356  0.998  1.0
  Na  Na5  1  0.427  0.916  0.811  1.0
  Na  Na6  1  0.157  0.291  0.802  1.0
  Na  Na7  1  0.490  0.693  0.937  1.0
  Na  Na8  1  0.263  0.374  0.205  1.0
  Na  Na9  1  0.551  0.794  0.313  1.0
  Na  Na10  1  0.241  0.022  0.305  1.0
  Na  Na11  1  0.644  0.803  0.501  1.0
  Na  Na12  1  0.344  0.183  0.494  1.0
  Na  Na13  1  0.766  0.964  0.700  1.0
  Na  Na14  1  0.428  0.207  0.693  1.0
  Na  Na15  1  0.740  0.624  0.797  1.0
  Na  Na16  1  0.509  0.310  0.063  1.0
  Na  Na17  1  0.841  0.713  0.199  1.0
  Na  Na18  1  0.572  0.082  0.186  1.0
  Na  Na19  1  0.838  0.644  0.002  1.0
  Na  Na20  1  0.724  0.214  0.559  1.0
  Na  Na21  1  0.953  0.447  0.291  1.0
  Na  Na22  1  0.843  0.023  0.073  1.0
  Na  Na23  1  0.970  0.149  0.419  1.0
  Ga  Ga24  1  0.201  0.706  0.092  1.0
  Ga  Ga25  1  0.366  0.529  0.598  1.0
  Ga  Ga26  1  0.646  0.473  0.406  1.0
  Ga  Ga27  1  0.798  0.294  0.907  1.0
  P  P28  1  0.181  0.990  0.120  1.0
  P  P29  1  0.096  0.598  0.892  1.0
  P  P30  1  0.383  0.838  0.626  1.0
  P  P31  1  0.087  0.236  0.618  1.0
  P  P32  1  0.333  0.459  0.396  1.0
  P  P33  1  0.494  0.694  0.119  1.0
  P  P34  1  0.504  0.305  0.881  1.0
  P  P35  1  0.673  0.536  0.604  1.0
  P  P36  1  0.916  0.770  0.385  1.0
  P  P37  1  0.633  0.173  0.375  1.0
  P  P38  1  0.902  0.402  0.104  1.0
  P  P39  1  0.819  0.009  0.881  1.0
[/CIF]
.