The material described by Na3MgGaP2SO12 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(5), one O(6), one O(7), one O(9), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(8), one O(9), and two equivalent O(4) atoms. In the third Na site, Na(3) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. Ga(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form distorted GaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-41°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-40°. S(1) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Mg(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(2), one Mg(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Na(2), one Ga(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Ga(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Ga(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(3), one Mg(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(2), one Na(3), one Mg(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Na(2), one Na(3), one Ga(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Ga(1), and one S(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ga(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3MgGaP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.809
_cell_length_b   8.809
_cell_length_c   8.854
_cell_angle_alpha   91.283
_cell_angle_beta   119.011
_cell_angle_gamma   119.342
_symmetry_Int_Tables_number   1
_cell_volume   492.384
_cell_formula_units_Z   2
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
  Ga  Ga0  1  0.690  0.329  0.047  1.0
  Ga  Ga1  1  0.718  0.857  0.547  1.0
  Mg  Mg2  1  0.290  0.645  0.945  1.0
  Mg  Mg3  1  0.300  0.155  0.445  1.0
  Na  Na4  1  0.865  0.754  0.258  1.0
  Na  Na5  1  0.506  0.120  0.263  1.0
  Na  Na6  1  0.143  0.257  0.763  1.0
  Na  Na7  1  0.504  0.893  0.758  1.0
  Na  Na8  1  0.988  0.499  0.508  1.0
  Na  Na9  1  0.009  0.020  0.008  1.0
  O  O10  1  0.594  0.878  0.075  1.0
  O  O11  1  0.212  0.716  0.095  1.0
  O  O12  1  0.361  0.477  0.066  1.0
  O  O13  1  0.589  0.205  0.566  1.0
  O  O14  1  0.379  0.383  0.595  1.0
  O  O15  1  0.197  0.981  0.575  1.0
  O  O16  1  0.393  0.129  0.921  1.0
  O  O17  1  0.777  0.266  0.911  1.0
  O  O18  1  0.648  0.530  0.926  1.0
  O  O19  1  0.396  0.778  0.426  1.0
  O  O20  1  0.645  0.634  0.411  1.0
  O  O21  1  0.793  0.028  0.421  1.0
  O  O22  1  0.199  0.780  0.767  1.0
  O  O23  1  0.985  0.402  0.762  1.0
  O  O24  1  0.360  0.573  0.766  1.0
  O  O25  1  0.193  0.907  0.266  1.0
  O  O26  1  0.360  0.277  0.262  1.0
  O  O27  1  0.987  0.067  0.267  1.0
  O  O28  1  0.797  0.226  0.234  1.0
  O  O29  1  0.016  0.585  0.237  1.0
  O  O30  1  0.667  0.440  0.231  1.0
  O  O31  1  0.791  0.064  0.731  1.0
  O  O32  1  0.652  0.721  0.737  1.0
  O  O33  1  0.007  0.936  0.734  1.0
  P  P34  1  0.794  0.047  0.245  1.0
  P  P35  1  0.497  0.454  0.240  1.0
  P  P36  1  0.785  0.242  0.740  1.0
  P  P37  1  0.198  0.951  0.745  1.0
  S  S38  1  0.205  0.743  0.254  1.0
  S  S39  1  0.511  0.550  0.754  1.0
[/CIF]
.
The material described by Na3MgGaP2SO12 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(5), one O(6), one O(7), one O(9), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(8), one O(9), and two equivalent O(4) atoms. In the third Na site, Na(3) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. Ga(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form distorted GaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-41°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-40°. S(1) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-36°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Mg(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(2), one Mg(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Na(2), one Ga(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Ga(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Ga(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(3), one Mg(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(2), one Na(3), one Mg(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Na(2), one Na(3), one Ga(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Ga(1), and one S(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ga(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3MgGaP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.809
_cell_length_b   8.809
_cell_length_c   8.854
_cell_angle_alpha   91.283
_cell_angle_beta   119.011
_cell_angle_gamma   119.342
_symmetry_Int_Tables_number   1
_cell_volume   492.384
_cell_formula_units_Z   2
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
  Ga  Ga0  1  0.690  0.329  0.047  1.0
  Ga  Ga1  1  0.718  0.857  0.547  1.0
  Mg  Mg2  1  0.290  0.645  0.945  1.0
  Mg  Mg3  1  0.300  0.155  0.445  1.0
  Na  Na4  1  0.865  0.754  0.258  1.0
  Na  Na5  1  0.506  0.120  0.263  1.0
  Na  Na6  1  0.143  0.257  0.763  1.0
  Na  Na7  1  0.504  0.893  0.758  1.0
  Na  Na8  1  0.988  0.499  0.508  1.0
  Na  Na9  1  0.009  0.020  0.008  1.0
  O  O10  1  0.594  0.878  0.075  1.0
  O  O11  1  0.212  0.716  0.095  1.0
  O  O12  1  0.361  0.477  0.066  1.0
  O  O13  1  0.589  0.205  0.566  1.0
  O  O14  1  0.379  0.383  0.595  1.0
  O  O15  1  0.197  0.981  0.575  1.0
  O  O16  1  0.393  0.129  0.921  1.0
  O  O17  1  0.777  0.266  0.911  1.0
  O  O18  1  0.648  0.530  0.926  1.0
  O  O19  1  0.396  0.778  0.426  1.0
  O  O20  1  0.645  0.634  0.411  1.0
  O  O21  1  0.793  0.028  0.421  1.0
  O  O22  1  0.199  0.780  0.767  1.0
  O  O23  1  0.985  0.402  0.762  1.0
  O  O24  1  0.360  0.573  0.766  1.0
  O  O25  1  0.193  0.907  0.266  1.0
  O  O26  1  0.360  0.277  0.262  1.0
  O  O27  1  0.987  0.067  0.267  1.0
  O  O28  1  0.797  0.226  0.234  1.0
  O  O29  1  0.016  0.585  0.237  1.0
  O  O30  1  0.667  0.440  0.231  1.0
  O  O31  1  0.791  0.064  0.731  1.0
  O  O32  1  0.652  0.721  0.737  1.0
  O  O33  1  0.007  0.936  0.734  1.0
  P  P34  1  0.794  0.047  0.245  1.0
  P  P35  1  0.497  0.454  0.240  1.0
  P  P36  1  0.785  0.242  0.740  1.0
  P  P37  1  0.198  0.951  0.745  1.0
  S  S38  1  0.205  0.743  0.254  1.0
  S  S39  1  0.511  0.550  0.754  1.0
[/CIF]
.