The compound described by Na3MgYP2SO12 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 5-coordinate geometry to one O(10), one O(12), one O(3), one O(8), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate 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. Y(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 YO6 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 Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-39°. 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 Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. 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 Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-38°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-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 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 distorted bent 150 degrees geometry to one Y(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 Y(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 Y(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted 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 distorted 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 4-coordinate geometry to one Na(2), one Na(3), one Y(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Y(1), and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal bipyramidal geometry to one Na(1), one Na(2), one Na(3), one Y(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Na3YMgP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.173
_cell_length_b   9.173
_cell_length_c   9.242
_cell_angle_alpha   60.967
_cell_angle_beta   60.967
_cell_angle_gamma   60.178
_symmetry_Int_Tables_number   1
_cell_volume   558.545
_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
  Mg  Mg0  1  0.659  0.646  0.050  1.0
  Mg  Mg1  1  0.146  0.159  0.550  1.0
  Na  Na2  1  0.401  0.757  0.735  1.0
  Na  Na3  1  0.755  0.127  0.731  1.0
  Na  Na4  1  0.627  0.255  0.231  1.0
  Na  Na5  1  0.257  0.901  0.235  1.0
  Na  Na6  1  0.532  0.502  0.478  1.0
  Na  Na7  1  0.002  0.032  0.978  1.0
  O  O8  1  0.482  0.877  0.916  1.0
  O  O9  1  0.888  0.722  0.898  1.0
  O  O10  1  0.711  0.470  0.933  1.0
  O  O11  1  0.970  0.211  0.433  1.0
  O  O12  1  0.222  0.388  0.398  1.0
  O  O13  1  0.377  0.982  0.416  1.0
  O  O14  1  0.514  0.112  0.089  1.0
  O  O15  1  0.105  0.279  0.105  1.0
  O  O16  1  0.288  0.532  0.083  1.0
  O  O17  1  0.032  0.788  0.583  1.0
  O  O18  1  0.779  0.605  0.605  1.0
  O  O19  1  0.612  0.014  0.589  1.0
  O  O20  1  0.559  0.780  0.233  1.0
  O  O21  1  0.768  0.410  0.244  1.0
  O  O22  1  0.418  0.557  0.244  1.0
  O  O23  1  0.057  0.918  0.744  1.0
  O  O24  1  0.910  0.268  0.744  1.0
  O  O25  1  0.280  0.059  0.733  1.0
  O  O26  1  0.429  0.214  0.763  1.0
  O  O27  1  0.215  0.610  0.765  1.0
  O  O28  1  0.585  0.428  0.766  1.0
  O  O29  1  0.928  0.085  0.266  1.0
  O  O30  1  0.110  0.715  0.265  1.0
  O  O31  1  0.714  0.929  0.263  1.0
  P  P32  1  0.447  0.040  0.754  1.0
  P  P33  1  0.751  0.441  0.765  1.0
  P  P34  1  0.941  0.251  0.265  1.0
  P  P35  1  0.540  0.947  0.254  1.0
  S  S36  1  0.044  0.758  0.750  1.0
  S  S37  1  0.258  0.544  0.250  1.0
  Y  Y38  1  0.341  0.344  0.950  1.0
  Y  Y39  1  0.844  0.841  0.450  1.0
[/CIF]
.
The compound described by Na3MgYP2SO12 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 5-coordinate geometry to one O(10), one O(12), one O(3), one O(8), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate 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. Y(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 YO6 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 Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-39°. 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 Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. 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 Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-38°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-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 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 distorted bent 150 degrees geometry to one Y(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 Y(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 Y(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted 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 distorted 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 4-coordinate geometry to one Na(2), one Na(3), one Y(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Y(1), and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal bipyramidal geometry to one Na(1), one Na(2), one Na(3), one Y(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Na3YMgP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.173
_cell_length_b   9.173
_cell_length_c   9.242
_cell_angle_alpha   60.967
_cell_angle_beta   60.967
_cell_angle_gamma   60.178
_symmetry_Int_Tables_number   1
_cell_volume   558.545
_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
  Mg  Mg0  1  0.659  0.646  0.050  1.0
  Mg  Mg1  1  0.146  0.159  0.550  1.0
  Na  Na2  1  0.401  0.757  0.735  1.0
  Na  Na3  1  0.755  0.127  0.731  1.0
  Na  Na4  1  0.627  0.255  0.231  1.0
  Na  Na5  1  0.257  0.901  0.235  1.0
  Na  Na6  1  0.532  0.502  0.478  1.0
  Na  Na7  1  0.002  0.032  0.978  1.0
  O  O8  1  0.482  0.877  0.916  1.0
  O  O9  1  0.888  0.722  0.898  1.0
  O  O10  1  0.711  0.470  0.933  1.0
  O  O11  1  0.970  0.211  0.433  1.0
  O  O12  1  0.222  0.388  0.398  1.0
  O  O13  1  0.377  0.982  0.416  1.0
  O  O14  1  0.514  0.112  0.089  1.0
  O  O15  1  0.105  0.279  0.105  1.0
  O  O16  1  0.288  0.532  0.083  1.0
  O  O17  1  0.032  0.788  0.583  1.0
  O  O18  1  0.779  0.605  0.605  1.0
  O  O19  1  0.612  0.014  0.589  1.0
  O  O20  1  0.559  0.780  0.233  1.0
  O  O21  1  0.768  0.410  0.244  1.0
  O  O22  1  0.418  0.557  0.244  1.0
  O  O23  1  0.057  0.918  0.744  1.0
  O  O24  1  0.910  0.268  0.744  1.0
  O  O25  1  0.280  0.059  0.733  1.0
  O  O26  1  0.429  0.214  0.763  1.0
  O  O27  1  0.215  0.610  0.765  1.0
  O  O28  1  0.585  0.428  0.766  1.0
  O  O29  1  0.928  0.085  0.266  1.0
  O  O30  1  0.110  0.715  0.265  1.0
  O  O31  1  0.714  0.929  0.263  1.0
  P  P32  1  0.447  0.040  0.754  1.0
  P  P33  1  0.751  0.441  0.765  1.0
  P  P34  1  0.941  0.251  0.265  1.0
  P  P35  1  0.540  0.947  0.254  1.0
  S  S36  1  0.044  0.758  0.750  1.0
  S  S37  1  0.258  0.544  0.250  1.0
  Y  Y38  1  0.341  0.344  0.950  1.0
  Y  Y39  1  0.844  0.841  0.450  1.0
[/CIF]
.