The material described by NaMg2(SO4)3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with four equivalent S(2)O4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form SO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. In the second S site, S(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the third O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(2) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMg2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.675
_cell_length_b   8.691
_cell_length_c   9.030
_cell_angle_alpha   61.279
_cell_angle_beta   61.290
_cell_angle_gamma   60.062
_symmetry_Int_Tables_number   1
_cell_volume   490.806
_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
  Na  Na0  1  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Mg  Mg2  1  0.651  0.148  0.052  1.0
  Mg  Mg3  1  0.349  0.852  0.948  1.0
  Mg  Mg4  1  0.851  0.352  0.448  1.0
  Mg  Mg5  1  0.149  0.648  0.552  1.0
  S  S6  1  0.952  0.750  0.250  1.0
  S  S7  1  0.048  0.250  0.750  1.0
  S  S8  1  0.541  0.456  0.251  1.0
  S  S9  1  0.459  0.544  0.749  1.0
  S  S10  1  0.248  0.044  0.249  1.0
  S  S11  1  0.752  0.956  0.751  1.0
  O  O12  1  0.411  0.072  0.236  1.0
  O  O13  1  0.589  0.928  0.764  1.0
  O  O14  1  0.718  0.428  0.264  1.0
  O  O15  1  0.282  0.572  0.736  1.0
  O  O16  1  0.772  0.912  0.243  1.0
  O  O17  1  0.228  0.088  0.757  1.0
  O  O18  1  0.926  0.588  0.257  1.0
  O  O19  1  0.074  0.412  0.743  1.0
  O  O20  1  0.568  0.281  0.234  1.0
  O  O21  1  0.432  0.719  0.766  1.0
  O  O22  1  0.083  0.219  0.266  1.0
  O  O23  1  0.917  0.781  0.734  1.0
  O  O24  1  0.507  0.617  0.092  1.0
  O  O25  1  0.493  0.383  0.908  1.0
  O  O26  1  0.216  0.883  0.408  1.0
  O  O27  1  0.784  0.117  0.592  1.0
  O  O28  1  0.281  0.018  0.085  1.0
  O  O29  1  0.719  0.982  0.915  1.0
  O  O30  1  0.384  0.482  0.415  1.0
  O  O31  1  0.616  0.518  0.585  1.0
  O  O32  1  0.106  0.791  0.087  1.0
  O  O33  1  0.894  0.209  0.913  1.0
  O  O34  1  0.985  0.709  0.413  1.0
  O  O35  1  0.015  0.291  0.587  1.0
[/CIF]
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The material described by NaMg2(SO4)3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with four equivalent S(2)O4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form SO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. In the second S site, S(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the third O site, O(5) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(2) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMg2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.675
_cell_length_b   8.691
_cell_length_c   9.030
_cell_angle_alpha   61.279
_cell_angle_beta   61.290
_cell_angle_gamma   60.062
_symmetry_Int_Tables_number   1
_cell_volume   490.806
_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
  Na  Na0  1  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Mg  Mg2  1  0.651  0.148  0.052  1.0
  Mg  Mg3  1  0.349  0.852  0.948  1.0
  Mg  Mg4  1  0.851  0.352  0.448  1.0
  Mg  Mg5  1  0.149  0.648  0.552  1.0
  S  S6  1  0.952  0.750  0.250  1.0
  S  S7  1  0.048  0.250  0.750  1.0
  S  S8  1  0.541  0.456  0.251  1.0
  S  S9  1  0.459  0.544  0.749  1.0
  S  S10  1  0.248  0.044  0.249  1.0
  S  S11  1  0.752  0.956  0.751  1.0
  O  O12  1  0.411  0.072  0.236  1.0
  O  O13  1  0.589  0.928  0.764  1.0
  O  O14  1  0.718  0.428  0.264  1.0
  O  O15  1  0.282  0.572  0.736  1.0
  O  O16  1  0.772  0.912  0.243  1.0
  O  O17  1  0.228  0.088  0.757  1.0
  O  O18  1  0.926  0.588  0.257  1.0
  O  O19  1  0.074  0.412  0.743  1.0
  O  O20  1  0.568  0.281  0.234  1.0
  O  O21  1  0.432  0.719  0.766  1.0
  O  O22  1  0.083  0.219  0.266  1.0
  O  O23  1  0.917  0.781  0.734  1.0
  O  O24  1  0.507  0.617  0.092  1.0
  O  O25  1  0.493  0.383  0.908  1.0
  O  O26  1  0.216  0.883  0.408  1.0
  O  O27  1  0.784  0.117  0.592  1.0
  O  O28  1  0.281  0.018  0.085  1.0
  O  O29  1  0.719  0.982  0.915  1.0
  O  O30  1  0.384  0.482  0.415  1.0
  O  O31  1  0.616  0.518  0.585  1.0
  O  O32  1  0.106  0.791  0.087  1.0
  O  O33  1  0.894  0.209  0.913  1.0
  O  O34  1  0.985  0.709  0.413  1.0
  O  O35  1  0.015  0.291  0.587  1.0
[/CIF]
.