The compound described by NaMgGa(SO4)3 crystallizes in the trigonal R3c space group. Na(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Mg(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. Ga(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form GaO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) 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 25-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ga(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ga(1), and one S(1) atom. is represented by the CIF card [CIF]
data_NaMgGa(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.539
_cell_length_b   8.539
_cell_length_c   8.920
_cell_angle_alpha   61.404
_cell_angle_beta   61.404
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   469.460
_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  0.650  0.650  0.049  1.0
  Ga  Ga1  1  0.150  0.150  0.549  1.0
  Mg  Mg2  1  0.352  0.352  0.943  1.0
  Mg  Mg3  1  0.852  0.852  0.443  1.0
  Na  Na4  1  0.499  0.499  0.503  1.0
  Na  Na5  1  0.999  0.999  0.003  1.0
  O  O6  1  0.282  0.119  0.088  1.0
  O  O7  1  0.510  0.282  0.088  1.0
  O  O8  1  0.119  0.510  0.088  1.0
  O  O9  1  0.619  0.782  0.588  1.0
  O  O10  1  0.010  0.619  0.588  1.0
  O  O11  1  0.782  0.010  0.588  1.0
  O  O12  1  0.731  0.874  0.915  1.0
  O  O13  1  0.480  0.731  0.915  1.0
  O  O14  1  0.874  0.480  0.915  1.0
  O  O15  1  0.374  0.231  0.415  1.0
  O  O16  1  0.980  0.374  0.415  1.0
  O  O17  1  0.231  0.980  0.415  1.0
  O  O18  1  0.588  0.215  0.769  1.0
  O  O19  1  0.428  0.588  0.769  1.0
  O  O20  1  0.215  0.428  0.769  1.0
  O  O21  1  0.715  0.088  0.269  1.0
  O  O22  1  0.928  0.715  0.269  1.0
  O  O23  1  0.088  0.928  0.269  1.0
  O  O24  1  0.426  0.778  0.232  1.0
  O  O25  1  0.563  0.426  0.232  1.0
  O  O26  1  0.778  0.563  0.232  1.0
  O  O27  1  0.278  0.926  0.732  1.0
  O  O28  1  0.063  0.278  0.732  1.0
  O  O29  1  0.926  0.063  0.732  1.0
  S  S30  1  0.254  0.957  0.247  1.0
  S  S31  1  0.541  0.254  0.247  1.0
  S  S32  1  0.957  0.541  0.247  1.0
  S  S33  1  0.457  0.754  0.747  1.0
  S  S34  1  0.041  0.457  0.747  1.0
  S  S35  1  0.754  0.041  0.747  1.0
[/CIF]
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The compound described by NaMgGa(SO4)3 crystallizes in the trigonal R3c space group. Na(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Mg(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. Ga(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form GaO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) 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 25-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ga(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ga(1), and one S(1) atom. is represented by the CIF card [CIF]
data_NaMgGa(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.539
_cell_length_b   8.539
_cell_length_c   8.920
_cell_angle_alpha   61.404
_cell_angle_beta   61.404
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   469.460
_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  0.650  0.650  0.049  1.0
  Ga  Ga1  1  0.150  0.150  0.549  1.0
  Mg  Mg2  1  0.352  0.352  0.943  1.0
  Mg  Mg3  1  0.852  0.852  0.443  1.0
  Na  Na4  1  0.499  0.499  0.503  1.0
  Na  Na5  1  0.999  0.999  0.003  1.0
  O  O6  1  0.282  0.119  0.088  1.0
  O  O7  1  0.510  0.282  0.088  1.0
  O  O8  1  0.119  0.510  0.088  1.0
  O  O9  1  0.619  0.782  0.588  1.0
  O  O10  1  0.010  0.619  0.588  1.0
  O  O11  1  0.782  0.010  0.588  1.0
  O  O12  1  0.731  0.874  0.915  1.0
  O  O13  1  0.480  0.731  0.915  1.0
  O  O14  1  0.874  0.480  0.915  1.0
  O  O15  1  0.374  0.231  0.415  1.0
  O  O16  1  0.980  0.374  0.415  1.0
  O  O17  1  0.231  0.980  0.415  1.0
  O  O18  1  0.588  0.215  0.769  1.0
  O  O19  1  0.428  0.588  0.769  1.0
  O  O20  1  0.215  0.428  0.769  1.0
  O  O21  1  0.715  0.088  0.269  1.0
  O  O22  1  0.928  0.715  0.269  1.0
  O  O23  1  0.088  0.928  0.269  1.0
  O  O24  1  0.426  0.778  0.232  1.0
  O  O25  1  0.563  0.426  0.232  1.0
  O  O26  1  0.778  0.563  0.232  1.0
  O  O27  1  0.278  0.926  0.732  1.0
  O  O28  1  0.063  0.278  0.732  1.0
  O  O29  1  0.926  0.063  0.732  1.0
  S  S30  1  0.254  0.957  0.247  1.0
  S  S31  1  0.541  0.254  0.247  1.0
  S  S32  1  0.957  0.541  0.247  1.0
  S  S33  1  0.457  0.754  0.747  1.0
  S  S34  1  0.041  0.457  0.747  1.0
  S  S35  1  0.754  0.041  0.747  1.0
[/CIF]
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