The material described by Na3SmMn3(AsO5)3 crystallizes in the hexagonal P6_3/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Sm(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. As(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mn(1), and one As(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one As(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Sm(1), and two equivalent Mn(1) atoms. In the fourth O site, O(2) is bonded to one Na(1), one Sm(1), one Mn(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing ONaSmMnAs trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3SmMn3(AsO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.276
_cell_length_b   11.276
_cell_length_c   6.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   674.570
_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  0.840  0.730  0.750  1.0
  Na  Na1  1  0.890  0.160  0.750  1.0
  Na  Na2  1  0.270  0.110  0.750  1.0
  Na  Na3  1  0.160  0.270  0.250  1.0
  Na  Na4  1  0.110  0.840  0.250  1.0
  Na  Na5  1  0.730  0.890  0.250  1.0
  Sm  Sm6  1  0.333  0.667  0.250  1.0
  Sm  Sm7  1  0.667  0.333  0.750  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.500  0.500  1.0
  Mn  Mn10  1  0.500  0.000  0.500  1.0
  Mn  Mn11  1  0.500  0.500  0.000  1.0
  Mn  Mn12  1  0.000  0.500  0.000  1.0
  Mn  Mn13  1  0.500  0.000  0.000  1.0
  As  As14  1  0.214  0.400  0.750  1.0
  As  As15  1  0.186  0.786  0.750  1.0
  As  As16  1  0.600  0.814  0.750  1.0
  As  As17  1  0.786  0.600  0.250  1.0
  As  As18  1  0.814  0.214  0.250  1.0
  As  As19  1  0.400  0.186  0.250  1.0
  O  O20  1  0.524  0.614  0.250  1.0
  O  O21  1  0.089  0.476  0.250  1.0
  O  O22  1  0.386  0.911  0.250  1.0
  O  O23  1  0.476  0.386  0.750  1.0
  O  O24  1  0.911  0.524  0.750  1.0
  O  O25  1  0.614  0.089  0.750  1.0
  O  O26  1  0.308  0.482  0.518  1.0
  O  O27  1  0.174  0.692  0.518  1.0
  O  O28  1  0.518  0.826  0.518  1.0
  O  O29  1  0.692  0.518  0.018  1.0
  O  O30  1  0.826  0.308  0.018  1.0
  O  O31  1  0.482  0.174  0.018  1.0
  O  O32  1  0.692  0.518  0.482  1.0
  O  O33  1  0.826  0.308  0.482  1.0
  O  O34  1  0.482  0.174  0.482  1.0
  O  O35  1  0.308  0.482  0.982  1.0
  O  O36  1  0.174  0.692  0.982  1.0
  O  O37  1  0.518  0.826  0.982  1.0
  O  O38  1  0.073  0.422  0.750  1.0
  O  O39  1  0.349  0.927  0.750  1.0
  O  O40  1  0.578  0.651  0.750  1.0
  O  O41  1  0.927  0.578  0.250  1.0
  O  O42  1  0.651  0.073  0.250  1.0
  O  O43  1  0.422  0.349  0.250  1.0
  O  O44  1  0.150  0.228  0.750  1.0
  O  O45  1  0.078  0.850  0.750  1.0
  O  O46  1  0.772  0.922  0.750  1.0
  O  O47  1  0.850  0.772  0.250  1.0
  O  O48  1  0.922  0.150  0.250  1.0
  O  O49  1  0.228  0.078  0.250  1.0
[/CIF]
.
The material described by Na3SmMn3(AsO5)3 crystallizes in the hexagonal P6_3/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Sm(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. As(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mn(1), and one As(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one As(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Sm(1), and two equivalent Mn(1) atoms. In the fourth O site, O(2) is bonded to one Na(1), one Sm(1), one Mn(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing ONaSmMnAs trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3SmMn3(AsO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.276
_cell_length_b   11.276
_cell_length_c   6.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   674.570
_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  0.840  0.730  0.750  1.0
  Na  Na1  1  0.890  0.160  0.750  1.0
  Na  Na2  1  0.270  0.110  0.750  1.0
  Na  Na3  1  0.160  0.270  0.250  1.0
  Na  Na4  1  0.110  0.840  0.250  1.0
  Na  Na5  1  0.730  0.890  0.250  1.0
  Sm  Sm6  1  0.333  0.667  0.250  1.0
  Sm  Sm7  1  0.667  0.333  0.750  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.500  0.500  1.0
  Mn  Mn10  1  0.500  0.000  0.500  1.0
  Mn  Mn11  1  0.500  0.500  0.000  1.0
  Mn  Mn12  1  0.000  0.500  0.000  1.0
  Mn  Mn13  1  0.500  0.000  0.000  1.0
  As  As14  1  0.214  0.400  0.750  1.0
  As  As15  1  0.186  0.786  0.750  1.0
  As  As16  1  0.600  0.814  0.750  1.0
  As  As17  1  0.786  0.600  0.250  1.0
  As  As18  1  0.814  0.214  0.250  1.0
  As  As19  1  0.400  0.186  0.250  1.0
  O  O20  1  0.524  0.614  0.250  1.0
  O  O21  1  0.089  0.476  0.250  1.0
  O  O22  1  0.386  0.911  0.250  1.0
  O  O23  1  0.476  0.386  0.750  1.0
  O  O24  1  0.911  0.524  0.750  1.0
  O  O25  1  0.614  0.089  0.750  1.0
  O  O26  1  0.308  0.482  0.518  1.0
  O  O27  1  0.174  0.692  0.518  1.0
  O  O28  1  0.518  0.826  0.518  1.0
  O  O29  1  0.692  0.518  0.018  1.0
  O  O30  1  0.826  0.308  0.018  1.0
  O  O31  1  0.482  0.174  0.018  1.0
  O  O32  1  0.692  0.518  0.482  1.0
  O  O33  1  0.826  0.308  0.482  1.0
  O  O34  1  0.482  0.174  0.482  1.0
  O  O35  1  0.308  0.482  0.982  1.0
  O  O36  1  0.174  0.692  0.982  1.0
  O  O37  1  0.518  0.826  0.982  1.0
  O  O38  1  0.073  0.422  0.750  1.0
  O  O39  1  0.349  0.927  0.750  1.0
  O  O40  1  0.578  0.651  0.750  1.0
  O  O41  1  0.927  0.578  0.250  1.0
  O  O42  1  0.651  0.073  0.250  1.0
  O  O43  1  0.422  0.349  0.250  1.0
  O  O44  1  0.150  0.228  0.750  1.0
  O  O45  1  0.078  0.850  0.750  1.0
  O  O46  1  0.772  0.922  0.750  1.0
  O  O47  1  0.850  0.772  0.250  1.0
  O  O48  1  0.922  0.150  0.250  1.0
  O  O49  1  0.228  0.078  0.250  1.0
[/CIF]
.