The material described by SrMgNdWO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Nd(1)O12 cuboctahedra, faces with four equivalent Mg(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Nd(1) is bonded to twelve equivalent O(1) atoms to form NdO12 cuboctahedra that share corners with twelve equivalent Nd(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mg(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to two equivalent Sr(1), one Mg(1), two equivalent Nd(1), and one W(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr2Nd2MgW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_SrNdMgWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   5.650
_cell_length_c   5.650
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   127.511
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.250  0.250  0.250  1.0
  Nd  Nd1  1  0.750  0.750  0.750  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.747  0.253  0.253  1.0
  O  O5  1  0.253  0.747  0.747  1.0
  O  O6  1  0.747  0.253  0.747  1.0
  O  O7  1  0.253  0.747  0.253  1.0
  O  O8  1  0.747  0.747  0.253  1.0
  O  O9  1  0.253  0.253  0.747  1.0
[/CIF]
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The material described by SrMgNdWO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Nd(1)O12 cuboctahedra, faces with four equivalent Mg(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Nd(1) is bonded to twelve equivalent O(1) atoms to form NdO12 cuboctahedra that share corners with twelve equivalent Nd(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mg(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to two equivalent Sr(1), one Mg(1), two equivalent Nd(1), and one W(1) atom to form a mixture of distorted edge, face, and corner-sharing OSr2Nd2MgW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_SrNdMgWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   5.650
_cell_length_c   5.650
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   127.511
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.250  0.250  0.250  1.0
  Nd  Nd1  1  0.750  0.750  0.750  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.747  0.253  0.253  1.0
  O  O5  1  0.253  0.747  0.747  1.0
  O  O6  1  0.747  0.253  0.747  1.0
  O  O7  1  0.253  0.747  0.253  1.0
  O  O8  1  0.747  0.747  0.253  1.0
  O  O9  1  0.253  0.253  0.747  1.0
[/CIF]
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