The compound described by SrNd3Fe4(AsO)4 crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent As(3) and four equivalent O(1) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to four equivalent As(3) and four equivalent O(1) atoms. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to two equivalent As(1), two equivalent As(2), and four equivalent O(1) atoms. Fe(1) is bonded to one As(1), one As(2), and two equivalent As(3) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Nd(2) and four equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Nd(2) and four equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and four equivalent Fe(1) atoms. O(1) is bonded to one Sr(1), one Nd(1), and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing OSrNd3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNd3Fe4(AsO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.298
_cell_length_b   10.298
_cell_length_c   10.298
_cell_angle_alpha   147.199
_cell_angle_beta   147.199
_cell_angle_gamma   47.069
_symmetry_Int_Tables_number   1
_cell_volume   319.247
_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  0.435  0.435  0.000  1.0
  Nd  Nd1  1  0.942  0.942  0.000  1.0
  Nd  Nd2  1  0.559  0.059  0.500  1.0
  Nd  Nd3  1  0.059  0.559  0.500  1.0
  Fe  Fe4  1  0.500  0.999  0.000  1.0
  Fe  Fe5  1  0.999  0.500  0.000  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.999  0.999  0.500  1.0
  As  As8  1  0.663  0.663  0.000  1.0
  As  As9  1  0.164  0.164  0.000  1.0
  As  As10  1  0.335  0.835  0.500  1.0
  As  As11  1  0.835  0.335  0.500  1.0
  O  O12  1  0.246  0.758  0.000  1.0
  O  O13  1  0.758  0.246  0.000  1.0
  O  O14  1  0.246  0.246  0.488  1.0
  O  O15  1  0.758  0.758  0.512  1.0
[/CIF]
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The compound described by SrNd3Fe4(AsO)4 crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent As(3) and four equivalent O(1) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to four equivalent As(3) and four equivalent O(1) atoms. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to two equivalent As(1), two equivalent As(2), and four equivalent O(1) atoms. Fe(1) is bonded to one As(1), one As(2), and two equivalent As(3) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Nd(2) and four equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Nd(2) and four equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and four equivalent Fe(1) atoms. O(1) is bonded to one Sr(1), one Nd(1), and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing OSrNd3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNd3Fe4(AsO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.298
_cell_length_b   10.298
_cell_length_c   10.298
_cell_angle_alpha   147.199
_cell_angle_beta   147.199
_cell_angle_gamma   47.069
_symmetry_Int_Tables_number   1
_cell_volume   319.247
_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  0.435  0.435  0.000  1.0
  Nd  Nd1  1  0.942  0.942  0.000  1.0
  Nd  Nd2  1  0.559  0.059  0.500  1.0
  Nd  Nd3  1  0.059  0.559  0.500  1.0
  Fe  Fe4  1  0.500  0.999  0.000  1.0
  Fe  Fe5  1  0.999  0.500  0.000  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Fe  Fe7  1  0.999  0.999  0.500  1.0
  As  As8  1  0.663  0.663  0.000  1.0
  As  As9  1  0.164  0.164  0.000  1.0
  As  As10  1  0.335  0.835  0.500  1.0
  As  As11  1  0.835  0.335  0.500  1.0
  O  O12  1  0.246  0.758  0.000  1.0
  O  O13  1  0.758  0.246  0.000  1.0
  O  O14  1  0.246  0.246  0.488  1.0
  O  O15  1  0.758  0.758  0.512  1.0
[/CIF]
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