The compound described by Nd4FeCo3(AsO)4 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to two equivalent As(2), two equivalent As(3), one O(1), one O(2), and two equivalent O(3) atoms. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(3) atoms. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form distorted FeAs4 tetrahedra that share corners with two equivalent Fe(1)As4 tetrahedra, corners with two equivalent Co(1)As4 tetrahedra, and edges with four equivalent Co(2)As4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent As(1) and two equivalent As(3) atoms to form CoAs4 tetrahedra that share corners with two equivalent Fe(1)As4 tetrahedra, corners with two equivalent Co(1)As4 tetrahedra, and edges with four equivalent Co(2)As4 tetrahedra. In the second Co site, Co(2) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form distorted CoAs4 tetrahedra that share corners with four equivalent Co(2)As4 tetrahedra, edges with two equivalent Fe(1)As4 tetrahedra, and edges with two equivalent Co(1)As4 tetrahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), one Fe(1), one Co(1), and two equivalent Co(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1), two equivalent Fe(1), and two equivalent Co(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to four equivalent Nd(1), two equivalent Co(1), and two equivalent Co(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Nd(3) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the third O site, O(3) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. is represented by the CIF file [CIF]
data_Nd4FeCo3(AsO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   7.985
_cell_length_c   9.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.361
_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
  Nd  Nd0  1  0.500  0.248  0.868  1.0
  Nd  Nd1  1  0.500  0.752  0.868  1.0
  Nd  Nd2  1  0.000  0.000  0.137  1.0
  Nd  Nd3  1  0.000  0.500  0.133  1.0
  Fe  Fe4  1  0.500  0.000  0.498  1.0
  Co  Co5  1  0.500  0.500  0.503  1.0
  Co  Co6  1  0.000  0.245  0.501  1.0
  Co  Co7  1  0.000  0.755  0.501  1.0
  As  As8  1  0.500  0.259  0.333  1.0
  As  As9  1  0.500  0.741  0.333  1.0
  As  As10  1  0.000  0.000  0.676  1.0
  As  As11  1  0.000  0.500  0.651  1.0
  O  O12  1  0.500  0.000  0.003  1.0
  O  O13  1  0.500  0.500  0.994  1.0
  O  O14  1  0.000  0.250  0.001  1.0
  O  O15  1  0.000  0.750  0.001  1.0
[/CIF]
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The compound described by Nd4FeCo3(AsO)4 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to two equivalent As(2), two equivalent As(3), one O(1), one O(2), and two equivalent O(3) atoms. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(1), and two equivalent O(3) atoms. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to four equivalent As(1), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form distorted FeAs4 tetrahedra that share corners with two equivalent Fe(1)As4 tetrahedra, corners with two equivalent Co(1)As4 tetrahedra, and edges with four equivalent Co(2)As4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent As(1) and two equivalent As(3) atoms to form CoAs4 tetrahedra that share corners with two equivalent Fe(1)As4 tetrahedra, corners with two equivalent Co(1)As4 tetrahedra, and edges with four equivalent Co(2)As4 tetrahedra. In the second Co site, Co(2) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form distorted CoAs4 tetrahedra that share corners with four equivalent Co(2)As4 tetrahedra, edges with two equivalent Fe(1)As4 tetrahedra, and edges with two equivalent Co(1)As4 tetrahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), one Fe(1), one Co(1), and two equivalent Co(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1), two equivalent Fe(1), and two equivalent Co(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to four equivalent Nd(1), two equivalent Co(1), and two equivalent Co(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Nd(3) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the third O site, O(3) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. is represented by the CIF file [CIF]
data_Nd4FeCo3(AsO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   7.985
_cell_length_c   9.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.361
_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
  Nd  Nd0  1  0.500  0.248  0.868  1.0
  Nd  Nd1  1  0.500  0.752  0.868  1.0
  Nd  Nd2  1  0.000  0.000  0.137  1.0
  Nd  Nd3  1  0.000  0.500  0.133  1.0
  Fe  Fe4  1  0.500  0.000  0.498  1.0
  Co  Co5  1  0.500  0.500  0.503  1.0
  Co  Co6  1  0.000  0.245  0.501  1.0
  Co  Co7  1  0.000  0.755  0.501  1.0
  As  As8  1  0.500  0.259  0.333  1.0
  As  As9  1  0.500  0.741  0.333  1.0
  As  As10  1  0.000  0.000  0.676  1.0
  As  As11  1  0.000  0.500  0.651  1.0
  O  O12  1  0.500  0.000  0.003  1.0
  O  O13  1  0.500  0.500  0.994  1.0
  O  O14  1  0.000  0.250  0.001  1.0
  O  O15  1  0.000  0.750  0.001  1.0
[/CIF]
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