The structure described by Er2Fe6Co6P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 15-coordinate geometry to three equivalent Fe(2), six equivalent Co(1), and six equivalent P(3) atoms. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to six equivalent Fe(2), three equivalent Co(1), three equivalent Co(2), and six equivalent P(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. In the second Fe site, Fe(2) is bonded to one Er(1), two equivalent Er(2), two equivalent P(2), and two equivalent P(3) atoms to form distorted FeEr3P4 tetrahedra that share corners with two equivalent Co(2)ErP4 tetrahedra, corners with six equivalent Fe(2)Er3P4 tetrahedra, edges with two equivalent Fe(2)Er3P4 tetrahedra, edges with two equivalent Co(2)ErP4 tetrahedra, faces with two equivalent Fe(2)Er3P4 tetrahedra, and faces with two equivalent Co(2)ErP4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Er(2), two equivalent Er(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Co site, Co(2) is bonded to one Er(2), one P(1), one P(3), and two equivalent P(2) atoms to form distorted CoErP4 tetrahedra that share corners with two equivalent Fe(2)Er3P4 tetrahedra, corners with six equivalent Co(2)ErP4 tetrahedra, edges with two equivalent Fe(2)Er3P4 tetrahedra, and faces with two equivalent Fe(2)Er3P4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to six equivalent Fe(1) and three equivalent Co(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Er(2), one Fe(1), two equivalent Fe(2), two equivalent Co(1), and two equivalent Co(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Fe(1), two equivalent Fe(2), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Er2Fe6Co6P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.607
_cell_length_b   8.982
_cell_length_c   8.982
_cell_angle_alpha   59.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.055
_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
  Er  Er0  1  0.500  0.333  0.333  1.0
  Er  Er1  1  0.000  0.667  0.667  1.0
  Fe  Fe2  1  0.500  0.123  0.780  1.0
  Fe  Fe3  1  0.500  0.097  0.123  1.0
  Fe  Fe4  1  0.500  0.780  0.097  1.0
  Fe  Fe5  1  0.500  0.950  0.616  1.0
  Fe  Fe6  1  0.500  0.434  0.950  1.0
  Fe  Fe7  1  0.500  0.616  0.434  1.0
  Co  Co8  1  0.000  0.370  0.568  1.0
  Co  Co9  1  0.000  0.062  0.370  1.0
  Co  Co10  1  0.000  0.568  0.062  1.0
  Co  Co11  1  0.000  0.881  0.846  1.0
  Co  Co12  1  0.000  0.274  0.881  1.0
  Co  Co13  1  0.000  0.845  0.274  1.0
  P  P14  1  0.000  1.000  1.000  1.0
  P  P15  1  0.500  0.709  0.887  1.0
  P  P16  1  0.500  0.404  0.709  1.0
  P  P17  1  0.500  0.887  0.403  1.0
  P  P18  1  0.000  0.111  0.591  1.0
  P  P19  1  0.000  0.298  0.111  1.0
  P  P20  1  0.000  0.591  0.298  1.0
[/CIF]
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The structure described by Er2Fe6Co6P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 15-coordinate geometry to three equivalent Fe(2), six equivalent Co(1), and six equivalent P(3) atoms. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to six equivalent Fe(2), three equivalent Co(1), three equivalent Co(2), and six equivalent P(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. In the second Fe site, Fe(2) is bonded to one Er(1), two equivalent Er(2), two equivalent P(2), and two equivalent P(3) atoms to form distorted FeEr3P4 tetrahedra that share corners with two equivalent Co(2)ErP4 tetrahedra, corners with six equivalent Fe(2)Er3P4 tetrahedra, edges with two equivalent Fe(2)Er3P4 tetrahedra, edges with two equivalent Co(2)ErP4 tetrahedra, faces with two equivalent Fe(2)Er3P4 tetrahedra, and faces with two equivalent Co(2)ErP4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Er(2), two equivalent Er(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Co site, Co(2) is bonded to one Er(2), one P(1), one P(3), and two equivalent P(2) atoms to form distorted CoErP4 tetrahedra that share corners with two equivalent Fe(2)Er3P4 tetrahedra, corners with six equivalent Co(2)ErP4 tetrahedra, edges with two equivalent Fe(2)Er3P4 tetrahedra, and faces with two equivalent Fe(2)Er3P4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to six equivalent Fe(1) and three equivalent Co(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Er(2), one Fe(1), two equivalent Fe(2), two equivalent Co(1), and two equivalent Co(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Fe(1), two equivalent Fe(2), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Er2Fe6Co6P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.607
_cell_length_b   8.982
_cell_length_c   8.982
_cell_angle_alpha   59.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.055
_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
  Er  Er0  1  0.500  0.333  0.333  1.0
  Er  Er1  1  0.000  0.667  0.667  1.0
  Fe  Fe2  1  0.500  0.123  0.780  1.0
  Fe  Fe3  1  0.500  0.097  0.123  1.0
  Fe  Fe4  1  0.500  0.780  0.097  1.0
  Fe  Fe5  1  0.500  0.950  0.616  1.0
  Fe  Fe6  1  0.500  0.434  0.950  1.0
  Fe  Fe7  1  0.500  0.616  0.434  1.0
  Co  Co8  1  0.000  0.370  0.568  1.0
  Co  Co9  1  0.000  0.062  0.370  1.0
  Co  Co10  1  0.000  0.568  0.062  1.0
  Co  Co11  1  0.000  0.881  0.846  1.0
  Co  Co12  1  0.000  0.274  0.881  1.0
  Co  Co13  1  0.000  0.845  0.274  1.0
  P  P14  1  0.000  1.000  1.000  1.0
  P  P15  1  0.500  0.709  0.887  1.0
  P  P16  1  0.500  0.404  0.709  1.0
  P  P17  1  0.500  0.887  0.403  1.0
  P  P18  1  0.000  0.111  0.591  1.0
  P  P19  1  0.000  0.298  0.111  1.0
  P  P20  1  0.000  0.591  0.298  1.0
[/CIF]
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