The material described by Dy2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), three equivalent Co(2), six equivalent Co(3), and six equivalent P(2) atoms. In the second Dy site, Dy(2) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Dy(1), two equivalent Dy(2), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded to one Dy(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted CoDyP4 tetrahedra that share corners with two equivalent Co(3)Dy2P4 tetrahedra, corners with six equivalent Co(2)DyP4 tetrahedra, edges with two equivalent Co(3)Dy2P4 tetrahedra, and faces with two equivalent Co(3)Dy2P4 tetrahedra. In the third Co site, Co(3) is bonded to two equivalent Dy(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted CoDy2P4 tetrahedra that share corners with two equivalent Co(2)DyP4 tetrahedra, corners with four equivalent Co(3)Dy2P4 tetrahedra, edges with two equivalent Co(3)Dy2P4 tetrahedra, edges with two equivalent Co(2)DyP4 tetrahedra, faces with two equivalent Co(3)Dy2P4 tetrahedra, and faces with two equivalent Co(2)DyP4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Dy(2), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Co(4), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(4) atoms. is represented by the CIF card [CIF]
data_Dy2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.028
_cell_length_b   9.028
_cell_length_c   3.602
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   254.287
_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
  Dy  Dy0  1  0.333  0.667  0.000  1.0
  Dy  Dy1  1  0.667  0.333  0.500  1.0
  Co  Co2  1  0.433  0.373  0.000  1.0
  Co  Co3  1  0.627  0.060  0.000  1.0
  Co  Co4  1  0.940  0.567  0.000  1.0
  Co  Co5  1  0.154  0.881  0.000  1.0
  Co  Co6  1  0.119  0.273  0.000  1.0
  Co  Co7  1  0.727  0.846  0.000  1.0
  Co  Co8  1  0.383  0.948  0.500  1.0
  Co  Co9  1  0.052  0.436  0.500  1.0
  Co  Co10  1  0.564  0.617  0.500  1.0
  Co  Co11  1  0.233  0.131  0.500  1.0
  Co  Co12  1  0.869  0.102  0.500  1.0
  Co  Co13  1  0.898  0.767  0.500  1.0
  P  P14  1  0.407  0.112  0.000  1.0
  P  P15  1  0.888  0.295  0.000  1.0
  P  P16  1  0.705  0.593  0.000  1.0
  P  P17  1  0.111  0.709  0.500  1.0
  P  P18  1  0.291  0.402  0.500  1.0
  P  P19  1  0.598  0.889  0.500  1.0
  P  P20  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Dy2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), three equivalent Co(2), six equivalent Co(3), and six equivalent P(2) atoms. In the second Dy site, Dy(2) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Dy(1), two equivalent Dy(2), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded to one Dy(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted CoDyP4 tetrahedra that share corners with two equivalent Co(3)Dy2P4 tetrahedra, corners with six equivalent Co(2)DyP4 tetrahedra, edges with two equivalent Co(3)Dy2P4 tetrahedra, and faces with two equivalent Co(3)Dy2P4 tetrahedra. In the third Co site, Co(3) is bonded to two equivalent Dy(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted CoDy2P4 tetrahedra that share corners with two equivalent Co(2)DyP4 tetrahedra, corners with four equivalent Co(3)Dy2P4 tetrahedra, edges with two equivalent Co(3)Dy2P4 tetrahedra, edges with two equivalent Co(2)DyP4 tetrahedra, faces with two equivalent Co(3)Dy2P4 tetrahedra, and faces with two equivalent Co(2)DyP4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Dy(2), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Co(4), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(4) atoms. is represented by the CIF card [CIF]
data_Dy2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.028
_cell_length_b   9.028
_cell_length_c   3.602
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   254.287
_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
  Dy  Dy0  1  0.333  0.667  0.000  1.0
  Dy  Dy1  1  0.667  0.333  0.500  1.0
  Co  Co2  1  0.433  0.373  0.000  1.0
  Co  Co3  1  0.627  0.060  0.000  1.0
  Co  Co4  1  0.940  0.567  0.000  1.0
  Co  Co5  1  0.154  0.881  0.000  1.0
  Co  Co6  1  0.119  0.273  0.000  1.0
  Co  Co7  1  0.727  0.846  0.000  1.0
  Co  Co8  1  0.383  0.948  0.500  1.0
  Co  Co9  1  0.052  0.436  0.500  1.0
  Co  Co10  1  0.564  0.617  0.500  1.0
  Co  Co11  1  0.233  0.131  0.500  1.0
  Co  Co12  1  0.869  0.102  0.500  1.0
  Co  Co13  1  0.898  0.767  0.500  1.0
  P  P14  1  0.407  0.112  0.000  1.0
  P  P15  1  0.888  0.295  0.000  1.0
  P  P16  1  0.705  0.593  0.000  1.0
  P  P17  1  0.111  0.709  0.500  1.0
  P  P18  1  0.291  0.402  0.500  1.0
  P  P19  1  0.598  0.889  0.500  1.0
  P  P20  1  0.000  0.000  0.000  1.0
[/CIF]
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