The compound described by Mg2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(1) atoms. In the second Mg site, Mg(2) is bonded to six equivalent Co(4) and six equivalent P(2) atoms to form distorted MgCo6P6 cuboctahedra that share corners with six equivalent Co(3)P4 tetrahedra and faces with two equivalent Mg(2)Co6P6 cuboctahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Co site, Co(3) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form distorted CoP4 tetrahedra that share corners with two equivalent Mg(2)Co6P6 cuboctahedra and corners with four equivalent Co(3)P4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 4-coordinate geometry to two equivalent Mg(2), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), 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 Mg(2), one Co(3), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(3) and six equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.968
_cell_length_b   8.968
_cell_length_c   3.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   241.538
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.333  0.667  0.500  1.0
  Co  Co2  1  0.049  0.775  0.500  1.0
  Co  Co3  1  0.727  0.951  0.500  1.0
  Co  Co4  1  0.906  0.439  0.500  1.0
  Co  Co5  1  0.533  0.094  0.500  1.0
  Co  Co6  1  0.561  0.467  0.500  1.0
  Co  Co7  1  0.392  0.212  0.000  1.0
  Co  Co8  1  0.788  0.180  0.000  1.0
  Co  Co9  1  0.820  0.608  0.000  1.0
  Co  Co10  1  0.600  0.710  0.000  1.0
  Co  Co11  1  0.290  0.890  0.000  1.0
  Co  Co12  1  0.110  0.400  0.000  1.0
  Co  Co13  1  0.225  0.273  0.500  1.0
  P  P14  1  0.261  0.041  0.500  1.0
  P  P15  1  0.959  0.220  0.500  1.0
  P  P16  1  0.780  0.739  0.500  1.0
  P  P17  1  0.376  0.449  0.000  1.0
  P  P18  1  0.551  0.927  0.000  1.0
  P  P19  1  0.073  0.624  0.000  1.0
  P  P20  1  0.667  0.333  0.000  1.0
[/CIF]
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The compound described by Mg2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(1) atoms. In the second Mg site, Mg(2) is bonded to six equivalent Co(4) and six equivalent P(2) atoms to form distorted MgCo6P6 cuboctahedra that share corners with six equivalent Co(3)P4 tetrahedra and faces with two equivalent Mg(2)Co6P6 cuboctahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Co site, Co(3) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form distorted CoP4 tetrahedra that share corners with two equivalent Mg(2)Co6P6 cuboctahedra and corners with four equivalent Co(3)P4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 4-coordinate geometry to two equivalent Mg(2), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), 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 Mg(2), one Co(3), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(3) and six equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.968
_cell_length_b   8.968
_cell_length_c   3.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   241.538
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.333  0.667  0.500  1.0
  Co  Co2  1  0.049  0.775  0.500  1.0
  Co  Co3  1  0.727  0.951  0.500  1.0
  Co  Co4  1  0.906  0.439  0.500  1.0
  Co  Co5  1  0.533  0.094  0.500  1.0
  Co  Co6  1  0.561  0.467  0.500  1.0
  Co  Co7  1  0.392  0.212  0.000  1.0
  Co  Co8  1  0.788  0.180  0.000  1.0
  Co  Co9  1  0.820  0.608  0.000  1.0
  Co  Co10  1  0.600  0.710  0.000  1.0
  Co  Co11  1  0.290  0.890  0.000  1.0
  Co  Co12  1  0.110  0.400  0.000  1.0
  Co  Co13  1  0.225  0.273  0.500  1.0
  P  P14  1  0.261  0.041  0.500  1.0
  P  P15  1  0.959  0.220  0.500  1.0
  P  P16  1  0.780  0.739  0.500  1.0
  P  P17  1  0.376  0.449  0.000  1.0
  P  P18  1  0.551  0.927  0.000  1.0
  P  P19  1  0.073  0.624  0.000  1.0
  P  P20  1  0.667  0.333  0.000  1.0
[/CIF]
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