The material described by Ti2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to six equivalent P(1) atoms. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ti(2), two equivalent P(1), and two equivalent P(3) atoms to form distorted CoTi2P4 tetrahedra that share corners with four equivalent Co(2)P4 tetrahedra, corners with four equivalent Co(3)P4 tetrahedra, corners with four equivalent Co(1)Ti2P4 tetrahedra,  an edgeedge with one Co(3)P4 tetrahedra, edges with two equivalent Co(2)P4 tetrahedra, edges with two equivalent Co(1)Ti2P4 tetrahedra, and faces with two equivalent Co(1)Ti2P4 tetrahedra. In the second Co site, Co(2) is bonded to two equivalent P(1) and two equivalent P(3) atoms to form distorted CoP4 tetrahedra that share corners with two equivalent Co(3)P4 tetrahedra, corners with four equivalent Co(2)P4 tetrahedra, corners with four equivalent Co(1)Ti2P4 tetrahedra, edges with two equivalent Co(3)P4 tetrahedra, and edges with two equivalent Co(1)Ti2P4 tetrahedra. 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 Co(2)P4 tetrahedra, corners with four equivalent Co(3)P4 tetrahedra, corners with four equivalent Co(1)Ti2P4 tetrahedra,  an edgeedge with one Co(1)Ti2P4 tetrahedra, and edges with two equivalent Co(2)P4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), 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 Ti(1), one Co(4), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Co(3) and six equivalent Co(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Ti(2), one Co(3), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.784
_cell_length_b   8.784
_cell_length_c   3.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   232.231
_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
  Ti  Ti0  1  0.000  0.000  1.000  1.0
  Ti  Ti1  1  0.333  0.667  0.500  1.0
  Co  Co2  1  0.104  0.398  1.000  1.0
  Co  Co3  1  0.602  0.706  0.000  1.0
  Co  Co4  1  0.294  0.896  0.000  1.0
  Co  Co5  1  0.052  0.772  0.500  1.0
  Co  Co6  1  0.228  0.280  0.500  1.0
  Co  Co7  1  0.720  0.948  0.500  1.0
  Co  Co8  1  0.824  0.610  1.000  1.0
  Co  Co9  1  0.390  0.214  0.000  1.0
  Co  Co10  1  0.786  0.176  1.000  1.0
  Co  Co11  1  0.899  0.433  0.500  1.0
  Co  Co12  1  0.567  0.467  0.500  1.0
  Co  Co13  1  0.533  0.101  0.500  1.0
  P  P14  1  0.789  0.746  0.500  1.0
  P  P15  1  0.254  0.042  0.500  1.0
  P  P16  1  0.957  0.211  0.500  1.0
  P  P17  1  0.667  0.333  1.000  1.0
  P  P18  1  0.082  0.628  0.000  1.0
  P  P19  1  0.372  0.454  0.000  1.0
  P  P20  1  0.546  0.918  0.000  1.0
[/CIF]
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The material described by Ti2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to six equivalent P(1) atoms. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ti(2), two equivalent P(1), and two equivalent P(3) atoms to form distorted CoTi2P4 tetrahedra that share corners with four equivalent Co(2)P4 tetrahedra, corners with four equivalent Co(3)P4 tetrahedra, corners with four equivalent Co(1)Ti2P4 tetrahedra,  an edgeedge with one Co(3)P4 tetrahedra, edges with two equivalent Co(2)P4 tetrahedra, edges with two equivalent Co(1)Ti2P4 tetrahedra, and faces with two equivalent Co(1)Ti2P4 tetrahedra. In the second Co site, Co(2) is bonded to two equivalent P(1) and two equivalent P(3) atoms to form distorted CoP4 tetrahedra that share corners with two equivalent Co(3)P4 tetrahedra, corners with four equivalent Co(2)P4 tetrahedra, corners with four equivalent Co(1)Ti2P4 tetrahedra, edges with two equivalent Co(3)P4 tetrahedra, and edges with two equivalent Co(1)Ti2P4 tetrahedra. 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 Co(2)P4 tetrahedra, corners with four equivalent Co(3)P4 tetrahedra, corners with four equivalent Co(1)Ti2P4 tetrahedra,  an edgeedge with one Co(1)Ti2P4 tetrahedra, and edges with two equivalent Co(2)P4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), 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 Ti(1), one Co(4), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Co(3) and six equivalent Co(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Ti(2), one Co(3), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.784
_cell_length_b   8.784
_cell_length_c   3.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   232.231
_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
  Ti  Ti0  1  0.000  0.000  1.000  1.0
  Ti  Ti1  1  0.333  0.667  0.500  1.0
  Co  Co2  1  0.104  0.398  1.000  1.0
  Co  Co3  1  0.602  0.706  0.000  1.0
  Co  Co4  1  0.294  0.896  0.000  1.0
  Co  Co5  1  0.052  0.772  0.500  1.0
  Co  Co6  1  0.228  0.280  0.500  1.0
  Co  Co7  1  0.720  0.948  0.500  1.0
  Co  Co8  1  0.824  0.610  1.000  1.0
  Co  Co9  1  0.390  0.214  0.000  1.0
  Co  Co10  1  0.786  0.176  1.000  1.0
  Co  Co11  1  0.899  0.433  0.500  1.0
  Co  Co12  1  0.567  0.467  0.500  1.0
  Co  Co13  1  0.533  0.101  0.500  1.0
  P  P14  1  0.789  0.746  0.500  1.0
  P  P15  1  0.254  0.042  0.500  1.0
  P  P16  1  0.957  0.211  0.500  1.0
  P  P17  1  0.667  0.333  1.000  1.0
  P  P18  1  0.082  0.628  0.000  1.0
  P  P19  1  0.372  0.454  0.000  1.0
  P  P20  1  0.546  0.918  0.000  1.0
[/CIF]
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