The crystal structure described by Ti7P4 crystallizes in the monoclinic C2/m space group. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted square co-planar geometry to two equivalent P(1) and two equivalent P(4) atoms. In the second Ti site, Ti(2) is bonded in a distorted square co-planar geometry to two equivalent P(2) and two equivalent P(3) atoms. In the third Ti site, Ti(3) is bonded in a 4-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(4) atoms. In the fourth Ti site, Ti(4) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(2) atoms. In the fifth Ti site, Ti(5) is bonded to one P(4), two equivalent P(1), and two equivalent P(3) atoms to form a mixture of distorted corner, face, and edge-sharing TiP5 trigonal bipyramids. In the sixth Ti site, Ti(6) is bonded in a 5-coordinate geometry to two equivalent P(4) and three equivalent P(1) atoms. In the seventh Ti site, Ti(7) is bonded to one P(4), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner, face, and edge-sharing TiP5 trigonal bipyramids. In the eighth Ti site, Ti(8) is bonded in a 5-coordinate geometry to two equivalent P(3) and three equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(3) is bonded in a 8-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(5), two equivalent Ti(7), and two equivalent Ti(8) atoms. In the second P site, P(4) is bonded to one Ti(1), one Ti(5), one Ti(7), two equivalent Ti(3), and two equivalent Ti(6) atoms to form a mixture of distorted corner and edge-sharing PTi7 pentagonal bipyramids. In the third P site, P(1) is bonded in a 9-coordinate geometry to one Ti(1), one Ti(4), two equivalent Ti(3), two equivalent Ti(5), and three equivalent Ti(6) atoms. In the fourth P site, P(2) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(4), two equivalent Ti(7), and three equivalent Ti(8) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti7P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.398
_cell_length_b   7.499
_cell_length_c   13.620
_cell_angle_alpha   104.429
_cell_angle_beta   89.993
_cell_angle_gamma   103.103
_symmetry_Int_Tables_number   1
_cell_volume   326.801
_cell_formula_units_Z   2
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  1.000  1.000  1.000  1.0
  Ti  Ti1  1  0.500  1.000  0.500  1.0
  Ti  Ti2  1  0.429  0.858  0.830  1.0
  Ti  Ti3  1  0.571  0.142  0.170  1.0
  Ti  Ti4  1  0.196  0.393  0.308  1.0
  Ti  Ti5  1  0.804  0.607  0.692  1.0
  Ti  Ti6  1  0.205  0.410  0.794  1.0
  Ti  Ti7  1  0.795  0.590  0.206  1.0
  Ti  Ti8  1  0.340  0.679  0.031  1.0
  Ti  Ti9  1  0.660  0.321  0.968  1.0
  Ti  Ti10  1  0.004  0.008  0.663  1.0
  Ti  Ti11  1  0.996  0.992  0.337  1.0
  Ti  Ti12  1  0.179  0.358  0.542  1.0
  Ti  Ti13  1  0.821  0.642  0.458  1.0
  P  P14  1  0.179  0.357  0.110  1.0
  P  P15  1  0.821  0.643  0.890  1.0
  P  P16  1  0.373  0.746  0.604  1.0
  P  P17  1  0.627  0.254  0.396  1.0
  P  P18  1  0.370  0.739  0.343  1.0
  P  P19  1  0.630  0.261  0.657  1.0
  P  P20  1  0.062  0.123  0.850  1.0
  P  P21  1  0.938  0.877  0.150  1.0
[/CIF]
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The crystal structure described by Ti7P4 crystallizes in the monoclinic C2/m space group. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted square co-planar geometry to two equivalent P(1) and two equivalent P(4) atoms. In the second Ti site, Ti(2) is bonded in a distorted square co-planar geometry to two equivalent P(2) and two equivalent P(3) atoms. In the third Ti site, Ti(3) is bonded in a 4-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(4) atoms. In the fourth Ti site, Ti(4) is bonded in a 4-coordinate geometry to one P(1), one P(3), and two equivalent P(2) atoms. In the fifth Ti site, Ti(5) is bonded to one P(4), two equivalent P(1), and two equivalent P(3) atoms to form a mixture of distorted corner, face, and edge-sharing TiP5 trigonal bipyramids. In the sixth Ti site, Ti(6) is bonded in a 5-coordinate geometry to two equivalent P(4) and three equivalent P(1) atoms. In the seventh Ti site, Ti(7) is bonded to one P(4), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner, face, and edge-sharing TiP5 trigonal bipyramids. In the eighth Ti site, Ti(8) is bonded in a 5-coordinate geometry to two equivalent P(3) and three equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(3) is bonded in a 8-coordinate geometry to one Ti(2), one Ti(4), two equivalent Ti(5), two equivalent Ti(7), and two equivalent Ti(8) atoms. In the second P site, P(4) is bonded to one Ti(1), one Ti(5), one Ti(7), two equivalent Ti(3), and two equivalent Ti(6) atoms to form a mixture of distorted corner and edge-sharing PTi7 pentagonal bipyramids. In the third P site, P(1) is bonded in a 9-coordinate geometry to one Ti(1), one Ti(4), two equivalent Ti(3), two equivalent Ti(5), and three equivalent Ti(6) atoms. In the fourth P site, P(2) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(4), two equivalent Ti(7), and three equivalent Ti(8) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti7P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.398
_cell_length_b   7.499
_cell_length_c   13.620
_cell_angle_alpha   104.429
_cell_angle_beta   89.993
_cell_angle_gamma   103.103
_symmetry_Int_Tables_number   1
_cell_volume   326.801
_cell_formula_units_Z   2
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  1.000  1.000  1.000  1.0
  Ti  Ti1  1  0.500  1.000  0.500  1.0
  Ti  Ti2  1  0.429  0.858  0.830  1.0
  Ti  Ti3  1  0.571  0.142  0.170  1.0
  Ti  Ti4  1  0.196  0.393  0.308  1.0
  Ti  Ti5  1  0.804  0.607  0.692  1.0
  Ti  Ti6  1  0.205  0.410  0.794  1.0
  Ti  Ti7  1  0.795  0.590  0.206  1.0
  Ti  Ti8  1  0.340  0.679  0.031  1.0
  Ti  Ti9  1  0.660  0.321  0.968  1.0
  Ti  Ti10  1  0.004  0.008  0.663  1.0
  Ti  Ti11  1  0.996  0.992  0.337  1.0
  Ti  Ti12  1  0.179  0.358  0.542  1.0
  Ti  Ti13  1  0.821  0.642  0.458  1.0
  P  P14  1  0.179  0.357  0.110  1.0
  P  P15  1  0.821  0.643  0.890  1.0
  P  P16  1  0.373  0.746  0.604  1.0
  P  P17  1  0.627  0.254  0.396  1.0
  P  P18  1  0.370  0.739  0.343  1.0
  P  P19  1  0.630  0.261  0.657  1.0
  P  P20  1  0.062  0.123  0.850  1.0
  P  P21  1  0.938  0.877  0.150  1.0
[/CIF]
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