The structure described by Mn5B2P crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent B(1) and two equivalent P(1) atoms to form a mixture of distorted corner, edge, and face-sharing MnB3P2 trigonal bipyramids. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to four equivalent B(1) and two equivalent P(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Mn(2), six equivalent Mn(1), and one B(1) atom. P(1) is bonded in a 10-coordinate geometry to two equivalent Mn(2) and eight equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn5B2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.494
_cell_length_b   6.494
_cell_length_c   6.493
_cell_angle_alpha   129.513
_cell_angle_beta   129.513
_cell_angle_gamma   74.201
_symmetry_Int_Tables_number   1
_cell_volume   158.876
_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
  Mn  Mn0  1  0.191  0.691  0.160  1.0
  Mn  Mn1  1  0.469  0.969  0.160  1.0
  Mn  Mn2  1  0.000  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  Mn  Mn4  1  0.531  0.031  0.840  1.0
  Mn  Mn5  1  0.031  0.191  0.500  1.0
  Mn  Mn6  1  0.691  0.531  0.500  1.0
  Mn  Mn7  1  0.969  0.809  0.500  1.0
  Mn  Mn8  1  0.309  0.469  0.500  1.0
  Mn  Mn9  1  0.809  0.309  0.840  1.0
  B  B10  1  0.882  0.382  0.264  1.0
  B  B11  1  0.382  0.118  0.500  1.0
  B  B12  1  0.618  0.882  0.500  1.0
  B  B13  1  0.118  0.618  0.736  1.0
  P  P14  1  0.750  0.750  0.000  1.0
  P  P15  1  0.250  0.250  0.000  1.0
[/CIF]
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The structure described by Mn5B2P crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent B(1) and two equivalent P(1) atoms to form a mixture of distorted corner, edge, and face-sharing MnB3P2 trigonal bipyramids. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to four equivalent B(1) and two equivalent P(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Mn(2), six equivalent Mn(1), and one B(1) atom. P(1) is bonded in a 10-coordinate geometry to two equivalent Mn(2) and eight equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn5B2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.494
_cell_length_b   6.494
_cell_length_c   6.493
_cell_angle_alpha   129.513
_cell_angle_beta   129.513
_cell_angle_gamma   74.201
_symmetry_Int_Tables_number   1
_cell_volume   158.876
_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
  Mn  Mn0  1  0.191  0.691  0.160  1.0
  Mn  Mn1  1  0.469  0.969  0.160  1.0
  Mn  Mn2  1  0.000  0.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  Mn  Mn4  1  0.531  0.031  0.840  1.0
  Mn  Mn5  1  0.031  0.191  0.500  1.0
  Mn  Mn6  1  0.691  0.531  0.500  1.0
  Mn  Mn7  1  0.969  0.809  0.500  1.0
  Mn  Mn8  1  0.309  0.469  0.500  1.0
  Mn  Mn9  1  0.809  0.309  0.840  1.0
  B  B10  1  0.882  0.382  0.264  1.0
  B  B11  1  0.382  0.118  0.500  1.0
  B  B12  1  0.618  0.882  0.500  1.0
  B  B13  1  0.118  0.618  0.736  1.0
  P  P14  1  0.750  0.750  0.000  1.0
  P  P15  1  0.250  0.250  0.000  1.0
[/CIF]
.