The material described by Mn3P crystallizes in the tetragonal I-4 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent P(1) atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. In the second Mn site, Mn(3) is bonded in a distorted water-like geometry to two equivalent P(1) atoms. In the third Mn site, Mn(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to two equivalent Mn(3), three equivalent Mn(2), and four equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.659
_cell_length_b   7.065
_cell_length_c   7.065
_cell_angle_alpha   83.773
_cell_angle_beta   70.753
_cell_angle_gamma   70.747
_symmetry_Int_Tables_number   1
_cell_volume   207.272
_cell_formula_units_Z   4
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  0.342  0.669  0.607  1.0
  Mn  Mn1  1  0.051  0.607  0.331  1.0
  Mn  Mn2  1  0.989  0.393  0.669  1.0
  Mn  Mn3  1  0.618  0.331  0.393  1.0
  Mn  Mn4  1  0.926  0.042  0.605  1.0
  Mn  Mn5  1  0.469  0.605  0.958  1.0
  Mn  Mn6  1  0.032  0.395  0.042  1.0
  Mn  Mn7  1  0.573  0.958  0.395  1.0
  Mn  Mn8  1  0.157  0.968  0.192  1.0
  Mn  Mn9  1  0.651  0.192  0.032  1.0
  Mn  Mn10  1  0.875  0.808  0.968  1.0
  Mn  Mn11  1  0.317  0.032  0.808  1.0
  P  P12  1  0.184  0.247  0.337  1.0
  P  P13  1  0.479  0.337  0.753  1.0
  P  P14  1  0.569  0.663  0.247  1.0
  P  P15  1  0.768  0.753  0.663  1.0
[/CIF]
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The material described by Mn3P crystallizes in the tetragonal I-4 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent P(1) atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. In the second Mn site, Mn(3) is bonded in a distorted water-like geometry to two equivalent P(1) atoms. In the third Mn site, Mn(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to two equivalent Mn(3), three equivalent Mn(2), and four equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.659
_cell_length_b   7.065
_cell_length_c   7.065
_cell_angle_alpha   83.773
_cell_angle_beta   70.753
_cell_angle_gamma   70.747
_symmetry_Int_Tables_number   1
_cell_volume   207.272
_cell_formula_units_Z   4
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  0.342  0.669  0.607  1.0
  Mn  Mn1  1  0.051  0.607  0.331  1.0
  Mn  Mn2  1  0.989  0.393  0.669  1.0
  Mn  Mn3  1  0.618  0.331  0.393  1.0
  Mn  Mn4  1  0.926  0.042  0.605  1.0
  Mn  Mn5  1  0.469  0.605  0.958  1.0
  Mn  Mn6  1  0.032  0.395  0.042  1.0
  Mn  Mn7  1  0.573  0.958  0.395  1.0
  Mn  Mn8  1  0.157  0.968  0.192  1.0
  Mn  Mn9  1  0.651  0.192  0.032  1.0
  Mn  Mn10  1  0.875  0.808  0.968  1.0
  Mn  Mn11  1  0.317  0.032  0.808  1.0
  P  P12  1  0.184  0.247  0.337  1.0
  P  P13  1  0.479  0.337  0.753  1.0
  P  P14  1  0.569  0.663  0.247  1.0
  P  P15  1  0.768  0.753  0.663  1.0
[/CIF]
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