The crystal structure described by MnP4 is Sylvanite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form edge-sharing MnP6 octahedra. In the second Mn site, Mn(2) is bonded to one P(2), one P(4), one P(5), one P(6), and two equivalent P(1) atoms to form a mixture of edge and corner-sharing MnP6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to two equivalent Mn(2), one P(3), and one P(6) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one P(4), and one P(5) atom. In the third P site, P(3) is bonded in a distorted single-bond geometry to one Mn(1), one P(1), one P(5), and one P(6) atom. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one P(2), and one P(6) atom. In the fifth P site, P(5) is bonded in a distorted single-bond geometry to one Mn(2), one P(2), one P(3), and one P(5) atom. In the sixth P site, P(6) is bonded in a distorted single-bond geometry to one Mn(2), one P(1), one P(3), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.683
_cell_length_b   4.762
_cell_length_c   7.032
_cell_angle_alpha   77.941
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.117
_cell_formula_units_Z   6
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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.666  0.868  0.869  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.834  0.868  0.369  1.0
  Mn  Mn4  1  0.166  0.132  0.631  1.0
  Mn  Mn5  1  0.334  0.132  0.131  1.0
  P  P6  1  0.275  0.922  0.873  1.0
  P  P7  1  0.225  0.922  0.373  1.0
  P  P8  1  0.052  0.790  0.750  1.0
  P  P9  1  0.386  0.735  0.701  1.0
  P  P10  1  0.448  0.790  0.250  1.0
  P  P11  1  0.609  0.643  0.640  1.0
  P  P12  1  0.944  0.628  0.567  1.0
  P  P13  1  0.779  0.509  0.958  1.0
  P  P14  1  0.114  0.735  0.201  1.0
  P  P15  1  0.891  0.643  0.140  1.0
  P  P16  1  0.279  0.491  0.542  1.0
  P  P17  1  0.556  0.628  0.067  1.0
  P  P18  1  0.444  0.372  0.933  1.0
  P  P19  1  0.721  0.509  0.458  1.0
  P  P20  1  0.109  0.357  0.860  1.0
  P  P21  1  0.886  0.265  0.799  1.0
  P  P22  1  0.221  0.491  0.042  1.0
  P  P23  1  0.056  0.372  0.433  1.0
  P  P24  1  0.391  0.357  0.360  1.0
  P  P25  1  0.552  0.210  0.750  1.0
  P  P26  1  0.614  0.265  0.299  1.0
  P  P27  1  0.948  0.210  0.250  1.0
  P  P28  1  0.775  0.078  0.627  1.0
  P  P29  1  0.725  0.078  0.127  1.0
[/CIF]
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The crystal structure described by MnP4 is Sylvanite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form edge-sharing MnP6 octahedra. In the second Mn site, Mn(2) is bonded to one P(2), one P(4), one P(5), one P(6), and two equivalent P(1) atoms to form a mixture of edge and corner-sharing MnP6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to two equivalent Mn(2), one P(3), and one P(6) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one P(4), and one P(5) atom. In the third P site, P(3) is bonded in a distorted single-bond geometry to one Mn(1), one P(1), one P(5), and one P(6) atom. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one P(2), and one P(6) atom. In the fifth P site, P(5) is bonded in a distorted single-bond geometry to one Mn(2), one P(2), one P(3), and one P(5) atom. In the sixth P site, P(6) is bonded in a distorted single-bond geometry to one Mn(2), one P(1), one P(3), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.683
_cell_length_b   4.762
_cell_length_c   7.032
_cell_angle_alpha   77.941
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.117
_cell_formula_units_Z   6
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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.666  0.868  0.869  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.834  0.868  0.369  1.0
  Mn  Mn4  1  0.166  0.132  0.631  1.0
  Mn  Mn5  1  0.334  0.132  0.131  1.0
  P  P6  1  0.275  0.922  0.873  1.0
  P  P7  1  0.225  0.922  0.373  1.0
  P  P8  1  0.052  0.790  0.750  1.0
  P  P9  1  0.386  0.735  0.701  1.0
  P  P10  1  0.448  0.790  0.250  1.0
  P  P11  1  0.609  0.643  0.640  1.0
  P  P12  1  0.944  0.628  0.567  1.0
  P  P13  1  0.779  0.509  0.958  1.0
  P  P14  1  0.114  0.735  0.201  1.0
  P  P15  1  0.891  0.643  0.140  1.0
  P  P16  1  0.279  0.491  0.542  1.0
  P  P17  1  0.556  0.628  0.067  1.0
  P  P18  1  0.444  0.372  0.933  1.0
  P  P19  1  0.721  0.509  0.458  1.0
  P  P20  1  0.109  0.357  0.860  1.0
  P  P21  1  0.886  0.265  0.799  1.0
  P  P22  1  0.221  0.491  0.042  1.0
  P  P23  1  0.056  0.372  0.433  1.0
  P  P24  1  0.391  0.357  0.360  1.0
  P  P25  1  0.552  0.210  0.750  1.0
  P  P26  1  0.614  0.265  0.299  1.0
  P  P27  1  0.948  0.210  0.250  1.0
  P  P28  1  0.775  0.078  0.627  1.0
  P  P29  1  0.725  0.078  0.127  1.0
[/CIF]
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