The structure described by Mn31Si11P crystallizes in the trigonal P3 space group. There are fifteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to one Mn(2), three equivalent Mn(5), three equivalent Mn(7), one Si(5), and three equivalent Si(4) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to one Mn(1), three equivalent Mn(6), three equivalent Mn(8), one Si(6), and three equivalent Si(4) atoms. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to three equivalent Mn(14), one Si(1), one Si(3), one Si(5), and one P(1) atom. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to three equivalent Mn(15), one Si(1), one Si(2), one Si(6), and one Si(7) atom. In the fifth Mn site, Mn(5) is bonded in a 3-coordinate geometry to one Mn(1), one Si(3), and two equivalent Si(4) atoms. In the sixth Mn site, Mn(6) is bonded in a 3-coordinate geometry to one Mn(2), one Si(2), and two equivalent Si(4) atoms. In the seventh Mn site, Mn(7) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(14), one Si(3), one Si(4), one Si(5), and one P(1) atom. In the eighth Mn site, Mn(8) is bonded in a 4-coordinate geometry to one Mn(15), one Mn(2), one Si(2), one Si(4), one Si(6), and one Si(7) atom. In the ninth Mn site, Mn(9) is bonded to three equivalent Mn(14), three equivalent Mn(15), one Si(5), one Si(6), and three equivalent Si(1) atoms to form distorted edge-sharing MnMn6Si5 trigonal bipyramids. In the tenth Mn site, Mn(10) is bonded in a 4-coordinate geometry to three equivalent Si(4) and one P(1) atom. In the eleventh Mn site, Mn(11) is bonded in a 4-coordinate geometry to one Si(7) and three equivalent Si(4) atoms. In the twelfth Mn site, Mn(12) is bonded to three equivalent Mn(15), one Si(2), and three equivalent Si(1) atoms to form distorted MnMn3Si4 tetrahedra that share corners with three equivalent Mn(13)Mn3Si4 tetrahedra and edges with three equivalent Mn(9)Mn6Si5 trigonal bipyramids. In the thirteenth Mn site, Mn(13) is bonded to three equivalent Mn(14), one Si(3), and three equivalent Si(1) atoms to form distorted MnMn3Si4 tetrahedra that share corners with three equivalent Mn(12)Mn3Si4 tetrahedra and edges with three equivalent Mn(9)Mn6Si5 trigonal bipyramids. In the fourteenth Mn site, Mn(14) is bonded in a 12-coordinate geometry to one Mn(13), one Mn(15), one Mn(7), one Mn(9), three equivalent Mn(3), one Si(5), three equivalent Si(1), and one P(1) atom. In the fifteenth Mn site, Mn(15) is bonded in a 12-coordinate geometry to one Mn(12), one Mn(14), one Mn(8), one Mn(9), three equivalent Mn(4), one Si(6), one Si(7), and three equivalent Si(1) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Mn(12), one Mn(13), one Mn(3), one Mn(4), one Mn(9), three equivalent Mn(14), and three equivalent Mn(15) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Mn(12), three equivalent Mn(4), three equivalent Mn(6), and three equivalent Mn(8) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Mn(13), three equivalent Mn(3), three equivalent Mn(5), and three equivalent Mn(7) atoms. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Mn(1), one Mn(10), one Mn(11), one Mn(2), one Mn(7), one Mn(8), two equivalent Mn(5), and two equivalent Mn(6) atoms. In the fifth Si site, Si(5) is bonded in a 11-coordinate geometry to one Mn(1), one Mn(9), three equivalent Mn(14), three equivalent Mn(3), and three equivalent Mn(7) atoms. In the sixth Si site, Si(6) is bonded in a 11-coordinate geometry to one Mn(2), one Mn(9), three equivalent Mn(15), three equivalent Mn(4), and three equivalent Mn(8) atoms. In the seventh Si site, Si(7) is bonded in a 10-coordinate geometry to one Mn(11), three equivalent Mn(15), three equivalent Mn(4), and three equivalent Mn(8) atoms. P(1) is bonded in a 10-coordinate geometry to one Mn(10), three equivalent Mn(14), three equivalent Mn(3), and three equivalent Mn(7) atoms. is represented by the CIF card [CIF]
data_Mn31Si11P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.845
_cell_length_b   6.844
_cell_length_c   12.369
_cell_angle_alpha   89.997
_cell_angle_beta   89.997
_cell_angle_gamma   60.033
_symmetry_Int_Tables_number   1
_cell_volume   501.977
_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
  Mn  Mn0  1  0.000  0.000  0.090  1.0
  Mn  Mn1  1  1.000  1.000  0.914  1.0
  Mn  Mn2  1  0.020  0.648  0.307  1.0
  Mn  Mn3  1  0.331  0.021  0.307  1.0
  Mn  Mn4  1  0.648  0.331  0.307  1.0
  Mn  Mn5  1  0.350  0.974  0.692  1.0
  Mn  Mn6  1  0.677  0.350  0.692  1.0
  Mn  Mn7  1  0.973  0.676  0.692  1.0
  Mn  Mn8  1  0.056  0.604  0.102  1.0
  Mn  Mn9  1  0.339  0.057  0.102  1.0
  Mn  Mn10  1  0.604  0.339  0.102  1.0
  Mn  Mn11  1  0.396  0.946  0.898  1.0
  Mn  Mn12  1  0.657  0.397  0.898  1.0
  Mn  Mn13  1  0.946  0.657  0.898  1.0
  Mn  Mn14  1  0.961  0.333  0.196  1.0
  Mn  Mn15  1  0.706  0.961  0.196  1.0
  Mn  Mn16  1  0.333  0.706  0.196  1.0
  Mn  Mn17  1  0.668  0.039  0.805  1.0
  Mn  Mn18  1  0.293  0.668  0.805  1.0
  Mn  Mn19  1  0.038  0.293  0.805  1.0
  Mn  Mn20  1  0.000  1.000  0.501  1.0
  Mn  Mn21  1  0.667  0.667  0.076  1.0
  Mn  Mn22  1  0.333  0.333  0.927  1.0
  Mn  Mn23  1  0.667  0.666  0.572  1.0
  Mn  Mn24  1  0.334  0.333  0.428  1.0
  Mn  Mn25  1  0.962  0.354  0.398  1.0
  Mn  Mn26  1  0.685  0.962  0.398  1.0
  Mn  Mn27  1  0.353  0.684  0.398  1.0
  Mn  Mn28  1  0.648  0.036  0.602  1.0
  Mn  Mn29  1  0.316  0.648  0.602  1.0
  Mn  Mn30  1  0.037  0.316  0.602  1.0
  Si  Si31  1  0.001  0.647  0.500  1.0
  Si  Si32  1  0.352  0.000  0.500  1.0
  Si  Si33  1  0.648  0.351  0.500  1.0
  Si  Si34  1  0.666  0.667  0.768  1.0
  Si  Si35  1  0.333  0.334  0.232  1.0
  Si  Si36  1  0.996  0.322  0.001  1.0
  Si  Si37  1  0.682  0.996  0.001  1.0
  Si  Si38  1  0.322  0.682  0.001  1.0
  Si  Si39  1  1.000  0.000  0.292  1.0
  Si  Si40  1  1.000  0.000  0.709  1.0
  Si  Si41  1  0.333  0.333  0.723  1.0
  P  P42  1  0.667  0.667  0.269  1.0
[/CIF]
.
The structure described by Mn31Si11P crystallizes in the trigonal P3 space group. There are fifteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to one Mn(2), three equivalent Mn(5), three equivalent Mn(7), one Si(5), and three equivalent Si(4) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to one Mn(1), three equivalent Mn(6), three equivalent Mn(8), one Si(6), and three equivalent Si(4) atoms. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to three equivalent Mn(14), one Si(1), one Si(3), one Si(5), and one P(1) atom. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to three equivalent Mn(15), one Si(1), one Si(2), one Si(6), and one Si(7) atom. In the fifth Mn site, Mn(5) is bonded in a 3-coordinate geometry to one Mn(1), one Si(3), and two equivalent Si(4) atoms. In the sixth Mn site, Mn(6) is bonded in a 3-coordinate geometry to one Mn(2), one Si(2), and two equivalent Si(4) atoms. In the seventh Mn site, Mn(7) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(14), one Si(3), one Si(4), one Si(5), and one P(1) atom. In the eighth Mn site, Mn(8) is bonded in a 4-coordinate geometry to one Mn(15), one Mn(2), one Si(2), one Si(4), one Si(6), and one Si(7) atom. In the ninth Mn site, Mn(9) is bonded to three equivalent Mn(14), three equivalent Mn(15), one Si(5), one Si(6), and three equivalent Si(1) atoms to form distorted edge-sharing MnMn6Si5 trigonal bipyramids. In the tenth Mn site, Mn(10) is bonded in a 4-coordinate geometry to three equivalent Si(4) and one P(1) atom. In the eleventh Mn site, Mn(11) is bonded in a 4-coordinate geometry to one Si(7) and three equivalent Si(4) atoms. In the twelfth Mn site, Mn(12) is bonded to three equivalent Mn(15), one Si(2), and three equivalent Si(1) atoms to form distorted MnMn3Si4 tetrahedra that share corners with three equivalent Mn(13)Mn3Si4 tetrahedra and edges with three equivalent Mn(9)Mn6Si5 trigonal bipyramids. In the thirteenth Mn site, Mn(13) is bonded to three equivalent Mn(14), one Si(3), and three equivalent Si(1) atoms to form distorted MnMn3Si4 tetrahedra that share corners with three equivalent Mn(12)Mn3Si4 tetrahedra and edges with three equivalent Mn(9)Mn6Si5 trigonal bipyramids. In the fourteenth Mn site, Mn(14) is bonded in a 12-coordinate geometry to one Mn(13), one Mn(15), one Mn(7), one Mn(9), three equivalent Mn(3), one Si(5), three equivalent Si(1), and one P(1) atom. In the fifteenth Mn site, Mn(15) is bonded in a 12-coordinate geometry to one Mn(12), one Mn(14), one Mn(8), one Mn(9), three equivalent Mn(4), one Si(6), one Si(7), and three equivalent Si(1) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Mn(12), one Mn(13), one Mn(3), one Mn(4), one Mn(9), three equivalent Mn(14), and three equivalent Mn(15) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Mn(12), three equivalent Mn(4), three equivalent Mn(6), and three equivalent Mn(8) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Mn(13), three equivalent Mn(3), three equivalent Mn(5), and three equivalent Mn(7) atoms. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Mn(1), one Mn(10), one Mn(11), one Mn(2), one Mn(7), one Mn(8), two equivalent Mn(5), and two equivalent Mn(6) atoms. In the fifth Si site, Si(5) is bonded in a 11-coordinate geometry to one Mn(1), one Mn(9), three equivalent Mn(14), three equivalent Mn(3), and three equivalent Mn(7) atoms. In the sixth Si site, Si(6) is bonded in a 11-coordinate geometry to one Mn(2), one Mn(9), three equivalent Mn(15), three equivalent Mn(4), and three equivalent Mn(8) atoms. In the seventh Si site, Si(7) is bonded in a 10-coordinate geometry to one Mn(11), three equivalent Mn(15), three equivalent Mn(4), and three equivalent Mn(8) atoms. P(1) is bonded in a 10-coordinate geometry to one Mn(10), three equivalent Mn(14), three equivalent Mn(3), and three equivalent Mn(7) atoms. is represented by the CIF card [CIF]
data_Mn31Si11P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.845
_cell_length_b   6.844
_cell_length_c   12.369
_cell_angle_alpha   89.997
_cell_angle_beta   89.997
_cell_angle_gamma   60.033
_symmetry_Int_Tables_number   1
_cell_volume   501.977
_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
  Mn  Mn0  1  0.000  0.000  0.090  1.0
  Mn  Mn1  1  1.000  1.000  0.914  1.0
  Mn  Mn2  1  0.020  0.648  0.307  1.0
  Mn  Mn3  1  0.331  0.021  0.307  1.0
  Mn  Mn4  1  0.648  0.331  0.307  1.0
  Mn  Mn5  1  0.350  0.974  0.692  1.0
  Mn  Mn6  1  0.677  0.350  0.692  1.0
  Mn  Mn7  1  0.973  0.676  0.692  1.0
  Mn  Mn8  1  0.056  0.604  0.102  1.0
  Mn  Mn9  1  0.339  0.057  0.102  1.0
  Mn  Mn10  1  0.604  0.339  0.102  1.0
  Mn  Mn11  1  0.396  0.946  0.898  1.0
  Mn  Mn12  1  0.657  0.397  0.898  1.0
  Mn  Mn13  1  0.946  0.657  0.898  1.0
  Mn  Mn14  1  0.961  0.333  0.196  1.0
  Mn  Mn15  1  0.706  0.961  0.196  1.0
  Mn  Mn16  1  0.333  0.706  0.196  1.0
  Mn  Mn17  1  0.668  0.039  0.805  1.0
  Mn  Mn18  1  0.293  0.668  0.805  1.0
  Mn  Mn19  1  0.038  0.293  0.805  1.0
  Mn  Mn20  1  0.000  1.000  0.501  1.0
  Mn  Mn21  1  0.667  0.667  0.076  1.0
  Mn  Mn22  1  0.333  0.333  0.927  1.0
  Mn  Mn23  1  0.667  0.666  0.572  1.0
  Mn  Mn24  1  0.334  0.333  0.428  1.0
  Mn  Mn25  1  0.962  0.354  0.398  1.0
  Mn  Mn26  1  0.685  0.962  0.398  1.0
  Mn  Mn27  1  0.353  0.684  0.398  1.0
  Mn  Mn28  1  0.648  0.036  0.602  1.0
  Mn  Mn29  1  0.316  0.648  0.602  1.0
  Mn  Mn30  1  0.037  0.316  0.602  1.0
  Si  Si31  1  0.001  0.647  0.500  1.0
  Si  Si32  1  0.352  0.000  0.500  1.0
  Si  Si33  1  0.648  0.351  0.500  1.0
  Si  Si34  1  0.666  0.667  0.768  1.0
  Si  Si35  1  0.333  0.334  0.232  1.0
  Si  Si36  1  0.996  0.322  0.001  1.0
  Si  Si37  1  0.682  0.996  0.001  1.0
  Si  Si38  1  0.322  0.682  0.001  1.0
  Si  Si39  1  1.000  0.000  0.292  1.0
  Si  Si40  1  1.000  0.000  0.709  1.0
  Si  Si41  1  0.333  0.333  0.723  1.0
  P  P42  1  0.667  0.667  0.269  1.0
[/CIF]
.