The compound described by Mn4Si7 crystallizes in the orthorhombic Pcc2 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(3), two equivalent Si(4), two equivalent Si(5), and two equivalent Si(6) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Si(2), two equivalent Si(3), two equivalent Si(5), and two equivalent Si(6) atoms. In the third Mn site, Mn(3) is bonded in a 8-coordinate geometry to two equivalent Si(1), two equivalent Si(2), two equivalent Si(4), and two equivalent Si(6) atoms. In the fourth Mn site, Mn(4) is bonded in a 8-coordinate geometry to two equivalent Si(1), two equivalent Si(2), two equivalent Si(4), and two equivalent Si(7) atoms. In the fifth Mn site, Mn(5) is bonded in a 8-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(5), and two equivalent Si(7) atoms. In the sixth Mn site, Mn(6) is bonded in a 8-coordinate geometry to two equivalent Si(3), two equivalent Si(5), two equivalent Si(6), and two equivalent Si(7) atoms. In the seventh Mn site, Mn(7) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(2), two equivalent Si(4), two equivalent Si(5), and two equivalent Si(6) atoms. In the eighth Mn site, Mn(8) is bonded in a 8-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(7) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), one Mn(7), and one Mn(8) atom. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), one Mn(4), and one Mn(7) atom. In the third Si site, Si(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(5), one Mn(6), and one Mn(8) atom. In the fourth Si site, Si(4) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom. In the fifth Si site, Si(5) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(5), one Mn(6), and one Mn(7) atom. In the sixth Si site, Si(6) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), one Mn(6), and one Mn(7) atom. In the seventh Si site, Si(7) is bonded in a 4-coordinate geometry to one Mn(4), one Mn(5), one Mn(6), and one Mn(8) atom. is represented by the CIF file [CIF]
data_Mn4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.433
_cell_length_b   5.433
_cell_length_c   17.123
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   505.381
_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  0.000  0.500  0.311  1.0
  Mn  Mn1  1  0.500  0.500  0.870  1.0
  Mn  Mn2  1  0.500  0.000  0.192  1.0
  Mn  Mn3  1  0.500  0.500  0.629  1.0
  Mn  Mn4  1  0.500  0.500  0.129  1.0
  Mn  Mn5  1  0.500  0.500  0.370  1.0
  Mn  Mn6  1  0.000  0.000  0.499  1.0
  Mn  Mn7  1  0.500  0.000  0.934  1.0
  Mn  Mn8  1  0.000  0.000  0.252  1.0
  Mn  Mn9  1  0.500  0.000  0.434  1.0
  Mn  Mn10  1  0.000  0.500  0.564  1.0
  Mn  Mn11  1  0.000  0.000  0.999  1.0
  Mn  Mn12  1  0.500  0.000  0.692  1.0
  Mn  Mn13  1  0.000  0.500  0.064  1.0
  Mn  Mn14  1  0.000  0.500  0.811  1.0
  Mn  Mn15  1  0.000  0.000  0.752  1.0
  Si  Si16  1  0.789  0.847  0.108  1.0
  Si  Si17  1  0.327  0.663  0.748  1.0
  Si  Si18  1  0.210  0.346  0.954  1.0
  Si  Si19  1  0.211  0.153  0.108  1.0
  Si  Si20  1  0.158  0.313  0.679  1.0
  Si  Si21  1  0.211  0.847  0.608  1.0
  Si  Si22  1  0.158  0.814  0.883  1.0
  Si  Si23  1  0.672  0.163  0.315  1.0
  Si  Si24  1  0.842  0.687  0.679  1.0
  Si  Si25  1  0.158  0.187  0.383  1.0
  Si  Si26  1  0.673  0.663  0.248  1.0
  Si  Si27  1  0.158  0.688  0.179  1.0
  Si  Si28  1  0.790  0.654  0.954  1.0
  Si  Si29  1  0.328  0.837  0.315  1.0
  Si  Si30  1  0.789  0.153  0.608  1.0
  Si  Si31  1  0.347  0.749  0.031  1.0
  Si  Si32  1  0.328  0.163  0.815  1.0
  Si  Si33  1  0.327  0.337  0.248  1.0
  Si  Si34  1  0.672  0.837  0.815  1.0
  Si  Si35  1  0.653  0.251  0.031  1.0
  Si  Si36  1  0.210  0.653  0.454  1.0
  Si  Si37  1  0.790  0.347  0.454  1.0
  Si  Si38  1  0.842  0.813  0.383  1.0
  Si  Si39  1  0.653  0.749  0.531  1.0
  Si  Si40  1  0.347  0.251  0.531  1.0
  Si  Si41  1  0.673  0.337  0.748  1.0
  Si  Si42  1  0.842  0.312  0.179  1.0
  Si  Si43  1  0.842  0.186  0.883  1.0
[/CIF]
.
The compound described by Mn4Si7 crystallizes in the orthorhombic Pcc2 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(3), two equivalent Si(4), two equivalent Si(5), and two equivalent Si(6) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Si(2), two equivalent Si(3), two equivalent Si(5), and two equivalent Si(6) atoms. In the third Mn site, Mn(3) is bonded in a 8-coordinate geometry to two equivalent Si(1), two equivalent Si(2), two equivalent Si(4), and two equivalent Si(6) atoms. In the fourth Mn site, Mn(4) is bonded in a 8-coordinate geometry to two equivalent Si(1), two equivalent Si(2), two equivalent Si(4), and two equivalent Si(7) atoms. In the fifth Mn site, Mn(5) is bonded in a 8-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(5), and two equivalent Si(7) atoms. In the sixth Mn site, Mn(6) is bonded in a 8-coordinate geometry to two equivalent Si(3), two equivalent Si(5), two equivalent Si(6), and two equivalent Si(7) atoms. In the seventh Mn site, Mn(7) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(2), two equivalent Si(4), two equivalent Si(5), and two equivalent Si(6) atoms. In the eighth Mn site, Mn(8) is bonded in a 8-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(7) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), one Mn(7), and one Mn(8) atom. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), one Mn(4), and one Mn(7) atom. In the third Si site, Si(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(5), one Mn(6), and one Mn(8) atom. In the fourth Si site, Si(4) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(7), and one Mn(8) atom. In the fifth Si site, Si(5) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(5), one Mn(6), and one Mn(7) atom. In the sixth Si site, Si(6) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), one Mn(6), and one Mn(7) atom. In the seventh Si site, Si(7) is bonded in a 4-coordinate geometry to one Mn(4), one Mn(5), one Mn(6), and one Mn(8) atom. is represented by the CIF file [CIF]
data_Mn4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.433
_cell_length_b   5.433
_cell_length_c   17.123
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   505.381
_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  0.000  0.500  0.311  1.0
  Mn  Mn1  1  0.500  0.500  0.870  1.0
  Mn  Mn2  1  0.500  0.000  0.192  1.0
  Mn  Mn3  1  0.500  0.500  0.629  1.0
  Mn  Mn4  1  0.500  0.500  0.129  1.0
  Mn  Mn5  1  0.500  0.500  0.370  1.0
  Mn  Mn6  1  0.000  0.000  0.499  1.0
  Mn  Mn7  1  0.500  0.000  0.934  1.0
  Mn  Mn8  1  0.000  0.000  0.252  1.0
  Mn  Mn9  1  0.500  0.000  0.434  1.0
  Mn  Mn10  1  0.000  0.500  0.564  1.0
  Mn  Mn11  1  0.000  0.000  0.999  1.0
  Mn  Mn12  1  0.500  0.000  0.692  1.0
  Mn  Mn13  1  0.000  0.500  0.064  1.0
  Mn  Mn14  1  0.000  0.500  0.811  1.0
  Mn  Mn15  1  0.000  0.000  0.752  1.0
  Si  Si16  1  0.789  0.847  0.108  1.0
  Si  Si17  1  0.327  0.663  0.748  1.0
  Si  Si18  1  0.210  0.346  0.954  1.0
  Si  Si19  1  0.211  0.153  0.108  1.0
  Si  Si20  1  0.158  0.313  0.679  1.0
  Si  Si21  1  0.211  0.847  0.608  1.0
  Si  Si22  1  0.158  0.814  0.883  1.0
  Si  Si23  1  0.672  0.163  0.315  1.0
  Si  Si24  1  0.842  0.687  0.679  1.0
  Si  Si25  1  0.158  0.187  0.383  1.0
  Si  Si26  1  0.673  0.663  0.248  1.0
  Si  Si27  1  0.158  0.688  0.179  1.0
  Si  Si28  1  0.790  0.654  0.954  1.0
  Si  Si29  1  0.328  0.837  0.315  1.0
  Si  Si30  1  0.789  0.153  0.608  1.0
  Si  Si31  1  0.347  0.749  0.031  1.0
  Si  Si32  1  0.328  0.163  0.815  1.0
  Si  Si33  1  0.327  0.337  0.248  1.0
  Si  Si34  1  0.672  0.837  0.815  1.0
  Si  Si35  1  0.653  0.251  0.031  1.0
  Si  Si36  1  0.210  0.653  0.454  1.0
  Si  Si37  1  0.790  0.347  0.454  1.0
  Si  Si38  1  0.842  0.813  0.383  1.0
  Si  Si39  1  0.653  0.749  0.531  1.0
  Si  Si40  1  0.347  0.251  0.531  1.0
  Si  Si41  1  0.673  0.337  0.748  1.0
  Si  Si42  1  0.842  0.312  0.179  1.0
  Si  Si43  1  0.842  0.186  0.883  1.0
[/CIF]
.