The crystal structure described by BaMnSi2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 10-coordinate geometry to one Mn(1), four equivalent Si(1), and five equivalent Si(2) atoms. Mn(1) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Mn(1) atoms. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to five equivalent Ba(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_BaMnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.418
_cell_length_b   6.830
_cell_length_c   13.237
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   399.434
_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
  Ba  Ba0  1  0.750  0.767  0.098  1.0
  Ba  Ba1  1  0.250  0.733  0.598  1.0
  Ba  Ba2  1  0.250  0.233  0.902  1.0
  Ba  Ba3  1  0.750  0.267  0.402  1.0
  Mn  Mn4  1  0.250  0.778  0.349  1.0
  Mn  Mn5  1  0.750  0.222  0.651  1.0
  Mn  Mn6  1  0.250  0.278  0.151  1.0
  Mn  Mn7  1  0.750  0.722  0.849  1.0
  Si  Si8  1  0.250  0.028  0.249  1.0
  Si  Si9  1  0.750  0.775  0.371  1.0
  Si  Si10  1  0.250  0.225  0.629  1.0
  Si  Si11  1  0.750  0.472  0.749  1.0
  Si  Si12  1  0.250  0.725  0.871  1.0
  Si  Si13  1  0.250  0.528  0.251  1.0
  Si  Si14  1  0.750  0.972  0.751  1.0
  Si  Si15  1  0.750  0.275  0.129  1.0
[/CIF]
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The crystal structure described by BaMnSi2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 10-coordinate geometry to one Mn(1), four equivalent Si(1), and five equivalent Si(2) atoms. Mn(1) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Mn(1) atoms. In the second Si site, Si(2) is bonded in a 2-coordinate geometry to five equivalent Ba(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_BaMnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.418
_cell_length_b   6.830
_cell_length_c   13.237
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   399.434
_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
  Ba  Ba0  1  0.750  0.767  0.098  1.0
  Ba  Ba1  1  0.250  0.733  0.598  1.0
  Ba  Ba2  1  0.250  0.233  0.902  1.0
  Ba  Ba3  1  0.750  0.267  0.402  1.0
  Mn  Mn4  1  0.250  0.778  0.349  1.0
  Mn  Mn5  1  0.750  0.222  0.651  1.0
  Mn  Mn6  1  0.250  0.278  0.151  1.0
  Mn  Mn7  1  0.750  0.722  0.849  1.0
  Si  Si8  1  0.250  0.028  0.249  1.0
  Si  Si9  1  0.750  0.775  0.371  1.0
  Si  Si10  1  0.250  0.225  0.629  1.0
  Si  Si11  1  0.750  0.472  0.749  1.0
  Si  Si12  1  0.250  0.725  0.871  1.0
  Si  Si13  1  0.250  0.528  0.251  1.0
  Si  Si14  1  0.750  0.972  0.751  1.0
  Si  Si15  1  0.750  0.275  0.129  1.0
[/CIF]
.