The structure described by Ba4MnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Ba site, Ba(2) is bonded in a 3-coordinate geometry to one N(4) and two equivalent N(2) atoms. In the third Ba site, Ba(3) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. Mn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(3), two equivalent Ba(4), and one Mn(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Mn(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(4), two equivalent Ba(1), and one Mn(1) atom. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(4), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ba4MnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.468
_cell_length_b   7.416
_cell_length_c   9.424
_cell_angle_alpha   75.039
_cell_angle_beta   93.718
_cell_angle_gamma   83.572
_symmetry_Int_Tables_number   1
_cell_volume   431.897
_cell_formula_units_Z   2
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  0.760  0.521  0.107  1.0
  Ba  Ba1  1  0.240  0.479  0.893  1.0
  Ba  Ba2  1  0.757  0.103  0.909  1.0
  Ba  Ba3  1  0.243  0.897  0.091  1.0
  Ba  Ba4  1  0.766  0.429  0.571  1.0
  Ba  Ba5  1  0.234  0.571  0.429  1.0
  Ba  Ba6  1  0.265  0.972  0.628  1.0
  Ba  Ba7  1  0.735  0.028  0.372  1.0
  Mn  Mn8  1  0.798  0.775  0.739  1.0
  Mn  Mn9  1  0.202  0.225  0.261  1.0
  N  N10  1  0.966  0.699  0.619  1.0
  N  N11  1  0.034  0.301  0.381  1.0
  N  N12  1  0.951  0.772  0.902  1.0
  N  N13  1  0.049  0.228  0.098  1.0
  N  N14  1  0.605  0.626  0.779  1.0
  N  N15  1  0.395  0.374  0.221  1.0
  N  N16  1  0.313  0.991  0.342  1.0
  N  N17  1  0.687  0.009  0.658  1.0
[/CIF]
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The structure described by Ba4MnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Ba site, Ba(2) is bonded in a 3-coordinate geometry to one N(4) and two equivalent N(2) atoms. In the third Ba site, Ba(3) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. Mn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(3), two equivalent Ba(4), and one Mn(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Mn(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to one Ba(3), one Ba(4), two equivalent Ba(1), and one Mn(1) atom. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(4), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ba4MnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.468
_cell_length_b   7.416
_cell_length_c   9.424
_cell_angle_alpha   75.039
_cell_angle_beta   93.718
_cell_angle_gamma   83.572
_symmetry_Int_Tables_number   1
_cell_volume   431.897
_cell_formula_units_Z   2
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  0.760  0.521  0.107  1.0
  Ba  Ba1  1  0.240  0.479  0.893  1.0
  Ba  Ba2  1  0.757  0.103  0.909  1.0
  Ba  Ba3  1  0.243  0.897  0.091  1.0
  Ba  Ba4  1  0.766  0.429  0.571  1.0
  Ba  Ba5  1  0.234  0.571  0.429  1.0
  Ba  Ba6  1  0.265  0.972  0.628  1.0
  Ba  Ba7  1  0.735  0.028  0.372  1.0
  Mn  Mn8  1  0.798  0.775  0.739  1.0
  Mn  Mn9  1  0.202  0.225  0.261  1.0
  N  N10  1  0.966  0.699  0.619  1.0
  N  N11  1  0.034  0.301  0.381  1.0
  N  N12  1  0.951  0.772  0.902  1.0
  N  N13  1  0.049  0.228  0.098  1.0
  N  N14  1  0.605  0.626  0.779  1.0
  N  N15  1  0.395  0.374  0.221  1.0
  N  N16  1  0.313  0.991  0.342  1.0
  N  N17  1  0.687  0.009  0.658  1.0
[/CIF]
.