The structure described by GdMnB4 crystallizes in the orthorhombic Pbam space group. Gd(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(4), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), one B(4), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), one B(3), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), four equivalent Mn(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), one B(1), one B(3), and one B(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdMnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.425
_cell_length_b   5.977
_cell_length_c   11.577
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.987
_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
  Gd  Gd0  1  0.000  0.874  0.849  1.0
  Gd  Gd1  1  0.000  0.374  0.651  1.0
  Gd  Gd2  1  0.000  0.126  0.151  1.0
  Gd  Gd3  1  0.000  0.626  0.349  1.0
  Mn  Mn4  1  0.000  0.368  0.914  1.0
  Mn  Mn5  1  0.000  0.632  0.086  1.0
  Mn  Mn6  1  0.000  0.132  0.414  1.0
  Mn  Mn7  1  0.000  0.868  0.586  1.0
  B  B8  1  0.500  0.718  0.684  1.0
  B  B9  1  0.500  0.523  0.810  1.0
  B  B10  1  0.500  0.782  0.184  1.0
  B  B11  1  0.500  0.612  0.954  1.0
  B  B12  1  0.500  0.023  0.690  1.0
  B  B13  1  0.500  0.977  0.310  1.0
  B  B14  1  0.500  0.477  0.190  1.0
  B  B15  1  0.500  0.640  0.533  1.0
  B  B16  1  0.500  0.360  0.467  1.0
  B  B17  1  0.500  0.112  0.546  1.0
  B  B18  1  0.500  0.140  0.967  1.0
  B  B19  1  0.500  0.388  0.046  1.0
  B  B20  1  0.500  0.860  0.033  1.0
  B  B21  1  0.500  0.888  0.454  1.0
  B  B22  1  0.500  0.218  0.816  1.0
  B  B23  1  0.500  0.282  0.316  1.0
[/CIF]
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The structure described by GdMnB4 crystallizes in the orthorhombic Pbam space group. Gd(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent B(4), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), one B(4), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), one B(3), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), four equivalent Mn(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), one B(1), one B(3), and one B(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdMnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.425
_cell_length_b   5.977
_cell_length_c   11.577
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.987
_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
  Gd  Gd0  1  0.000  0.874  0.849  1.0
  Gd  Gd1  1  0.000  0.374  0.651  1.0
  Gd  Gd2  1  0.000  0.126  0.151  1.0
  Gd  Gd3  1  0.000  0.626  0.349  1.0
  Mn  Mn4  1  0.000  0.368  0.914  1.0
  Mn  Mn5  1  0.000  0.632  0.086  1.0
  Mn  Mn6  1  0.000  0.132  0.414  1.0
  Mn  Mn7  1  0.000  0.868  0.586  1.0
  B  B8  1  0.500  0.718  0.684  1.0
  B  B9  1  0.500  0.523  0.810  1.0
  B  B10  1  0.500  0.782  0.184  1.0
  B  B11  1  0.500  0.612  0.954  1.0
  B  B12  1  0.500  0.023  0.690  1.0
  B  B13  1  0.500  0.977  0.310  1.0
  B  B14  1  0.500  0.477  0.190  1.0
  B  B15  1  0.500  0.640  0.533  1.0
  B  B16  1  0.500  0.360  0.467  1.0
  B  B17  1  0.500  0.112  0.546  1.0
  B  B18  1  0.500  0.140  0.967  1.0
  B  B19  1  0.500  0.388  0.046  1.0
  B  B20  1  0.500  0.860  0.033  1.0
  B  B21  1  0.500  0.888  0.454  1.0
  B  B22  1  0.500  0.218  0.816  1.0
  B  B23  1  0.500  0.282  0.316  1.0
[/CIF]
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