The crystal structure described by MnB4 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in a 12-coordinate geometry to three equivalent B(1), three equivalent B(2), three equivalent B(3), and three equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to three equivalent Mn(1), two equivalent B(3), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to three equivalent Mn(1), two equivalent B(3), and two equivalent B(4) atoms. In the third B site, B(3) is bonded in a 8-coordinate geometry to three equivalent Mn(1), one B(4), two equivalent B(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to three equivalent Mn(1), one B(3), two equivalent B(1), and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   5.422
_cell_length_c   5.455
_cell_angle_alpha   114.817
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.989
_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  0.499  0.729  0.222  1.0
  Mn  Mn1  1  0.999  0.271  0.278  1.0
  Mn  Mn2  1  0.501  0.271  0.778  1.0
  Mn  Mn3  1  0.001  0.729  0.722  1.0
  B  B4  1  0.681  0.129  0.374  1.0
  B  B5  1  0.181  0.871  0.126  1.0
  B  B6  1  0.319  0.871  0.626  1.0
  B  B7  1  0.819  0.129  0.874  1.0
  B  B8  1  0.687  0.635  0.862  1.0
  B  B9  1  0.187  0.365  0.638  1.0
  B  B10  1  0.313  0.365  0.138  1.0
  B  B11  1  0.813  0.635  0.362  1.0
  B  B12  1  0.630  0.329  0.176  1.0
  B  B13  1  0.130  0.671  0.324  1.0
  B  B14  1  0.370  0.671  0.824  1.0
  B  B15  1  0.870  0.329  0.676  1.0
  B  B16  1  0.629  0.837  0.658  1.0
  B  B17  1  0.129  0.163  0.842  1.0
  B  B18  1  0.371  0.163  0.342  1.0
  B  B19  1  0.871  0.837  0.158  1.0
[/CIF]
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The crystal structure described by MnB4 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in a 12-coordinate geometry to three equivalent B(1), three equivalent B(2), three equivalent B(3), and three equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to three equivalent Mn(1), two equivalent B(3), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to three equivalent Mn(1), two equivalent B(3), and two equivalent B(4) atoms. In the third B site, B(3) is bonded in a 8-coordinate geometry to three equivalent Mn(1), one B(4), two equivalent B(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to three equivalent Mn(1), one B(3), two equivalent B(1), and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   5.422
_cell_length_c   5.455
_cell_angle_alpha   114.817
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.989
_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  0.499  0.729  0.222  1.0
  Mn  Mn1  1  0.999  0.271  0.278  1.0
  Mn  Mn2  1  0.501  0.271  0.778  1.0
  Mn  Mn3  1  0.001  0.729  0.722  1.0
  B  B4  1  0.681  0.129  0.374  1.0
  B  B5  1  0.181  0.871  0.126  1.0
  B  B6  1  0.319  0.871  0.626  1.0
  B  B7  1  0.819  0.129  0.874  1.0
  B  B8  1  0.687  0.635  0.862  1.0
  B  B9  1  0.187  0.365  0.638  1.0
  B  B10  1  0.313  0.365  0.138  1.0
  B  B11  1  0.813  0.635  0.362  1.0
  B  B12  1  0.630  0.329  0.176  1.0
  B  B13  1  0.130  0.671  0.324  1.0
  B  B14  1  0.370  0.671  0.824  1.0
  B  B15  1  0.870  0.329  0.676  1.0
  B  B16  1  0.629  0.837  0.658  1.0
  B  B17  1  0.129  0.163  0.842  1.0
  B  B18  1  0.371  0.163  0.342  1.0
  B  B19  1  0.871  0.837  0.158  1.0
[/CIF]
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