The material structure described by GdMoB4 crystallizes in the orthorhombic Pbam space group. Gd(1) is bonded in a 18-coordinate geometry to four equivalent Mo(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Mo(1) is bonded in a 15-coordinate geometry to four equivalent Gd(1), one Mo(1), 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 Mo(1), one B(2), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mo(1), one B(1), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), four equivalent Mo(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 Mo(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_GdB4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.069
_cell_length_b   11.736
_cell_length_c   3.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.400
_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  0.626  0.350  0.000  1.0
  Gd  Gd1  1  0.374  0.650  0.000  1.0
  Gd  Gd2  1  0.126  0.150  0.000  1.0
  Gd  Gd3  1  0.874  0.850  0.000  1.0
  B  B4  1  0.785  0.186  0.500  1.0
  B  B5  1  0.215  0.814  0.500  1.0
  B  B6  1  0.285  0.314  0.500  1.0
  B  B7  1  0.715  0.686  0.500  1.0
  B  B8  1  0.866  0.032  0.500  1.0
  B  B9  1  0.134  0.968  0.500  1.0
  B  B10  1  0.366  0.468  0.500  1.0
  B  B11  1  0.634  0.532  0.500  1.0
  B  B12  1  0.886  0.453  0.500  1.0
  B  B13  1  0.114  0.547  0.500  1.0
  B  B14  1  0.386  0.047  0.500  1.0
  B  B15  1  0.614  0.953  0.500  1.0
  B  B16  1  0.976  0.307  0.500  1.0
  B  B17  1  0.024  0.693  0.500  1.0
  B  B18  1  0.476  0.193  0.500  1.0
  B  B19  1  0.524  0.807  0.500  1.0
  Mo  Mo20  1  0.629  0.083  0.000  1.0
  Mo  Mo21  1  0.371  0.917  0.000  1.0
  Mo  Mo22  1  0.129  0.417  0.000  1.0
  Mo  Mo23  1  0.871  0.583  0.000  1.0
[/CIF]
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The material structure described by GdMoB4 crystallizes in the orthorhombic Pbam space group. Gd(1) is bonded in a 18-coordinate geometry to four equivalent Mo(1), two equivalent B(3), four equivalent B(1), four equivalent B(2), and four equivalent B(4) atoms. Mo(1) is bonded in a 15-coordinate geometry to four equivalent Gd(1), one Mo(1), 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 Mo(1), one B(2), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Gd(1), two equivalent Mo(1), one B(1), one B(2), and one B(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), four equivalent Mo(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 Mo(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_GdB4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.069
_cell_length_b   11.736
_cell_length_c   3.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.400
_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  0.626  0.350  0.000  1.0
  Gd  Gd1  1  0.374  0.650  0.000  1.0
  Gd  Gd2  1  0.126  0.150  0.000  1.0
  Gd  Gd3  1  0.874  0.850  0.000  1.0
  B  B4  1  0.785  0.186  0.500  1.0
  B  B5  1  0.215  0.814  0.500  1.0
  B  B6  1  0.285  0.314  0.500  1.0
  B  B7  1  0.715  0.686  0.500  1.0
  B  B8  1  0.866  0.032  0.500  1.0
  B  B9  1  0.134  0.968  0.500  1.0
  B  B10  1  0.366  0.468  0.500  1.0
  B  B11  1  0.634  0.532  0.500  1.0
  B  B12  1  0.886  0.453  0.500  1.0
  B  B13  1  0.114  0.547  0.500  1.0
  B  B14  1  0.386  0.047  0.500  1.0
  B  B15  1  0.614  0.953  0.500  1.0
  B  B16  1  0.976  0.307  0.500  1.0
  B  B17  1  0.024  0.693  0.500  1.0
  B  B18  1  0.476  0.193  0.500  1.0
  B  B19  1  0.524  0.807  0.500  1.0
  Mo  Mo20  1  0.629  0.083  0.000  1.0
  Mo  Mo21  1  0.371  0.917  0.000  1.0
  Mo  Mo22  1  0.129  0.417  0.000  1.0
  Mo  Mo23  1  0.871  0.583  0.000  1.0
[/CIF]
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