The compound described by Gd3Co11B4 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 20-coordinate geometry to one Gd(1), one Gd(2), two equivalent Co(2), two equivalent Co(5), four equivalent Co(1), four equivalent Co(4), and six equivalent B(1) atoms. In the second Gd site, Gd(2) is bonded in a 18-coordinate geometry to two equivalent Gd(1), four equivalent Co(2), six equivalent Co(3), and eight equivalent Co(1) atoms. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Gd(1), two equivalent Gd(2), two equivalent Co(3), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Gd(1), two equivalent Gd(2), two equivalent Co(3), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Gd(2), two equivalent Co(2), and four equivalent Co(1) atoms. In the fourth Co site, Co(4) is bonded in a distorted square co-planar geometry to four equivalent Gd(1) and four equivalent B(1) atoms. In the fifth Co site, Co(5) is bonded in a distorted square co-planar geometry to four equivalent Gd(1) and four equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Gd(1), one Co(2), one Co(5), two equivalent Co(1), and two equivalent Co(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3Co11B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.044
_cell_length_b   5.068
_cell_length_c   9.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.848
_symmetry_Int_Tables_number   1
_cell_volume   214.759
_cell_formula_units_Z   1
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  0.000  0.656  1.0
  Gd  Gd1  1  0.000  0.000  0.344  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.500  0.800  1.0
  Co  Co4  1  0.500  0.500  0.800  1.0
  Co  Co5  1  0.500  0.000  0.201  1.0
  Co  Co6  1  0.666  0.332  0.000  1.0
  Co  Co7  1  0.000  0.500  0.200  1.0
  Co  Co8  1  0.500  0.000  0.799  1.0
  Co  Co9  1  0.500  0.500  0.200  1.0
  Co  Co10  1  0.500  0.500  0.500  1.0
  Co  Co11  1  0.334  0.668  0.000  1.0
  Co  Co12  1  0.500  0.000  0.500  1.0
  Co  Co13  1  0.000  0.500  0.500  1.0
  B  B14  1  0.667  0.333  0.648  1.0
  B  B15  1  0.333  0.667  0.352  1.0
  B  B16  1  0.333  0.667  0.648  1.0
  B  B17  1  0.667  0.333  0.352  1.0
[/CIF]
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The compound described by Gd3Co11B4 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 20-coordinate geometry to one Gd(1), one Gd(2), two equivalent Co(2), two equivalent Co(5), four equivalent Co(1), four equivalent Co(4), and six equivalent B(1) atoms. In the second Gd site, Gd(2) is bonded in a 18-coordinate geometry to two equivalent Gd(1), four equivalent Co(2), six equivalent Co(3), and eight equivalent Co(1) atoms. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Gd(1), two equivalent Gd(2), two equivalent Co(3), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Gd(1), two equivalent Gd(2), two equivalent Co(3), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Gd(2), two equivalent Co(2), and four equivalent Co(1) atoms. In the fourth Co site, Co(4) is bonded in a distorted square co-planar geometry to four equivalent Gd(1) and four equivalent B(1) atoms. In the fifth Co site, Co(5) is bonded in a distorted square co-planar geometry to four equivalent Gd(1) and four equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Gd(1), one Co(2), one Co(5), two equivalent Co(1), and two equivalent Co(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3Co11B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.044
_cell_length_b   5.068
_cell_length_c   9.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.848
_symmetry_Int_Tables_number   1
_cell_volume   214.759
_cell_formula_units_Z   1
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  0.000  0.656  1.0
  Gd  Gd1  1  0.000  0.000  0.344  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.500  0.800  1.0
  Co  Co4  1  0.500  0.500  0.800  1.0
  Co  Co5  1  0.500  0.000  0.201  1.0
  Co  Co6  1  0.666  0.332  0.000  1.0
  Co  Co7  1  0.000  0.500  0.200  1.0
  Co  Co8  1  0.500  0.000  0.799  1.0
  Co  Co9  1  0.500  0.500  0.200  1.0
  Co  Co10  1  0.500  0.500  0.500  1.0
  Co  Co11  1  0.334  0.668  0.000  1.0
  Co  Co12  1  0.500  0.000  0.500  1.0
  Co  Co13  1  0.000  0.500  0.500  1.0
  B  B14  1  0.667  0.333  0.648  1.0
  B  B15  1  0.333  0.667  0.352  1.0
  B  B16  1  0.333  0.667  0.648  1.0
  B  B17  1  0.667  0.333  0.352  1.0
[/CIF]
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