The material described by Gd3MnB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 11-coordinate geometry to two equivalent B(1), two equivalent B(3), three equivalent B(2), and four equivalent B(4) atoms. In the second Gd site, Gd(2) is bonded in a 10-coordinate geometry to four equivalent B(3) and six equivalent B(2) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), one B(3), and two equivalent B(2) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), two 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 CIF card [CIF]
data_Gd3MnB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.139
_cell_length_c   9.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   24.460
_symmetry_Int_Tables_number   1
_cell_volume   257.037
_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
  Gd  Gd0  1  0.104  0.104  0.061  1.0
  Gd  Gd1  1  0.896  0.896  0.561  1.0
  Gd  Gd2  1  0.896  0.896  0.939  1.0
  Gd  Gd3  1  0.104  0.104  0.439  1.0
  Gd  Gd4  1  0.759  0.759  0.250  1.0
  Gd  Gd5  1  0.241  0.241  0.750  1.0
  Mn  Mn6  1  0.946  0.946  0.250  1.0
  Mn  Mn7  1  0.054  0.054  0.750  1.0
  B  B8  1  0.538  0.538  0.250  1.0
  B  B9  1  0.462  0.462  0.750  1.0
  B  B10  1  0.273  0.273  0.031  1.0
  B  B11  1  0.727  0.727  0.531  1.0
  B  B12  1  0.727  0.727  0.969  1.0
  B  B13  1  0.273  0.273  0.469  1.0
  B  B14  1  0.370  0.370  0.347  1.0
  B  B15  1  0.630  0.630  0.847  1.0
  B  B16  1  0.630  0.630  0.653  1.0
  B  B17  1  0.370  0.370  0.153  1.0
  B  B18  1  0.477  0.477  0.401  1.0
  B  B19  1  0.523  0.523  0.901  1.0
  B  B20  1  0.523  0.523  0.599  1.0
  B  B21  1  0.477  0.477  0.099  1.0
[/CIF]
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The material described by Gd3MnB7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 11-coordinate geometry to two equivalent B(1), two equivalent B(3), three equivalent B(2), and four equivalent B(4) atoms. In the second Gd site, Gd(2) is bonded in a 10-coordinate geometry to four equivalent B(3) and six equivalent B(2) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent B(1), four equivalent B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to four equivalent Gd(1), two equivalent Mn(1), and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), one B(3), and two equivalent B(2) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), two 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 CIF card [CIF]
data_Gd3MnB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.139
_cell_length_c   9.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   24.460
_symmetry_Int_Tables_number   1
_cell_volume   257.037
_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
  Gd  Gd0  1  0.104  0.104  0.061  1.0
  Gd  Gd1  1  0.896  0.896  0.561  1.0
  Gd  Gd2  1  0.896  0.896  0.939  1.0
  Gd  Gd3  1  0.104  0.104  0.439  1.0
  Gd  Gd4  1  0.759  0.759  0.250  1.0
  Gd  Gd5  1  0.241  0.241  0.750  1.0
  Mn  Mn6  1  0.946  0.946  0.250  1.0
  Mn  Mn7  1  0.054  0.054  0.750  1.0
  B  B8  1  0.538  0.538  0.250  1.0
  B  B9  1  0.462  0.462  0.750  1.0
  B  B10  1  0.273  0.273  0.031  1.0
  B  B11  1  0.727  0.727  0.531  1.0
  B  B12  1  0.727  0.727  0.969  1.0
  B  B13  1  0.273  0.273  0.469  1.0
  B  B14  1  0.370  0.370  0.347  1.0
  B  B15  1  0.630  0.630  0.847  1.0
  B  B16  1  0.630  0.630  0.653  1.0
  B  B17  1  0.370  0.370  0.153  1.0
  B  B18  1  0.477  0.477  0.401  1.0
  B  B19  1  0.523  0.523  0.901  1.0
  B  B20  1  0.523  0.523  0.599  1.0
  B  B21  1  0.477  0.477  0.099  1.0
[/CIF]
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