The material described by YCrB4 crystallizes in the orthorhombic Pbam space group. Y(1) is bonded in a 14-coordinate geometry to two equivalent B(2), four equivalent B(1), four equivalent B(3), and four equivalent B(4) atoms. Cr(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(3), two equivalent B(4), and four equivalent B(2) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), two equivalent Cr(1), one B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Cr(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Y(1), two equivalent Cr(1), one B(4), and two equivalent B(1) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Y(1), two equivalent Cr(1), one B(2), one B(3), and one B(4) atom. is represented by the CIF card [CIF]
data_YCrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.446
_cell_length_b   5.918
_cell_length_c   11.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.218
_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
  Y  Y0  1  0.000  0.375  0.650  1.0
  Y  Y1  1  0.000  0.625  0.350  1.0
  Y  Y2  1  0.000  0.875  0.850  1.0
  Y  Y3  1  0.000  0.125  0.150  1.0
  Cr  Cr4  1  0.000  0.379  0.921  1.0
  Cr  Cr5  1  0.000  0.621  0.079  1.0
  Cr  Cr6  1  0.000  0.879  0.579  1.0
  Cr  Cr7  1  0.000  0.121  0.421  1.0
  B  B8  1  0.500  0.025  0.691  1.0
  B  B9  1  0.500  0.975  0.309  1.0
  B  B10  1  0.500  0.525  0.809  1.0
  B  B11  1  0.500  0.475  0.191  1.0
  B  B12  1  0.500  0.113  0.547  1.0
  B  B13  1  0.500  0.887  0.453  1.0
  B  B14  1  0.500  0.613  0.953  1.0
  B  B15  1  0.500  0.387  0.047  1.0
  B  B16  1  0.500  0.280  0.316  1.0
  B  B17  1  0.500  0.720  0.684  1.0
  B  B18  1  0.500  0.780  0.184  1.0
  B  B19  1  0.500  0.220  0.816  1.0
  B  B20  1  0.500  0.362  0.467  1.0
  B  B21  1  0.500  0.638  0.533  1.0
  B  B22  1  0.500  0.862  0.033  1.0
  B  B23  1  0.500  0.138  0.967  1.0
[/CIF]
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The material described by YCrB4 crystallizes in the orthorhombic Pbam space group. Y(1) is bonded in a 14-coordinate geometry to two equivalent B(2), four equivalent B(1), four equivalent B(3), and four equivalent B(4) atoms. Cr(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(3), two equivalent B(4), and four equivalent B(2) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), two equivalent Cr(1), one B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Cr(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Y(1), two equivalent Cr(1), one B(4), and two equivalent B(1) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Y(1), two equivalent Cr(1), one B(2), one B(3), and one B(4) atom. is represented by the CIF card [CIF]
data_YCrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.446
_cell_length_b   5.918
_cell_length_c   11.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.218
_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
  Y  Y0  1  0.000  0.375  0.650  1.0
  Y  Y1  1  0.000  0.625  0.350  1.0
  Y  Y2  1  0.000  0.875  0.850  1.0
  Y  Y3  1  0.000  0.125  0.150  1.0
  Cr  Cr4  1  0.000  0.379  0.921  1.0
  Cr  Cr5  1  0.000  0.621  0.079  1.0
  Cr  Cr6  1  0.000  0.879  0.579  1.0
  Cr  Cr7  1  0.000  0.121  0.421  1.0
  B  B8  1  0.500  0.025  0.691  1.0
  B  B9  1  0.500  0.975  0.309  1.0
  B  B10  1  0.500  0.525  0.809  1.0
  B  B11  1  0.500  0.475  0.191  1.0
  B  B12  1  0.500  0.113  0.547  1.0
  B  B13  1  0.500  0.887  0.453  1.0
  B  B14  1  0.500  0.613  0.953  1.0
  B  B15  1  0.500  0.387  0.047  1.0
  B  B16  1  0.500  0.280  0.316  1.0
  B  B17  1  0.500  0.720  0.684  1.0
  B  B18  1  0.500  0.780  0.184  1.0
  B  B19  1  0.500  0.220  0.816  1.0
  B  B20  1  0.500  0.362  0.467  1.0
  B  B21  1  0.500  0.638  0.533  1.0
  B  B22  1  0.500  0.862  0.033  1.0
  B  B23  1  0.500  0.138  0.967  1.0
[/CIF]
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