The material described by Cr crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 13-coordinate geometry to one Cr(1), two equivalent Cr(2), four equivalent Cr(3), and six equivalent Cr(4) atoms. In the second Cr site, Cr(4) is bonded in a 13-coordinate geometry to two equivalent Cr(4), three equivalent Cr(1), four equivalent Cr(2), and four equivalent Cr(3) atoms. In the third Cr site, Cr(2) is bonded in a 14-coordinate geometry to one Cr(1), four equivalent Cr(3), four equivalent Cr(4), and five equivalent Cr(2) atoms. In the fourth Cr site, Cr(3) is bonded in a distorted q6 geometry to one Cr(3), two equivalent Cr(1), four equivalent Cr(2), and four equivalent Cr(4) atoms. is represented by the CIF file [CIF]
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.556
_cell_length_b   8.599
_cell_length_c   8.599
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.948
_cell_formula_units_Z   28
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
  Cr  Cr0  1  0.500  0.103  0.897  1.0
  Cr  Cr1  1  0.500  0.897  0.103  1.0
  Cr  Cr2  1  0.000  0.397  0.397  1.0
  Cr  Cr3  1  0.000  0.603  0.603  1.0
  Cr  Cr4  1  0.500  0.374  0.965  1.0
  Cr  Cr5  1  0.500  0.626  0.035  1.0
  Cr  Cr6  1  0.000  0.126  0.465  1.0
  Cr  Cr7  1  0.000  0.874  0.535  1.0
  Cr  Cr8  1  0.500  0.965  0.374  1.0
  Cr  Cr9  1  0.500  0.035  0.626  1.0
  Cr  Cr10  1  0.000  0.465  0.126  1.0
  Cr  Cr11  1  0.000  0.535  0.874  1.0
  Cr  Cr12  1  0.500  0.445  0.256  1.0
  Cr  Cr13  1  0.500  0.555  0.744  1.0
  Cr  Cr14  1  0.000  0.055  0.756  1.0
  Cr  Cr15  1  0.000  0.945  0.244  1.0
  Cr  Cr16  1  0.500  0.256  0.445  1.0
  Cr  Cr17  1  0.500  0.744  0.555  1.0
  Cr  Cr18  1  0.000  0.756  0.055  1.0
  Cr  Cr19  1  0.000  0.244  0.945  1.0
  Cr  Cr20  1  0.246  0.313  0.687  1.0
  Cr  Cr21  1  0.246  0.687  0.313  1.0
  Cr  Cr22  1  0.746  0.187  0.187  1.0
  Cr  Cr23  1  0.746  0.813  0.813  1.0
  Cr  Cr24  1  0.754  0.687  0.313  1.0
  Cr  Cr25  1  0.754  0.313  0.687  1.0
  Cr  Cr26  1  0.254  0.813  0.813  1.0
  Cr  Cr27  1  0.254  0.187  0.187  1.0
[/CIF]
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The material described by Cr crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 13-coordinate geometry to one Cr(1), two equivalent Cr(2), four equivalent Cr(3), and six equivalent Cr(4) atoms. In the second Cr site, Cr(4) is bonded in a 13-coordinate geometry to two equivalent Cr(4), three equivalent Cr(1), four equivalent Cr(2), and four equivalent Cr(3) atoms. In the third Cr site, Cr(2) is bonded in a 14-coordinate geometry to one Cr(1), four equivalent Cr(3), four equivalent Cr(4), and five equivalent Cr(2) atoms. In the fourth Cr site, Cr(3) is bonded in a distorted q6 geometry to one Cr(3), two equivalent Cr(1), four equivalent Cr(2), and four equivalent Cr(4) atoms. is represented by the CIF file [CIF]
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.556
_cell_length_b   8.599
_cell_length_c   8.599
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.948
_cell_formula_units_Z   28
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
  Cr  Cr0  1  0.500  0.103  0.897  1.0
  Cr  Cr1  1  0.500  0.897  0.103  1.0
  Cr  Cr2  1  0.000  0.397  0.397  1.0
  Cr  Cr3  1  0.000  0.603  0.603  1.0
  Cr  Cr4  1  0.500  0.374  0.965  1.0
  Cr  Cr5  1  0.500  0.626  0.035  1.0
  Cr  Cr6  1  0.000  0.126  0.465  1.0
  Cr  Cr7  1  0.000  0.874  0.535  1.0
  Cr  Cr8  1  0.500  0.965  0.374  1.0
  Cr  Cr9  1  0.500  0.035  0.626  1.0
  Cr  Cr10  1  0.000  0.465  0.126  1.0
  Cr  Cr11  1  0.000  0.535  0.874  1.0
  Cr  Cr12  1  0.500  0.445  0.256  1.0
  Cr  Cr13  1  0.500  0.555  0.744  1.0
  Cr  Cr14  1  0.000  0.055  0.756  1.0
  Cr  Cr15  1  0.000  0.945  0.244  1.0
  Cr  Cr16  1  0.500  0.256  0.445  1.0
  Cr  Cr17  1  0.500  0.744  0.555  1.0
  Cr  Cr18  1  0.000  0.756  0.055  1.0
  Cr  Cr19  1  0.000  0.244  0.945  1.0
  Cr  Cr20  1  0.246  0.313  0.687  1.0
  Cr  Cr21  1  0.246  0.687  0.313  1.0
  Cr  Cr22  1  0.746  0.187  0.187  1.0
  Cr  Cr23  1  0.746  0.813  0.813  1.0
  Cr  Cr24  1  0.754  0.687  0.313  1.0
  Cr  Cr25  1  0.754  0.313  0.687  1.0
  Cr  Cr26  1  0.254  0.813  0.813  1.0
  Cr  Cr27  1  0.254  0.187  0.187  1.0
[/CIF]
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