The crystal structure described by Ca(CoAs)2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Co(1) and eight equivalent As(1) atoms. Co(1) is bonded to four equivalent Ca(1) and four equivalent As(1) atoms to form a mixture of distorted edge, face, and corner-sharing CoCa4As4 tetrahedra. As(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(CoAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.009
_cell_length_b   4.009
_cell_length_c   5.789
_cell_angle_alpha   110.259
_cell_angle_beta   110.259
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.105
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.250  0.750  0.500  1.0
  Co  Co2  1  0.750  0.250  0.500  1.0
  As  As3  1  0.363  0.363  0.727  1.0
  As  As4  1  0.637  0.637  0.273  1.0
[/CIF]
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The crystal structure described by Ca(CoAs)2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Co(1) and eight equivalent As(1) atoms. Co(1) is bonded to four equivalent Ca(1) and four equivalent As(1) atoms to form a mixture of distorted edge, face, and corner-sharing CoCa4As4 tetrahedra. As(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(CoAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.009
_cell_length_b   4.009
_cell_length_c   5.789
_cell_angle_alpha   110.259
_cell_angle_beta   110.259
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.105
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.250  0.750  0.500  1.0
  Co  Co2  1  0.750  0.250  0.500  1.0
  As  As3  1  0.363  0.363  0.727  1.0
  As  As4  1  0.637  0.637  0.273  1.0
[/CIF]
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