The material structure described by CaAs crystallizes in the hexagonal P-62m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent As(1) and four equivalent As(2) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent As(1) and four equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(2) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one As(2) atom. In the second As site, As(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.866
_cell_length_b   7.866
_cell_length_c   5.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   319.001
_cell_formula_units_Z   6
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  0.314  0.000  0.000  1.0
  Ca  Ca1  1  0.686  0.686  0.000  1.0
  Ca  Ca2  1  0.000  0.314  0.000  1.0
  Ca  Ca3  1  0.648  0.000  0.500  1.0
  Ca  Ca4  1  0.352  0.352  0.500  1.0
  Ca  Ca5  1  0.000  0.648  0.500  1.0
  As  As6  1  0.000  0.000  0.291  1.0
  As  As7  1  0.000  0.000  0.709  1.0
  As  As8  1  0.333  0.667  0.214  1.0
  As  As9  1  0.333  0.667  0.786  1.0
  As  As10  1  0.667  0.333  0.786  1.0
  As  As11  1  0.667  0.333  0.214  1.0
[/CIF]
.
The material structure described by CaAs crystallizes in the hexagonal P-62m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent As(1) and four equivalent As(2) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent As(1) and four equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(2) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one As(2) atom. In the second As site, As(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.866
_cell_length_b   7.866
_cell_length_c   5.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   319.001
_cell_formula_units_Z   6
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  0.314  0.000  0.000  1.0
  Ca  Ca1  1  0.686  0.686  0.000  1.0
  Ca  Ca2  1  0.000  0.314  0.000  1.0
  Ca  Ca3  1  0.648  0.000  0.500  1.0
  Ca  Ca4  1  0.352  0.352  0.500  1.0
  Ca  Ca5  1  0.000  0.648  0.500  1.0
  As  As6  1  0.000  0.000  0.291  1.0
  As  As7  1  0.000  0.000  0.709  1.0
  As  As8  1  0.333  0.667  0.214  1.0
  As  As9  1  0.333  0.667  0.786  1.0
  As  As10  1  0.667  0.333  0.786  1.0
  As  As11  1  0.667  0.333  0.214  1.0
[/CIF]
.