The crystal structure described by MgCuAs crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), two equivalent As(1), and three equivalent As(2) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one Cu(1), two equivalent Cu(2), two equivalent As(2), and three equivalent As(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to one Mg(2), three equivalent Mg(1), two equivalent Cu(1), two equivalent Cu(2), one As(2), and three equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), two equivalent Cu(1), one As(1), and three equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), one Cu(2), and three equivalent Cu(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), one Cu(1), and three equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_MgCuAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.955
_cell_length_b   7.354
_cell_length_c   13.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.558
_cell_formula_units_Z   8
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
  Mg  Mg0  1  0.250  0.328  0.143  1.0
  Mg  Mg1  1  0.250  0.444  0.393  1.0
  Mg  Mg2  1  0.750  0.944  0.107  1.0
  Mg  Mg3  1  0.750  0.828  0.357  1.0
  Mg  Mg4  1  0.750  0.556  0.607  1.0
  Mg  Mg5  1  0.750  0.672  0.857  1.0
  Mg  Mg6  1  0.250  0.056  0.893  1.0
  Mg  Mg7  1  0.250  0.172  0.643  1.0
  Cu  Cu8  1  0.250  0.070  0.433  1.0
  Cu  Cu9  1  0.250  0.699  0.186  1.0
  Cu  Cu10  1  0.750  0.570  0.067  1.0
  Cu  Cu11  1  0.250  0.430  0.933  1.0
  Cu  Cu12  1  0.250  0.801  0.686  1.0
  Cu  Cu13  1  0.750  0.930  0.567  1.0
  Cu  Cu14  1  0.750  0.301  0.814  1.0
  Cu  Cu15  1  0.750  0.199  0.314  1.0
  As  As16  1  0.250  0.750  0.500  1.0
  As  As17  1  0.750  0.250  0.500  1.0
  As  As18  1  0.750  0.250  1.000  1.0
  As  As19  1  0.250  0.020  0.247  1.0
  As  As20  1  0.750  0.520  0.253  1.0
  As  As21  1  0.250  0.480  0.747  1.0
  As  As22  1  0.250  0.750  0.000  1.0
  As  As23  1  0.750  0.980  0.753  1.0
[/CIF]
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The crystal structure described by MgCuAs crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), two equivalent As(1), and three equivalent As(2) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one Cu(1), two equivalent Cu(2), two equivalent As(2), and three equivalent As(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to one Mg(2), three equivalent Mg(1), two equivalent Cu(1), two equivalent Cu(2), one As(2), and three equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), two equivalent Cu(1), one As(1), and three equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), three equivalent Mg(2), one Cu(2), and three equivalent Cu(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), one Cu(1), and three equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_MgCuAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.955
_cell_length_b   7.354
_cell_length_c   13.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.558
_cell_formula_units_Z   8
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
  Mg  Mg0  1  0.250  0.328  0.143  1.0
  Mg  Mg1  1  0.250  0.444  0.393  1.0
  Mg  Mg2  1  0.750  0.944  0.107  1.0
  Mg  Mg3  1  0.750  0.828  0.357  1.0
  Mg  Mg4  1  0.750  0.556  0.607  1.0
  Mg  Mg5  1  0.750  0.672  0.857  1.0
  Mg  Mg6  1  0.250  0.056  0.893  1.0
  Mg  Mg7  1  0.250  0.172  0.643  1.0
  Cu  Cu8  1  0.250  0.070  0.433  1.0
  Cu  Cu9  1  0.250  0.699  0.186  1.0
  Cu  Cu10  1  0.750  0.570  0.067  1.0
  Cu  Cu11  1  0.250  0.430  0.933  1.0
  Cu  Cu12  1  0.250  0.801  0.686  1.0
  Cu  Cu13  1  0.750  0.930  0.567  1.0
  Cu  Cu14  1  0.750  0.301  0.814  1.0
  Cu  Cu15  1  0.750  0.199  0.314  1.0
  As  As16  1  0.250  0.750  0.500  1.0
  As  As17  1  0.750  0.250  0.500  1.0
  As  As18  1  0.750  0.250  1.000  1.0
  As  As19  1  0.250  0.020  0.247  1.0
  As  As20  1  0.750  0.520  0.253  1.0
  As  As21  1  0.250  0.480  0.747  1.0
  As  As22  1  0.250  0.750  0.000  1.0
  As  As23  1  0.750  0.980  0.753  1.0
[/CIF]
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