The material structure described by Zr3As crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent As(1) atoms. In the second Zr site, Zr(2) is bonded in a distorted see-saw-like geometry to four equivalent As(1) atoms. In the third Zr site, Zr(3) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   11.022
_cell_length_c   11.022
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   664.609
_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
  Zr  Zr0  1  0.287  0.833  0.145  1.0
  Zr  Zr1  1  0.287  0.667  0.355  1.0
  Zr  Zr2  1  0.787  0.645  0.167  1.0
  Zr  Zr3  1  0.787  0.855  0.333  1.0
  Zr  Zr4  1  0.713  0.167  0.855  1.0
  Zr  Zr5  1  0.713  0.333  0.645  1.0
  Zr  Zr6  1  0.213  0.355  0.833  1.0
  Zr  Zr7  1  0.213  0.145  0.667  1.0
  Zr  Zr8  1  0.967  0.277  0.111  1.0
  Zr  Zr9  1  0.967  0.223  0.389  1.0
  Zr  Zr10  1  0.467  0.611  0.723  1.0
  Zr  Zr11  1  0.467  0.889  0.777  1.0
  Zr  Zr12  1  0.033  0.723  0.889  1.0
  Zr  Zr13  1  0.033  0.777  0.611  1.0
  Zr  Zr14  1  0.533  0.389  0.277  1.0
  Zr  Zr15  1  0.533  0.111  0.223  1.0
  Zr  Zr16  1  0.239  0.431  0.535  1.0
  Zr  Zr17  1  0.239  0.069  0.965  1.0
  Zr  Zr18  1  0.739  0.035  0.569  1.0
  Zr  Zr19  1  0.739  0.465  0.931  1.0
  Zr  Zr20  1  0.761  0.569  0.465  1.0
  Zr  Zr21  1  0.761  0.931  0.035  1.0
  Zr  Zr22  1  0.261  0.965  0.431  1.0
  Zr  Zr23  1  0.261  0.535  0.069  1.0
  As  As24  1  0.462  0.290  0.044  1.0
  As  As25  1  0.462  0.210  0.456  1.0
  As  As26  1  0.962  0.544  0.710  1.0
  As  As27  1  0.962  0.956  0.790  1.0
  As  As28  1  0.538  0.710  0.956  1.0
  As  As29  1  0.538  0.790  0.544  1.0
  As  As30  1  0.038  0.456  0.290  1.0
  As  As31  1  0.038  0.044  0.210  1.0
[/CIF]
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The material structure described by Zr3As crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent As(1) atoms. In the second Zr site, Zr(2) is bonded in a distorted see-saw-like geometry to four equivalent As(1) atoms. In the third Zr site, Zr(3) is bonded in a 3-coordinate geometry to three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.471
_cell_length_b   11.022
_cell_length_c   11.022
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   664.609
_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
  Zr  Zr0  1  0.287  0.833  0.145  1.0
  Zr  Zr1  1  0.287  0.667  0.355  1.0
  Zr  Zr2  1  0.787  0.645  0.167  1.0
  Zr  Zr3  1  0.787  0.855  0.333  1.0
  Zr  Zr4  1  0.713  0.167  0.855  1.0
  Zr  Zr5  1  0.713  0.333  0.645  1.0
  Zr  Zr6  1  0.213  0.355  0.833  1.0
  Zr  Zr7  1  0.213  0.145  0.667  1.0
  Zr  Zr8  1  0.967  0.277  0.111  1.0
  Zr  Zr9  1  0.967  0.223  0.389  1.0
  Zr  Zr10  1  0.467  0.611  0.723  1.0
  Zr  Zr11  1  0.467  0.889  0.777  1.0
  Zr  Zr12  1  0.033  0.723  0.889  1.0
  Zr  Zr13  1  0.033  0.777  0.611  1.0
  Zr  Zr14  1  0.533  0.389  0.277  1.0
  Zr  Zr15  1  0.533  0.111  0.223  1.0
  Zr  Zr16  1  0.239  0.431  0.535  1.0
  Zr  Zr17  1  0.239  0.069  0.965  1.0
  Zr  Zr18  1  0.739  0.035  0.569  1.0
  Zr  Zr19  1  0.739  0.465  0.931  1.0
  Zr  Zr20  1  0.761  0.569  0.465  1.0
  Zr  Zr21  1  0.761  0.931  0.035  1.0
  Zr  Zr22  1  0.261  0.965  0.431  1.0
  Zr  Zr23  1  0.261  0.535  0.069  1.0
  As  As24  1  0.462  0.290  0.044  1.0
  As  As25  1  0.462  0.210  0.456  1.0
  As  As26  1  0.962  0.544  0.710  1.0
  As  As27  1  0.962  0.956  0.790  1.0
  As  As28  1  0.538  0.710  0.956  1.0
  As  As29  1  0.538  0.790  0.544  1.0
  As  As30  1  0.038  0.456  0.290  1.0
  As  As31  1  0.038  0.044  0.210  1.0
[/CIF]
.