The material structure described by Zn2Si2AsP3 is Stannite-like structured and crystallizes in the monoclinic C2 space group. Zn(1) is bonded to one As(1), one P(1), and two equivalent P(2) atoms to form ZnAsP3 tetrahedra that share corners with four equivalent Zn(1)AsP3 tetrahedra and corners with eight equivalent Si(1)AsP3 tetrahedra. Si(1) is bonded to one As(1), one P(1), and two equivalent P(2) atoms to form SiAsP3 tetrahedra that share corners with four equivalent Si(1)AsP3 tetrahedra and corners with eight equivalent Zn(1)AsP3 tetrahedra. As(1) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form AsZn2Si2 tetrahedra that share corners with four equivalent P(1)Zn2Si2 tetrahedra and corners with eight equivalent P(2)Zn2Si2 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form PZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra and corners with eight equivalent P(2)Zn2Si2 tetrahedra. In the second P site, P(2) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form PZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra, corners with four equivalent P(1)Zn2Si2 tetrahedra, and corners with four equivalent P(2)Zn2Si2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Si2AsP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.476
_cell_length_c   6.604
_cell_angle_alpha   65.508
_cell_angle_beta   65.150
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.274
_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
  Zn  Zn0  1  0.760  0.260  0.494  1.0
  Zn  Zn1  1  0.990  0.005  0.006  1.0
  Si  Si2  1  0.246  0.746  0.495  1.0
  Si  Si3  1  0.504  0.490  0.005  1.0
  As  As4  1  0.375  0.860  0.750  1.0
  P  P5  1  0.875  0.391  0.750  1.0
  P  P6  1  0.143  0.124  0.250  1.0
  P  P7  1  0.607  0.624  0.250  1.0
[/CIF]
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The material structure described by Zn2Si2AsP3 is Stannite-like structured and crystallizes in the monoclinic C2 space group. Zn(1) is bonded to one As(1), one P(1), and two equivalent P(2) atoms to form ZnAsP3 tetrahedra that share corners with four equivalent Zn(1)AsP3 tetrahedra and corners with eight equivalent Si(1)AsP3 tetrahedra. Si(1) is bonded to one As(1), one P(1), and two equivalent P(2) atoms to form SiAsP3 tetrahedra that share corners with four equivalent Si(1)AsP3 tetrahedra and corners with eight equivalent Zn(1)AsP3 tetrahedra. As(1) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form AsZn2Si2 tetrahedra that share corners with four equivalent P(1)Zn2Si2 tetrahedra and corners with eight equivalent P(2)Zn2Si2 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form PZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra and corners with eight equivalent P(2)Zn2Si2 tetrahedra. In the second P site, P(2) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form PZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra, corners with four equivalent P(1)Zn2Si2 tetrahedra, and corners with four equivalent P(2)Zn2Si2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Si2AsP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.476
_cell_length_c   6.604
_cell_angle_alpha   65.508
_cell_angle_beta   65.150
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.274
_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
  Zn  Zn0  1  0.760  0.260  0.494  1.0
  Zn  Zn1  1  0.990  0.005  0.006  1.0
  Si  Si2  1  0.246  0.746  0.495  1.0
  Si  Si3  1  0.504  0.490  0.005  1.0
  As  As4  1  0.375  0.860  0.750  1.0
  P  P5  1  0.875  0.391  0.750  1.0
  P  P6  1  0.143  0.124  0.250  1.0
  P  P7  1  0.607  0.624  0.250  1.0
[/CIF]
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