The material described by BeZnO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra and corners with eight equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra and corners with eight equivalent Be(1)O4 tetrahedra. O(1) is bonded to two equivalent Be(1) and two equivalent Zn(1) atoms to form corner-sharing OBe2Zn2 tetrahedra. is represented by the CIF file [CIF]
data_BeZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   5.034
_cell_length_c   5.034
_cell_angle_alpha   129.319
_cell_angle_beta   129.319
_cell_angle_gamma   74.498
_symmetry_Int_Tables_number   1
_cell_volume   74.391
_cell_formula_units_Z   2
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
  Be  Be0  1  0.750  0.250  0.500  1.0
  Be  Be1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.690  0.125  0.065  1.0
  O  O5  1  0.875  0.940  0.565  1.0
  O  O6  1  0.375  0.310  0.435  1.0
  O  O7  1  0.060  0.625  0.935  1.0
[/CIF]
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The material described by BeZnO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra and corners with eight equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra and corners with eight equivalent Be(1)O4 tetrahedra. O(1) is bonded to two equivalent Be(1) and two equivalent Zn(1) atoms to form corner-sharing OBe2Zn2 tetrahedra. is represented by the CIF file [CIF]
data_BeZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   5.034
_cell_length_c   5.034
_cell_angle_alpha   129.319
_cell_angle_beta   129.319
_cell_angle_gamma   74.498
_symmetry_Int_Tables_number   1
_cell_volume   74.391
_cell_formula_units_Z   2
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
  Be  Be0  1  0.750  0.250  0.500  1.0
  Be  Be1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.690  0.125  0.065  1.0
  O  O5  1  0.875  0.940  0.565  1.0
  O  O6  1  0.375  0.310  0.435  1.0
  O  O7  1  0.060  0.625  0.935  1.0
[/CIF]
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