The crystal structure described by Be3ZnO4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra and corners with eight equivalent Be(2)O4 tetrahedra. In the second Be site, Be(2) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra, corners with four equivalent Be(2)O4 tetrahedra, and corners with four 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 Be(1)O4 tetrahedra and corners with eight equivalent Be(2)O4 tetrahedra. O(1) is bonded to one Be(1), two equivalent Be(2), and one Zn(1) atom to form corner-sharing OBe3Zn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be3ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   4.897
_cell_length_c   4.897
_cell_angle_alpha   131.003
_cell_angle_beta   131.003
_cell_angle_gamma   71.809
_symmetry_Int_Tables_number   1
_cell_volume   65.426
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.750  0.250  0.500  1.0
  Be  Be2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.082  0.082  0.439  1.0
  O  O5  1  0.643  0.643  0.561  1.0
  O  O6  1  0.357  0.918  0.000  1.0
  O  O7  1  0.918  0.357  0.000  1.0
[/CIF]
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The crystal structure described by Be3ZnO4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra and corners with eight equivalent Be(2)O4 tetrahedra. In the second Be site, Be(2) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra, corners with four equivalent Be(2)O4 tetrahedra, and corners with four 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 Be(1)O4 tetrahedra and corners with eight equivalent Be(2)O4 tetrahedra. O(1) is bonded to one Be(1), two equivalent Be(2), and one Zn(1) atom to form corner-sharing OBe3Zn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be3ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   4.897
_cell_length_c   4.897
_cell_angle_alpha   131.003
_cell_angle_beta   131.003
_cell_angle_gamma   71.809
_symmetry_Int_Tables_number   1
_cell_volume   65.426
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.750  0.250  0.500  1.0
  Be  Be2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.082  0.082  0.439  1.0
  O  O5  1  0.643  0.643  0.561  1.0
  O  O6  1  0.357  0.918  0.000  1.0
  O  O7  1  0.918  0.357  0.000  1.0
[/CIF]
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