The compound described by MgZn4O5 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(9) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(5)O4 tetrahedra, and corners with six equivalent Mg(1)O4 tetrahedra. In the second Mg site, Mg(2) is bonded to one O(10) and three equivalent O(5) atoms to form MgO4 tetrahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(5)O4 tetrahedra, and corners with six equivalent Mg(2)O4 tetrahedra. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1) and three equivalent O(10) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(2)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, and corners with six equivalent Zn(1)O4 tetrahedra. In the second Zn site, Zn(2,3,7) is bonded to four equivalent O(2,3,6,7) atoms to form corner-sharing ZnO4 tetrahedra. In the third Zn site, Zn(4) is bonded to one O(4) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(8)O4 tetrahedra, and corners with six equivalent Zn(4)O4 tetrahedra. In the fourth Zn site, Zn(5) is bonded to one O(5) and three equivalent O(9) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mg(2)O4 tetrahedra, and corners with six equivalent Zn(5)O4 tetrahedra. In the fifth Zn site, Zn(6) is bonded to one O(2,3,6,7) and three equivalent O(1) atoms to form corner-sharing ZnO4 tetrahedra. In the sixth Zn site, Zn(8) is bonded to one O(8) and three equivalent O(2,3,6,7) atoms to form corner-sharing ZnO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1) and three equivalent Zn(6) atoms to form OZn4 tetrahedra that share corners with three equivalent O(10)MgZn3 tetrahedra; corners with three equivalent O(2,3,6,7)Zn4 tetrahedra; and corners with six equivalent O(1)Zn4 tetrahedra. In the second O site, O(2,3,6,7) is bonded to four equivalent Zn(2,3,7) atoms to form corner-sharing OZn4 tetrahedra. In the third O site, O(4) is bonded to three equivalent Mg(1) and one Zn(4) atom to form OMg3Zn tetrahedra that share corners with three equivalent O(9)MgZn3 tetrahedra, corners with three equivalent O(8)Zn4 tetrahedra, and corners with six equivalent O(4)Mg3Zn tetrahedra. In the fourth O site, O(5) is bonded to three equivalent Mg(2) and one Zn(5) atom to form OMg3Zn tetrahedra that share corners with three equivalent O(10)MgZn3 tetrahedra, corners with three equivalent O(9)MgZn3 tetrahedra, and corners with six equivalent O(5)Mg3Zn tetrahedra. In the fifth O site, O(8) is bonded to one Zn(8) and three equivalent Zn(4) atoms to form OZn4 tetrahedra that share corners with three equivalent O(4)Mg3Zn tetrahedra; corners with three equivalent O(2,3,6,7)Zn4 tetrahedra; and corners with six equivalent O(8)Zn4 tetrahedra. In the sixth O site, O(9) is bonded to one Mg(1) and three equivalent Zn(5) atoms to form OMgZn3 tetrahedra that share corners with three equivalent O(4)Mg3Zn tetrahedra, corners with three equivalent O(5)Mg3Zn tetrahedra, and corners with six equivalent O(9)MgZn3 tetrahedra. In the seventh O site, O(10) is bonded to one Mg(2) and three equivalent Zn(1) atoms to form OMgZn3 tetrahedra that share corners with three equivalent O(5)Mg3Zn tetrahedra, corners with three equivalent O(1)Zn4 tetrahedra, and corners with six equivalent O(10)MgZn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.250
_cell_length_b   3.250
_cell_length_c   25.921
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   237.091
_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
  Mg  Mg0  1  0.333  0.667  0.276  1.0
  Mg  Mg1  1  0.333  0.667  0.078  1.0
  Zn  Zn2  1  0.000  1.000  0.977  1.0
  Zn  Zn3  1  0.000  1.000  0.776  1.0
  Zn  Zn4  1  0.000  1.000  0.576  1.0
  Zn  Zn5  1  1.000  0.000  0.375  1.0
  Zn  Zn6  1  1.000  0.000  0.176  1.0
  Zn  Zn7  1  0.333  0.667  0.877  1.0
  Zn  Zn8  1  0.333  0.667  0.676  1.0
  Zn  Zn9  1  0.333  0.667  0.475  1.0
  O  O10  1  1.000  0.000  0.900  1.0
  O  O11  1  0.000  1.000  0.700  1.0
  O  O12  1  0.000  1.000  0.499  1.0
  O  O13  1  1.000  0.000  0.298  1.0
  O  O14  1  1.000  0.000  0.100  1.0
  O  O15  1  0.333  0.667  0.800  1.0
  O  O16  1  0.333  0.667  0.599  1.0
  O  O17  1  0.333  0.667  0.399  1.0
  O  O18  1  0.333  0.667  0.200  1.0
  O  O19  1  0.333  0.667  0.001  1.0
[/CIF]
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The compound described by MgZn4O5 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(9) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(5)O4 tetrahedra, and corners with six equivalent Mg(1)O4 tetrahedra. In the second Mg site, Mg(2) is bonded to one O(10) and three equivalent O(5) atoms to form MgO4 tetrahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(5)O4 tetrahedra, and corners with six equivalent Mg(2)O4 tetrahedra. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1) and three equivalent O(10) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(2)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, and corners with six equivalent Zn(1)O4 tetrahedra. In the second Zn site, Zn(2,3,7) is bonded to four equivalent O(2,3,6,7) atoms to form corner-sharing ZnO4 tetrahedra. In the third Zn site, Zn(4) is bonded to one O(4) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(8)O4 tetrahedra, and corners with six equivalent Zn(4)O4 tetrahedra. In the fourth Zn site, Zn(5) is bonded to one O(5) and three equivalent O(9) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mg(2)O4 tetrahedra, and corners with six equivalent Zn(5)O4 tetrahedra. In the fifth Zn site, Zn(6) is bonded to one O(2,3,6,7) and three equivalent O(1) atoms to form corner-sharing ZnO4 tetrahedra. In the sixth Zn site, Zn(8) is bonded to one O(8) and three equivalent O(2,3,6,7) atoms to form corner-sharing ZnO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1) and three equivalent Zn(6) atoms to form OZn4 tetrahedra that share corners with three equivalent O(10)MgZn3 tetrahedra; corners with three equivalent O(2,3,6,7)Zn4 tetrahedra; and corners with six equivalent O(1)Zn4 tetrahedra. In the second O site, O(2,3,6,7) is bonded to four equivalent Zn(2,3,7) atoms to form corner-sharing OZn4 tetrahedra. In the third O site, O(4) is bonded to three equivalent Mg(1) and one Zn(4) atom to form OMg3Zn tetrahedra that share corners with three equivalent O(9)MgZn3 tetrahedra, corners with three equivalent O(8)Zn4 tetrahedra, and corners with six equivalent O(4)Mg3Zn tetrahedra. In the fourth O site, O(5) is bonded to three equivalent Mg(2) and one Zn(5) atom to form OMg3Zn tetrahedra that share corners with three equivalent O(10)MgZn3 tetrahedra, corners with three equivalent O(9)MgZn3 tetrahedra, and corners with six equivalent O(5)Mg3Zn tetrahedra. In the fifth O site, O(8) is bonded to one Zn(8) and three equivalent Zn(4) atoms to form OZn4 tetrahedra that share corners with three equivalent O(4)Mg3Zn tetrahedra; corners with three equivalent O(2,3,6,7)Zn4 tetrahedra; and corners with six equivalent O(8)Zn4 tetrahedra. In the sixth O site, O(9) is bonded to one Mg(1) and three equivalent Zn(5) atoms to form OMgZn3 tetrahedra that share corners with three equivalent O(4)Mg3Zn tetrahedra, corners with three equivalent O(5)Mg3Zn tetrahedra, and corners with six equivalent O(9)MgZn3 tetrahedra. In the seventh O site, O(10) is bonded to one Mg(2) and three equivalent Zn(1) atoms to form OMgZn3 tetrahedra that share corners with three equivalent O(5)Mg3Zn tetrahedra, corners with three equivalent O(1)Zn4 tetrahedra, and corners with six equivalent O(10)MgZn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.250
_cell_length_b   3.250
_cell_length_c   25.921
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   237.091
_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
  Mg  Mg0  1  0.333  0.667  0.276  1.0
  Mg  Mg1  1  0.333  0.667  0.078  1.0
  Zn  Zn2  1  0.000  1.000  0.977  1.0
  Zn  Zn3  1  0.000  1.000  0.776  1.0
  Zn  Zn4  1  0.000  1.000  0.576  1.0
  Zn  Zn5  1  1.000  0.000  0.375  1.0
  Zn  Zn6  1  1.000  0.000  0.176  1.0
  Zn  Zn7  1  0.333  0.667  0.877  1.0
  Zn  Zn8  1  0.333  0.667  0.676  1.0
  Zn  Zn9  1  0.333  0.667  0.475  1.0
  O  O10  1  1.000  0.000  0.900  1.0
  O  O11  1  0.000  1.000  0.700  1.0
  O  O12  1  0.000  1.000  0.499  1.0
  O  O13  1  1.000  0.000  0.298  1.0
  O  O14  1  1.000  0.000  0.100  1.0
  O  O15  1  0.333  0.667  0.800  1.0
  O  O16  1  0.333  0.667  0.599  1.0
  O  O17  1  0.333  0.667  0.399  1.0
  O  O18  1  0.333  0.667  0.200  1.0
  O  O19  1  0.333  0.667  0.001  1.0
[/CIF]
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