The material structure described by MnZnSiO5 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Zn(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mn(1), two equivalent Zn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_MnZnSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.285
_cell_length_c   7.088
_cell_angle_alpha   73.865
_cell_angle_beta   73.865
_cell_angle_gamma   101.613
_symmetry_Int_Tables_number   1
_cell_volume   174.171
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.833  0.167  0.750  1.0
  Zn  Zn3  1  0.167  0.833  0.250  1.0
  Si  Si4  1  0.179  0.821  0.750  1.0
  Si  Si5  1  0.821  0.179  0.250  1.0
  O  O6  1  0.386  0.804  0.884  1.0
  O  O7  1  0.196  0.614  0.616  1.0
  O  O8  1  0.614  0.196  0.116  1.0
  O  O9  1  0.804  0.386  0.384  1.0
  O  O10  1  0.775  0.853  0.407  1.0
  O  O11  1  0.147  0.225  0.093  1.0
  O  O12  1  0.225  0.147  0.593  1.0
  O  O13  1  0.853  0.775  0.907  1.0
  O  O14  1  0.414  0.586  0.250  1.0
  O  O15  1  0.586  0.414  0.750  1.0
[/CIF]
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The material structure described by MnZnSiO5 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Zn(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mn(1), two equivalent Zn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_MnZnSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   5.285
_cell_length_c   7.088
_cell_angle_alpha   73.865
_cell_angle_beta   73.865
_cell_angle_gamma   101.613
_symmetry_Int_Tables_number   1
_cell_volume   174.171
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.833  0.167  0.750  1.0
  Zn  Zn3  1  0.167  0.833  0.250  1.0
  Si  Si4  1  0.179  0.821  0.750  1.0
  Si  Si5  1  0.821  0.179  0.250  1.0
  O  O6  1  0.386  0.804  0.884  1.0
  O  O7  1  0.196  0.614  0.616  1.0
  O  O8  1  0.614  0.196  0.116  1.0
  O  O9  1  0.804  0.386  0.384  1.0
  O  O10  1  0.775  0.853  0.407  1.0
  O  O11  1  0.147  0.225  0.093  1.0
  O  O12  1  0.225  0.147  0.593  1.0
  O  O13  1  0.853  0.775  0.907  1.0
  O  O14  1  0.414  0.586  0.250  1.0
  O  O15  1  0.586  0.414  0.750  1.0
[/CIF]
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