The compound described by FeZnSiO5 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and one O(9) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-48°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnFeSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.488
_cell_length_c   7.141
_cell_angle_alpha   108.696
_cell_angle_beta   108.541
_cell_angle_gamma   95.642
_symmetry_Int_Tables_number   1
_cell_volume   187.559
_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
  Zn  Zn0  1  0.839  0.700  0.231  1.0
  Zn  Zn1  1  0.164  0.283  0.721  1.0
  Fe  Fe2  1  0.506  0.995  0.487  1.0
  Fe  Fe3  1  0.504  0.996  0.987  1.0
  Si  Si4  1  0.142  0.335  0.232  1.0
  Si  Si5  1  0.870  0.659  0.742  1.0
  O  O6  1  0.257  0.231  0.043  1.0
  O  O7  1  0.226  0.195  0.408  1.0
  O  O8  1  0.755  0.760  0.932  1.0
  O  O9  1  0.789  0.805  0.571  1.0
  O  O10  1  0.794  0.331  0.627  1.0
  O  O11  1  0.196  0.683  0.834  1.0
  O  O12  1  0.214  0.663  0.343  1.0
  O  O13  1  0.815  0.306  0.138  1.0
  O  O14  1  0.430  0.076  0.737  1.0
  O  O15  1  0.580  0.915  0.235  1.0
[/CIF]
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The compound described by FeZnSiO5 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(7), and one O(8) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and one O(9) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-48°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one Si(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnFeSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.488
_cell_length_c   7.141
_cell_angle_alpha   108.696
_cell_angle_beta   108.541
_cell_angle_gamma   95.642
_symmetry_Int_Tables_number   1
_cell_volume   187.559
_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
  Zn  Zn0  1  0.839  0.700  0.231  1.0
  Zn  Zn1  1  0.164  0.283  0.721  1.0
  Fe  Fe2  1  0.506  0.995  0.487  1.0
  Fe  Fe3  1  0.504  0.996  0.987  1.0
  Si  Si4  1  0.142  0.335  0.232  1.0
  Si  Si5  1  0.870  0.659  0.742  1.0
  O  O6  1  0.257  0.231  0.043  1.0
  O  O7  1  0.226  0.195  0.408  1.0
  O  O8  1  0.755  0.760  0.932  1.0
  O  O9  1  0.789  0.805  0.571  1.0
  O  O10  1  0.794  0.331  0.627  1.0
  O  O11  1  0.196  0.683  0.834  1.0
  O  O12  1  0.214  0.663  0.343  1.0
  O  O13  1  0.815  0.306  0.138  1.0
  O  O14  1  0.430  0.076  0.737  1.0
  O  O15  1  0.580  0.915  0.235  1.0
[/CIF]
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