The material structure described by MgFeSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-64°. Fe(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Fe(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_MgFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.818
_cell_length_b   6.145
_cell_length_c   10.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.380
_cell_formula_units_Z   4
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  0.500  1.000  0.500  1.0
  Mg  Mg1  1  1.000  0.500  1.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  1.000  1.000  1.000  1.0
  Fe  Fe4  1  0.512  0.250  0.778  1.0
  Fe  Fe5  1  0.988  0.250  0.278  1.0
  Fe  Fe6  1  0.488  0.750  0.222  1.0
  Fe  Fe7  1  0.012  0.750  0.722  1.0
  Si  Si8  1  0.927  0.750  0.407  1.0
  Si  Si9  1  0.573  0.750  0.907  1.0
  Si  Si10  1  0.073  0.250  0.593  1.0
  Si  Si11  1  0.427  0.250  0.093  1.0
  O  O12  1  0.265  0.750  0.413  1.0
  O  O13  1  0.235  0.750  0.913  1.0
  O  O14  1  0.735  0.250  0.587  1.0
  O  O15  1  0.765  0.250  0.087  1.0
  O  O16  1  0.728  0.750  0.049  1.0
  O  O17  1  0.772  0.750  0.549  1.0
  O  O18  1  0.272  0.250  0.951  1.0
  O  O19  1  0.228  0.250  0.451  1.0
  O  O20  1  0.783  0.965  0.338  1.0
  O  O21  1  0.717  0.535  0.838  1.0
  O  O22  1  0.217  0.465  0.662  1.0
  O  O23  1  0.283  0.035  0.162  1.0
  O  O24  1  0.217  0.035  0.662  1.0
  O  O25  1  0.283  0.465  0.162  1.0
  O  O26  1  0.783  0.535  0.338  1.0
  O  O27  1  0.717  0.965  0.838  1.0
[/CIF]
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The material structure described by MgFeSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-64°. Fe(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Fe(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_MgFeSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.818
_cell_length_b   6.145
_cell_length_c   10.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.380
_cell_formula_units_Z   4
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  0.500  1.000  0.500  1.0
  Mg  Mg1  1  1.000  0.500  1.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  1.000  1.000  1.000  1.0
  Fe  Fe4  1  0.512  0.250  0.778  1.0
  Fe  Fe5  1  0.988  0.250  0.278  1.0
  Fe  Fe6  1  0.488  0.750  0.222  1.0
  Fe  Fe7  1  0.012  0.750  0.722  1.0
  Si  Si8  1  0.927  0.750  0.407  1.0
  Si  Si9  1  0.573  0.750  0.907  1.0
  Si  Si10  1  0.073  0.250  0.593  1.0
  Si  Si11  1  0.427  0.250  0.093  1.0
  O  O12  1  0.265  0.750  0.413  1.0
  O  O13  1  0.235  0.750  0.913  1.0
  O  O14  1  0.735  0.250  0.587  1.0
  O  O15  1  0.765  0.250  0.087  1.0
  O  O16  1  0.728  0.750  0.049  1.0
  O  O17  1  0.772  0.750  0.549  1.0
  O  O18  1  0.272  0.250  0.951  1.0
  O  O19  1  0.228  0.250  0.451  1.0
  O  O20  1  0.783  0.965  0.338  1.0
  O  O21  1  0.717  0.535  0.838  1.0
  O  O22  1  0.217  0.465  0.662  1.0
  O  O23  1  0.283  0.035  0.162  1.0
  O  O24  1  0.217  0.035  0.662  1.0
  O  O25  1  0.283  0.465  0.162  1.0
  O  O26  1  0.783  0.535  0.338  1.0
  O  O27  1  0.717  0.965  0.838  1.0
[/CIF]
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