The material described by Mg(SiO2)5 is Low Tridymite-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure consists of one 7439-95-4 atom inside a SiO2 framework. In the SiO2 framework, there are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to four equivalent O(1) atoms to form corner-sharing SiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Mg(SiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.959
_cell_length_b   6.959
_cell_length_c   6.473
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.469
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Si  Si1  1  0.269  0.000  0.119  1.0
  Si  Si2  1  0.000  0.731  0.881  1.0
  Si  Si3  1  0.000  0.269  0.881  1.0
  Si  Si4  1  0.731  0.000  0.119  1.0
  Si  Si5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.192  0.000  0.357  1.0
  O  O7  1  0.000  0.808  0.643  1.0
  O  O8  1  0.000  0.192  0.643  1.0
  O  O9  1  0.808  0.000  0.357  1.0
  O  O10  1  0.192  0.192  0.000  1.0
  O  O11  1  0.192  0.808  0.000  1.0
  O  O12  1  0.808  0.192  0.000  1.0
  O  O13  1  0.808  0.808  0.000  1.0
  O  O14  1  0.500  0.000  0.120  1.0
  O  O15  1  0.000  0.500  0.880  1.0
[/CIF]
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The material described by Mg(SiO2)5 is Low Tridymite-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure consists of one 7439-95-4 atom inside a SiO2 framework. In the SiO2 framework, there are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to four equivalent O(1) atoms to form corner-sharing SiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Mg(SiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.959
_cell_length_b   6.959
_cell_length_c   6.473
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.469
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Si  Si1  1  0.269  0.000  0.119  1.0
  Si  Si2  1  0.000  0.731  0.881  1.0
  Si  Si3  1  0.000  0.269  0.881  1.0
  Si  Si4  1  0.731  0.000  0.119  1.0
  Si  Si5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.192  0.000  0.357  1.0
  O  O7  1  0.000  0.808  0.643  1.0
  O  O8  1  0.000  0.192  0.643  1.0
  O  O9  1  0.808  0.000  0.357  1.0
  O  O10  1  0.192  0.192  0.000  1.0
  O  O11  1  0.192  0.808  0.000  1.0
  O  O12  1  0.808  0.192  0.000  1.0
  O  O13  1  0.808  0.808  0.000  1.0
  O  O14  1  0.500  0.000  0.120  1.0
  O  O15  1  0.000  0.500  0.880  1.0
[/CIF]
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