The material structure described by MgSi4(MoO6)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Mo(2)O6 octahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mo(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-57°. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. There are six 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 3-coordinate geometry to one Mg(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mo(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(1), one Mo(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_MgSi4(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.472
_cell_length_b   6.788
_cell_length_c   6.788
_cell_angle_alpha   84.018
_cell_angle_beta   74.503
_cell_angle_gamma   74.501
_symmetry_Int_Tables_number   1
_cell_volume   234.003
_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  0.750  0.273  0.726  1.0
  Si  Si1  1  0.221  0.215  0.383  1.0
  Si  Si2  1  0.279  0.617  0.785  1.0
  Si  Si3  1  0.716  0.386  0.211  1.0
  Si  Si4  1  0.784  0.788  0.613  1.0
  Mo  Mo5  1  0.250  0.093  0.907  1.0
  Mo  Mo6  1  0.750  0.895  0.104  1.0
  O  O7  1  0.434  0.353  0.353  1.0
  O  O8  1  0.065  0.646  0.647  1.0
  O  O9  1  0.581  0.633  0.659  1.0
  O  O10  1  0.918  0.340  0.367  1.0
  O  O11  1  0.142  0.140  0.623  1.0
  O  O12  1  0.359  0.377  0.860  1.0
  O  O13  1  0.800  0.899  0.395  1.0
  O  O14  1  0.700  0.605  0.100  1.0
  O  O15  1  0.832  0.209  0.031  1.0
  O  O16  1  0.668  0.969  0.791  1.0
  O  O17  1  0.337  0.046  0.204  1.0
  O  O18  1  0.162  0.796  0.953  1.0
[/CIF]
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The material structure described by MgSi4(MoO6)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Mo(2)O6 octahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mo(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-57°. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-60°. There are six 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 3-coordinate geometry to one Mg(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mo(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(1), one Mo(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_MgSi4(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.472
_cell_length_b   6.788
_cell_length_c   6.788
_cell_angle_alpha   84.018
_cell_angle_beta   74.503
_cell_angle_gamma   74.501
_symmetry_Int_Tables_number   1
_cell_volume   234.003
_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  0.750  0.273  0.726  1.0
  Si  Si1  1  0.221  0.215  0.383  1.0
  Si  Si2  1  0.279  0.617  0.785  1.0
  Si  Si3  1  0.716  0.386  0.211  1.0
  Si  Si4  1  0.784  0.788  0.613  1.0
  Mo  Mo5  1  0.250  0.093  0.907  1.0
  Mo  Mo6  1  0.750  0.895  0.104  1.0
  O  O7  1  0.434  0.353  0.353  1.0
  O  O8  1  0.065  0.646  0.647  1.0
  O  O9  1  0.581  0.633  0.659  1.0
  O  O10  1  0.918  0.340  0.367  1.0
  O  O11  1  0.142  0.140  0.623  1.0
  O  O12  1  0.359  0.377  0.860  1.0
  O  O13  1  0.800  0.899  0.395  1.0
  O  O14  1  0.700  0.605  0.100  1.0
  O  O15  1  0.832  0.209  0.031  1.0
  O  O16  1  0.668  0.969  0.791  1.0
  O  O17  1  0.337  0.046  0.204  1.0
  O  O18  1  0.162  0.796  0.953  1.0
[/CIF]
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