The compound described by Mg6WBO8 crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. W(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. B(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one W(1) atom to form OMg5W octahedra that share corners with six equivalent O(1)Mg5W octahedra, edges with four equivalent O(3)Mg2B2W2 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Mg(2) and four equivalent Mg(3) atoms to form OMg5 square pyramids that share corners with four equivalent O(3)Mg2B2W2 octahedra, corners with five equivalent O(2)Mg5 square pyramids, edges with four equivalent O(1)Mg5W octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles are 87°. In the third O site, O(3) is bonded to two equivalent Mg(3), two equivalent W(1), and two equivalent B(1) atoms to form OMg2B2W2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Mg2B2W2 octahedra, corners with four equivalent O(2)Mg5 square pyramids, edges with four equivalent O(3)Mg2B2W2 octahedra, and edges with four equivalent O(1)Mg5W octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Mg2B2W2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)Mg5W octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Mg6BWO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.761
_cell_length_b   4.322
_cell_length_c   4.322
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.626
_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  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.254  0.000  0.500  1.0
  Mg  Mg3  1  0.746  0.000  0.500  1.0
  Mg  Mg4  1  0.254  0.500  0.000  1.0
  Mg  Mg5  1  0.746  0.500  0.000  1.0
  B  B6  1  0.000  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.251  0.000  0.000  1.0
  O  O9  1  0.749  0.000  0.000  1.0
  O  O10  1  0.268  0.500  0.500  1.0
  O  O11  1  0.732  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Mg6WBO8 crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. W(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. B(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), four equivalent Mg(3), and one W(1) atom to form OMg5W octahedra that share corners with six equivalent O(1)Mg5W octahedra, edges with four equivalent O(3)Mg2B2W2 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Mg(2) and four equivalent Mg(3) atoms to form OMg5 square pyramids that share corners with four equivalent O(3)Mg2B2W2 octahedra, corners with five equivalent O(2)Mg5 square pyramids, edges with four equivalent O(1)Mg5W octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles are 87°. In the third O site, O(3) is bonded to two equivalent Mg(3), two equivalent W(1), and two equivalent B(1) atoms to form OMg2B2W2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Mg2B2W2 octahedra, corners with four equivalent O(2)Mg5 square pyramids, edges with four equivalent O(3)Mg2B2W2 octahedra, and edges with four equivalent O(1)Mg5W octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Mg2B2W2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)Mg5W octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Mg6BWO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.761
_cell_length_b   4.322
_cell_length_c   4.322
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.626
_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  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.254  0.000  0.500  1.0
  Mg  Mg3  1  0.746  0.000  0.500  1.0
  Mg  Mg4  1  0.254  0.500  0.000  1.0
  Mg  Mg5  1  0.746  0.500  0.000  1.0
  B  B6  1  0.000  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.251  0.000  0.000  1.0
  O  O9  1  0.749  0.000  0.000  1.0
  O  O10  1  0.268  0.500  0.500  1.0
  O  O11  1  0.732  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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