The compound described by MgCuAl(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Al(1)O5 square pyramids and edges with two equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Al(1)O5 square pyramids and edges with two equivalent W(1)O6 octahedra. Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(7) atom. Al(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(8) atom to form distorted AlO5 square pyramids that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), one Cu(1), and one Al(1) atom. In the second O site, O(2) is bonded to one Mg(1), one W(1), one Cu(1), and one Al(1) atom to form corner-sharing OMgAlCuW tetrahedra. In the third O site, O(3) is bonded to one Mg(1), one W(1), one W(2), and one Cu(1) atom to form distorted corner-sharing OMgCuW2 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(2), and one Al(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one W(2), one Cu(1), and one Al(1) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one W(1), one W(2), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_MgAlCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.375
_cell_length_b   5.983
_cell_length_c   5.712
_cell_angle_alpha   102.851
_cell_angle_beta   122.241
_cell_angle_gamma   93.041
_symmetry_Int_Tables_number   1
_cell_volume   148.152
_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  0.900  0.852  0.710  1.0
  Al  Al1  1  0.609  0.656  0.022  1.0
  Cu  Cu2  1  0.256  0.453  0.258  1.0
  W  W3  1  0.861  0.343  0.568  1.0
  W  W4  1  0.341  0.056  0.586  1.0
  O  O5  1  0.182  0.622  0.851  1.0
  O  O6  1  0.645  0.564  0.335  1.0
  O  O7  1  0.170  0.154  0.821  1.0
  O  O8  1  0.592  0.036  0.409  1.0
  O  O9  1  0.610  0.865  0.827  1.0
  O  O10  1  0.033  0.797  0.308  1.0
  O  O11  1  0.053  0.264  0.359  1.0
  O  O12  1  0.645  0.385  0.809  1.0
[/CIF]
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The compound described by MgCuAl(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Al(1)O5 square pyramids and edges with two equivalent W(2)O6 octahedra. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent Al(1)O5 square pyramids and edges with two equivalent W(1)O6 octahedra. Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(7) atom. Al(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(8) atom to form distorted AlO5 square pyramids that share corners with three equivalent W(1)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), one Cu(1), and one Al(1) atom. In the second O site, O(2) is bonded to one Mg(1), one W(1), one Cu(1), and one Al(1) atom to form corner-sharing OMgAlCuW tetrahedra. In the third O site, O(3) is bonded to one Mg(1), one W(1), one W(2), and one Cu(1) atom to form distorted corner-sharing OMgCuW2 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(2), and one Al(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one W(2), one Cu(1), and one Al(1) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one W(1), one W(2), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Al(1) atom. is represented by the CIF card [CIF]
data_MgAlCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.375
_cell_length_b   5.983
_cell_length_c   5.712
_cell_angle_alpha   102.851
_cell_angle_beta   122.241
_cell_angle_gamma   93.041
_symmetry_Int_Tables_number   1
_cell_volume   148.152
_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  0.900  0.852  0.710  1.0
  Al  Al1  1  0.609  0.656  0.022  1.0
  Cu  Cu2  1  0.256  0.453  0.258  1.0
  W  W3  1  0.861  0.343  0.568  1.0
  W  W4  1  0.341  0.056  0.586  1.0
  O  O5  1  0.182  0.622  0.851  1.0
  O  O6  1  0.645  0.564  0.335  1.0
  O  O7  1  0.170  0.154  0.821  1.0
  O  O8  1  0.592  0.036  0.409  1.0
  O  O9  1  0.610  0.865  0.827  1.0
  O  O10  1  0.033  0.797  0.308  1.0
  O  O11  1  0.053  0.264  0.359  1.0
  O  O12  1  0.645  0.385  0.809  1.0
[/CIF]
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