The structure described by Ca4Al6WO16 crystallizes in the orthorhombic Aem2 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. W(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(5) and two equivalent O(7) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(4), one O(6), one O(8), and one O(9) atom to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to two equivalent O(6) and two equivalent O(9) atoms to form corner-sharing AlO4 tetrahedra. In the third Al site, Al(3) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form corner-sharing AlO4 tetrahedra. In the fourth Al site, Al(4) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted corner-sharing AlO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), one Al(3), and one Al(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(3), and one Al(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(3) and two equivalent Al(3) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ca(1), one Ca(2), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(2), one Al(1), and one Al(2) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Ca(3) and one W(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Al(1), and one Al(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ca(1), one Al(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_Ca4Al6WO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.078
_cell_length_b   8.078
_cell_length_c   13.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.885
_symmetry_Int_Tables_number   1
_cell_volume   808.443
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.417  0.917  0.045  1.0
  Ca  Ca1  1  0.832  0.769  0.253  1.0
  Ca  Ca2  1  0.332  0.269  0.747  1.0
  Ca  Ca3  1  0.917  0.417  0.955  1.0
  Ca  Ca4  1  0.269  0.332  0.253  1.0
  Ca  Ca5  1  0.472  0.972  0.483  1.0
  Ca  Ca6  1  0.972  0.472  0.517  1.0
  Ca  Ca7  1  0.769  0.832  0.747  1.0
  Al  Al8  1  0.612  0.359  0.124  1.0
  Al  Al9  1  0.359  0.612  0.876  1.0
  Al  Al10  1  0.112  0.859  0.876  1.0
  Al  Al11  1  0.733  0.733  0.000  1.0
  Al  Al12  1  0.134  0.880  0.631  1.0
  Al  Al13  1  0.758  0.758  0.500  1.0
  Al  Al14  1  0.634  0.380  0.369  1.0
  Al  Al15  1  0.233  0.233  0.000  1.0
  Al  Al16  1  0.859  0.112  0.124  1.0
  Al  Al17  1  0.880  0.134  0.369  1.0
  Al  Al18  1  0.380  0.634  0.631  1.0
  Al  Al19  1  0.258  0.258  0.500  1.0
  W  W20  1  0.755  0.255  0.730  1.0
  W  W21  1  0.255  0.755  0.270  1.0
  O  O22  1  0.904  0.787  0.602  1.0
  O  O23  1  0.774  0.575  0.434  1.0
  O  O24  1  0.575  0.774  0.566  1.0
  O  O25  1  0.211  0.711  0.604  1.0
  O  O26  1  0.787  0.904  0.398  1.0
  O  O27  1  0.173  0.673  0.900  1.0
  O  O28  1  0.845  0.134  0.815  1.0
  O  O29  1  0.345  0.634  0.185  1.0
  O  O30  1  0.877  0.778  0.895  1.0
  O  O31  1  0.274  0.075  0.566  1.0
  O  O32  1  0.287  0.404  0.602  1.0
  O  O33  1  0.404  0.287  0.398  1.0
  O  O34  1  0.342  0.676  0.385  1.0
  O  O35  1  0.278  0.377  0.895  1.0
  O  O36  1  0.673  0.173  0.100  1.0
  O  O37  1  0.778  0.877  0.105  1.0
  O  O38  1  0.647  0.451  0.245  1.0
  O  O39  1  0.147  0.951  0.755  1.0
  O  O40  1  0.634  0.345  0.815  1.0
  O  O41  1  0.531  0.745  0.956  1.0
  O  O42  1  0.842  0.176  0.615  1.0
  O  O43  1  0.676  0.342  0.615  1.0
  O  O44  1  0.377  0.278  0.105  1.0
  O  O45  1  0.245  0.031  0.956  1.0
  O  O46  1  0.451  0.647  0.755  1.0
  O  O47  1  0.031  0.245  0.044  1.0
  O  O48  1  0.951  0.147  0.245  1.0
  O  O49  1  0.176  0.842  0.385  1.0
  O  O50  1  0.134  0.845  0.185  1.0
  O  O51  1  0.075  0.274  0.434  1.0
  O  O52  1  0.711  0.211  0.396  1.0
  O  O53  1  0.745  0.531  0.044  1.0
[/CIF]
.
The structure described by Ca4Al6WO16 crystallizes in the orthorhombic Aem2 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. W(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(5) and two equivalent O(7) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(4), one O(6), one O(8), and one O(9) atom to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to two equivalent O(6) and two equivalent O(9) atoms to form corner-sharing AlO4 tetrahedra. In the third Al site, Al(3) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form corner-sharing AlO4 tetrahedra. In the fourth Al site, Al(4) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted corner-sharing AlO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), one Al(3), and one Al(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(3), and one Al(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(3) and two equivalent Al(3) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ca(1), one Ca(2), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(2), one Al(1), and one Al(2) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Ca(3) and one W(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Al(1), and one Al(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ca(1), one Al(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_Ca4Al6WO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.078
_cell_length_b   8.078
_cell_length_c   13.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.885
_symmetry_Int_Tables_number   1
_cell_volume   808.443
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.417  0.917  0.045  1.0
  Ca  Ca1  1  0.832  0.769  0.253  1.0
  Ca  Ca2  1  0.332  0.269  0.747  1.0
  Ca  Ca3  1  0.917  0.417  0.955  1.0
  Ca  Ca4  1  0.269  0.332  0.253  1.0
  Ca  Ca5  1  0.472  0.972  0.483  1.0
  Ca  Ca6  1  0.972  0.472  0.517  1.0
  Ca  Ca7  1  0.769  0.832  0.747  1.0
  Al  Al8  1  0.612  0.359  0.124  1.0
  Al  Al9  1  0.359  0.612  0.876  1.0
  Al  Al10  1  0.112  0.859  0.876  1.0
  Al  Al11  1  0.733  0.733  0.000  1.0
  Al  Al12  1  0.134  0.880  0.631  1.0
  Al  Al13  1  0.758  0.758  0.500  1.0
  Al  Al14  1  0.634  0.380  0.369  1.0
  Al  Al15  1  0.233  0.233  0.000  1.0
  Al  Al16  1  0.859  0.112  0.124  1.0
  Al  Al17  1  0.880  0.134  0.369  1.0
  Al  Al18  1  0.380  0.634  0.631  1.0
  Al  Al19  1  0.258  0.258  0.500  1.0
  W  W20  1  0.755  0.255  0.730  1.0
  W  W21  1  0.255  0.755  0.270  1.0
  O  O22  1  0.904  0.787  0.602  1.0
  O  O23  1  0.774  0.575  0.434  1.0
  O  O24  1  0.575  0.774  0.566  1.0
  O  O25  1  0.211  0.711  0.604  1.0
  O  O26  1  0.787  0.904  0.398  1.0
  O  O27  1  0.173  0.673  0.900  1.0
  O  O28  1  0.845  0.134  0.815  1.0
  O  O29  1  0.345  0.634  0.185  1.0
  O  O30  1  0.877  0.778  0.895  1.0
  O  O31  1  0.274  0.075  0.566  1.0
  O  O32  1  0.287  0.404  0.602  1.0
  O  O33  1  0.404  0.287  0.398  1.0
  O  O34  1  0.342  0.676  0.385  1.0
  O  O35  1  0.278  0.377  0.895  1.0
  O  O36  1  0.673  0.173  0.100  1.0
  O  O37  1  0.778  0.877  0.105  1.0
  O  O38  1  0.647  0.451  0.245  1.0
  O  O39  1  0.147  0.951  0.755  1.0
  O  O40  1  0.634  0.345  0.815  1.0
  O  O41  1  0.531  0.745  0.956  1.0
  O  O42  1  0.842  0.176  0.615  1.0
  O  O43  1  0.676  0.342  0.615  1.0
  O  O44  1  0.377  0.278  0.105  1.0
  O  O45  1  0.245  0.031  0.956  1.0
  O  O46  1  0.451  0.647  0.755  1.0
  O  O47  1  0.031  0.245  0.044  1.0
  O  O48  1  0.951  0.147  0.245  1.0
  O  O49  1  0.176  0.842  0.385  1.0
  O  O50  1  0.134  0.845  0.185  1.0
  O  O51  1  0.075  0.274  0.434  1.0
  O  O52  1  0.711  0.211  0.396  1.0
  O  O53  1  0.745  0.531  0.044  1.0
[/CIF]
.