The material described by Ca4W5Si6O17 crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(7), two equivalent O(2), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one W(1), one O(2), one O(4), two equivalent O(5), and two equivalent O(7) atoms. There are four inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one Ca(2), one W(2), one W(3), one W(4), one O(6), and one O(8) atom. In the second W site, W(2) is bonded in a water-like geometry to two equivalent W(1) and two equivalent O(3) atoms. In the third W site, W(3) is bonded in an L-shaped geometry to two equivalent W(1) and two equivalent O(3) atoms. In the fourth W site, W(4) is bonded in a 6-coordinate geometry to two equivalent W(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form corner-sharing SiO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one W(2), one W(3), and one Si(2) atom. In the third O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the fourth O site, O(5) is bonded to one Ca(1), two equivalent Ca(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCa3Si trigonal pyramids. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one W(1), one Si(1), and one Si(2) atom. In the sixth O site, O(7) is bonded to one Ca(1), two equivalent Ca(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCa3Si tetrahedra. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one W(1), one Si(2), and one Si(3) atom. In the eighth O site, O(9) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the ninth O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. is represented by the CIF file [CIF]
data_Ca4Si6W5O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.788
_cell_length_b   6.803
_cell_length_c   12.114
_cell_angle_alpha   73.692
_cell_angle_beta   83.807
_cell_angle_gamma   67.406
_symmetry_Int_Tables_number   1
_cell_volume   495.686
_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
  Ca  Ca0  1  0.183  0.982  0.404  1.0
  Ca  Ca1  1  0.183  0.386  0.596  1.0
  Ca  Ca2  1  0.689  0.899  0.569  1.0
  Ca  Ca3  1  0.689  0.467  0.431  1.0
  Si  Si4  1  0.224  0.807  0.678  1.0
  Si  Si5  1  0.224  0.485  0.322  1.0
  Si  Si6  1  0.005  0.940  0.136  1.0
  Si  Si7  1  0.005  0.076  0.864  1.0
  Si  Si8  1  0.641  0.072  0.312  1.0
  Si  Si9  1  0.641  0.384  0.688  1.0
  W  W10  1  0.726  0.784  0.849  1.0
  W  W11  1  0.726  0.633  0.151  1.0
  W  W12  1  0.022  0.398  0.000  1.0
  W  W13  1  0.429  0.038  0.000  1.0
  W  W14  1  0.493  0.494  0.000  1.0
  O  O15  1  0.422  0.295  0.272  1.0
  O  O16  1  0.422  0.567  0.728  1.0
  O  O17  1  0.309  0.993  0.596  1.0
  O  O18  1  0.309  0.589  0.404  1.0
  O  O19  1  0.140  0.087  0.149  1.0
  O  O20  1  0.140  0.235  0.851  1.0
  O  O21  1  0.062  0.765  0.606  1.0
  O  O22  1  0.062  0.371  0.394  1.0
  O  O23  1  0.793  0.110  0.393  1.0
  O  O24  1  0.793  0.503  0.607  1.0
  O  O25  1  0.110  0.880  0.797  1.0
  O  O26  1  0.110  0.677  0.203  1.0
  O  O27  1  0.570  0.869  0.385  1.0
  O  O28  1  0.570  0.254  0.615  1.0
  O  O29  1  0.764  0.026  0.191  1.0
  O  O30  1  0.764  0.216  0.809  1.0
  O  O31  1  0.980  0.957  0.000  1.0
[/CIF]
.
The material described by Ca4W5Si6O17 crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(7), two equivalent O(2), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one W(1), one O(2), one O(4), two equivalent O(5), and two equivalent O(7) atoms. There are four inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one Ca(2), one W(2), one W(3), one W(4), one O(6), and one O(8) atom. In the second W site, W(2) is bonded in a water-like geometry to two equivalent W(1) and two equivalent O(3) atoms. In the third W site, W(3) is bonded in an L-shaped geometry to two equivalent W(1) and two equivalent O(3) atoms. In the fourth W site, W(4) is bonded in a 6-coordinate geometry to two equivalent W(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form corner-sharing SiO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one W(2), one W(3), and one Si(2) atom. In the third O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the fourth O site, O(5) is bonded to one Ca(1), two equivalent Ca(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCa3Si trigonal pyramids. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one W(1), one Si(1), and one Si(2) atom. In the sixth O site, O(7) is bonded to one Ca(1), two equivalent Ca(2), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OCa3Si tetrahedra. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one W(1), one Si(2), and one Si(3) atom. In the eighth O site, O(9) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the ninth O site, O(1) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. is represented by the CIF file [CIF]
data_Ca4Si6W5O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.788
_cell_length_b   6.803
_cell_length_c   12.114
_cell_angle_alpha   73.692
_cell_angle_beta   83.807
_cell_angle_gamma   67.406
_symmetry_Int_Tables_number   1
_cell_volume   495.686
_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
  Ca  Ca0  1  0.183  0.982  0.404  1.0
  Ca  Ca1  1  0.183  0.386  0.596  1.0
  Ca  Ca2  1  0.689  0.899  0.569  1.0
  Ca  Ca3  1  0.689  0.467  0.431  1.0
  Si  Si4  1  0.224  0.807  0.678  1.0
  Si  Si5  1  0.224  0.485  0.322  1.0
  Si  Si6  1  0.005  0.940  0.136  1.0
  Si  Si7  1  0.005  0.076  0.864  1.0
  Si  Si8  1  0.641  0.072  0.312  1.0
  Si  Si9  1  0.641  0.384  0.688  1.0
  W  W10  1  0.726  0.784  0.849  1.0
  W  W11  1  0.726  0.633  0.151  1.0
  W  W12  1  0.022  0.398  0.000  1.0
  W  W13  1  0.429  0.038  0.000  1.0
  W  W14  1  0.493  0.494  0.000  1.0
  O  O15  1  0.422  0.295  0.272  1.0
  O  O16  1  0.422  0.567  0.728  1.0
  O  O17  1  0.309  0.993  0.596  1.0
  O  O18  1  0.309  0.589  0.404  1.0
  O  O19  1  0.140  0.087  0.149  1.0
  O  O20  1  0.140  0.235  0.851  1.0
  O  O21  1  0.062  0.765  0.606  1.0
  O  O22  1  0.062  0.371  0.394  1.0
  O  O23  1  0.793  0.110  0.393  1.0
  O  O24  1  0.793  0.503  0.607  1.0
  O  O25  1  0.110  0.880  0.797  1.0
  O  O26  1  0.110  0.677  0.203  1.0
  O  O27  1  0.570  0.869  0.385  1.0
  O  O28  1  0.570  0.254  0.615  1.0
  O  O29  1  0.764  0.026  0.191  1.0
  O  O30  1  0.764  0.216  0.809  1.0
  O  O31  1  0.980  0.957  0.000  1.0
[/CIF]
.