The material described by Ca5W(N2O)2 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(2), two equivalent N(3), one O(1), and one O(2) atom. In the second Ca site, Ca(2) is bonded to four equivalent N(1), one O(1), and one O(2) atom to form CaN4O2 octahedra that share corners with two equivalent W(1)N4 tetrahedra, corners with three equivalent Ca(4)N4O trigonal bipyramids, edges with two equivalent Ca(2)N4O2 octahedra, edges with four equivalent Ca(3)N2O4 octahedra,  an edgeedge with one W(1)N4 tetrahedra, and  an edgeedge with one Ca(4)N4O trigonal bipyramid. In the third Ca site, Ca(3) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form CaN2O4 octahedra that share corners with two equivalent W(1)N4 tetrahedra, edges with two equivalent Ca(3)N2O4 octahedra, edges with four equivalent Ca(2)N4O2 octahedra, and edges with two equivalent Ca(4)N4O trigonal bipyramids. In the fourth Ca site, Ca(4) is bonded to one N(2), one N(3), two equivalent N(1), and one O(1) atom to form CaN4O trigonal bipyramids that share corners with three equivalent Ca(2)N4O2 octahedra, corners with four equivalent W(1)N4 tetrahedra,  an edgeedge with one Ca(2)N4O2 octahedra, and edges with two equivalent Ca(3)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. W(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form WN4 tetrahedra that share corners with two equivalent Ca(3)N2O4 octahedra, corners with two equivalent Ca(2)N4O2 octahedra, corners with four equivalent Ca(4)N4O trigonal bipyramids, and  an edgeedge with one Ca(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 14-74°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ca(1), one Ca(3), one Ca(4), two equivalent Ca(2), and one W(1) atom to form distorted NCa5W octahedra that share corners with three equivalent N(1)Ca5W octahedra,  a cornercorner with one O(2)Ca5 square pyramid, edges with two equivalent N(3)Ca5W octahedra, edges with three equivalent N(1)Ca5W octahedra, edges with three equivalent O(1)Ca6 octahedra, and edges with two equivalent O(2)Ca5 square pyramids. The corner-sharing octahedral tilt angles range from 0-10°. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ca(4), four equivalent Ca(1), and one W(1) atom. In the third N site, N(3) is bonded to one Ca(4), four equivalent Ca(1), and one W(1) atom to form NCa5W octahedra that share corners with three equivalent O(1)Ca6 octahedra, corners with two equivalent O(2)Ca5 square pyramids,  an edgeedge with one O(1)Ca6 octahedra, edges with two equivalent N(3)Ca5W octahedra, edges with four equivalent N(1)Ca5W octahedra, and  an edgeedge with one O(2)Ca5 square pyramid. The corner-sharing octahedral tilt angles range from 9-16°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one Ca(4), two equivalent Ca(1), and two equivalent Ca(3) atoms to form OCa6 octahedra that share corners with two equivalent O(1)Ca6 octahedra, corners with three equivalent N(3)Ca5W octahedra,  a cornercorner with one O(2)Ca5 square pyramid,  an edgeedge with one N(3)Ca5W octahedra, edges with six equivalent N(1)Ca5W octahedra, and edges with three equivalent O(2)Ca5 square pyramids. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and two equivalent Ca(3) atoms to form distorted OCa5 square pyramids that share  a cornercorner with one O(1)Ca6 octahedra, corners with two equivalent N(1)Ca5W octahedra, corners with two equivalent N(3)Ca5W octahedra, corners with two equivalent O(2)Ca5 square pyramids,  an edgeedge with one N(3)Ca5W octahedra, edges with three equivalent O(1)Ca6 octahedra, and edges with four equivalent N(1)Ca5W octahedra. The corner-sharing octahedral tilt angles range from 1-86°. is represented by the CIF file [CIF]
data_Ca5W(N2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.797
_cell_length_b   6.148
_cell_length_c   8.527
_cell_angle_alpha   89.181
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.310
_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  0.489  0.271  0.333  1.0
  Ca  Ca1  1  0.750  0.498  0.017  1.0
  Ca  Ca2  1  0.511  0.729  0.667  1.0
  Ca  Ca3  1  0.250  0.502  0.983  1.0
  Ca  Ca4  1  0.500  0.000  0.000  1.0
  Ca  Ca5  1  0.750  0.806  0.330  1.0
  Ca  Ca6  1  0.000  0.000  0.000  1.0
  Ca  Ca7  1  0.011  0.271  0.333  1.0
  Ca  Ca8  1  0.989  0.729  0.667  1.0
  Ca  Ca9  1  0.250  0.194  0.670  1.0
  W  W10  1  0.750  0.279  0.677  1.0
  W  W11  1  0.250  0.721  0.323  1.0
  N  N12  1  0.976  0.333  0.809  1.0
  N  N13  1  0.750  0.022  0.556  1.0
  N  N14  1  0.476  0.667  0.191  1.0
  N  N15  1  0.250  0.978  0.444  1.0
  N  N16  1  0.524  0.333  0.809  1.0
  N  N17  1  0.024  0.667  0.191  1.0
  N  N18  1  0.250  0.498  0.477  1.0
  N  N19  1  0.750  0.502  0.523  1.0
  O  O20  1  0.750  0.153  0.172  1.0
  O  O21  1  0.250  0.195  0.126  1.0
  O  O22  1  0.750  0.805  0.874  1.0
  O  O23  1  0.250  0.847  0.828  1.0
[/CIF]
.
The material described by Ca5W(N2O)2 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(2), two equivalent N(3), one O(1), and one O(2) atom. In the second Ca site, Ca(2) is bonded to four equivalent N(1), one O(1), and one O(2) atom to form CaN4O2 octahedra that share corners with two equivalent W(1)N4 tetrahedra, corners with three equivalent Ca(4)N4O trigonal bipyramids, edges with two equivalent Ca(2)N4O2 octahedra, edges with four equivalent Ca(3)N2O4 octahedra,  an edgeedge with one W(1)N4 tetrahedra, and  an edgeedge with one Ca(4)N4O trigonal bipyramid. In the third Ca site, Ca(3) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form CaN2O4 octahedra that share corners with two equivalent W(1)N4 tetrahedra, edges with two equivalent Ca(3)N2O4 octahedra, edges with four equivalent Ca(2)N4O2 octahedra, and edges with two equivalent Ca(4)N4O trigonal bipyramids. In the fourth Ca site, Ca(4) is bonded to one N(2), one N(3), two equivalent N(1), and one O(1) atom to form CaN4O trigonal bipyramids that share corners with three equivalent Ca(2)N4O2 octahedra, corners with four equivalent W(1)N4 tetrahedra,  an edgeedge with one Ca(2)N4O2 octahedra, and edges with two equivalent Ca(3)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. W(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form WN4 tetrahedra that share corners with two equivalent Ca(3)N2O4 octahedra, corners with two equivalent Ca(2)N4O2 octahedra, corners with four equivalent Ca(4)N4O trigonal bipyramids, and  an edgeedge with one Ca(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 14-74°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ca(1), one Ca(3), one Ca(4), two equivalent Ca(2), and one W(1) atom to form distorted NCa5W octahedra that share corners with three equivalent N(1)Ca5W octahedra,  a cornercorner with one O(2)Ca5 square pyramid, edges with two equivalent N(3)Ca5W octahedra, edges with three equivalent N(1)Ca5W octahedra, edges with three equivalent O(1)Ca6 octahedra, and edges with two equivalent O(2)Ca5 square pyramids. The corner-sharing octahedral tilt angles range from 0-10°. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ca(4), four equivalent Ca(1), and one W(1) atom. In the third N site, N(3) is bonded to one Ca(4), four equivalent Ca(1), and one W(1) atom to form NCa5W octahedra that share corners with three equivalent O(1)Ca6 octahedra, corners with two equivalent O(2)Ca5 square pyramids,  an edgeedge with one O(1)Ca6 octahedra, edges with two equivalent N(3)Ca5W octahedra, edges with four equivalent N(1)Ca5W octahedra, and  an edgeedge with one O(2)Ca5 square pyramid. The corner-sharing octahedral tilt angles range from 9-16°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one Ca(4), two equivalent Ca(1), and two equivalent Ca(3) atoms to form OCa6 octahedra that share corners with two equivalent O(1)Ca6 octahedra, corners with three equivalent N(3)Ca5W octahedra,  a cornercorner with one O(2)Ca5 square pyramid,  an edgeedge with one N(3)Ca5W octahedra, edges with six equivalent N(1)Ca5W octahedra, and edges with three equivalent O(2)Ca5 square pyramids. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and two equivalent Ca(3) atoms to form distorted OCa5 square pyramids that share  a cornercorner with one O(1)Ca6 octahedra, corners with two equivalent N(1)Ca5W octahedra, corners with two equivalent N(3)Ca5W octahedra, corners with two equivalent O(2)Ca5 square pyramids,  an edgeedge with one N(3)Ca5W octahedra, edges with three equivalent O(1)Ca6 octahedra, and edges with four equivalent N(1)Ca5W octahedra. The corner-sharing octahedral tilt angles range from 1-86°. is represented by the CIF file [CIF]
data_Ca5W(N2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.797
_cell_length_b   6.148
_cell_length_c   8.527
_cell_angle_alpha   89.181
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.310
_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  0.489  0.271  0.333  1.0
  Ca  Ca1  1  0.750  0.498  0.017  1.0
  Ca  Ca2  1  0.511  0.729  0.667  1.0
  Ca  Ca3  1  0.250  0.502  0.983  1.0
  Ca  Ca4  1  0.500  0.000  0.000  1.0
  Ca  Ca5  1  0.750  0.806  0.330  1.0
  Ca  Ca6  1  0.000  0.000  0.000  1.0
  Ca  Ca7  1  0.011  0.271  0.333  1.0
  Ca  Ca8  1  0.989  0.729  0.667  1.0
  Ca  Ca9  1  0.250  0.194  0.670  1.0
  W  W10  1  0.750  0.279  0.677  1.0
  W  W11  1  0.250  0.721  0.323  1.0
  N  N12  1  0.976  0.333  0.809  1.0
  N  N13  1  0.750  0.022  0.556  1.0
  N  N14  1  0.476  0.667  0.191  1.0
  N  N15  1  0.250  0.978  0.444  1.0
  N  N16  1  0.524  0.333  0.809  1.0
  N  N17  1  0.024  0.667  0.191  1.0
  N  N18  1  0.250  0.498  0.477  1.0
  N  N19  1  0.750  0.502  0.523  1.0
  O  O20  1  0.750  0.153  0.172  1.0
  O  O21  1  0.250  0.195  0.126  1.0
  O  O22  1  0.750  0.805  0.874  1.0
  O  O23  1  0.250  0.847  0.828  1.0
[/CIF]
.