The structure described by Ca3W3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one N(4), two equivalent N(1), and two equivalent N(5) atoms. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are three inequivalent W sites. In the first W site, W(1) is bonded in a distorted see-saw-like geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second W site, W(2) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(4) atoms. In the third W site, W(3) is bonded in a trigonal pyramidal geometry to one N(1), one N(2), one N(4), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Ca(3), two equivalent Ca(2), one W(1), one W(2), and one W(3) atom to form NCa3W3 octahedra that share corners with two equivalent N(3)Ca3W2 trigonal bipyramids, corners with three equivalent N(4)Ca2W3 trigonal bipyramids, corners with two equivalent N(2)Ca3W trigonal pyramids,  an edgeedge with one N(1)Ca3W3 octahedra,  an edgeedge with one N(4)Ca2W3 trigonal bipyramid, and  an edgeedge with one N(3)Ca3W2 trigonal bipyramid. In the second N site, N(2) is bonded to one Ca(3), two equivalent Ca(1), and one W(3) atom to form distorted NCa3W trigonal pyramids that share corners with two equivalent N(1)Ca3W3 octahedra,  a cornercorner with one N(4)Ca2W3 trigonal bipyramid, corners with four equivalent N(3)Ca3W2 trigonal bipyramids,  an edgeedge with one N(4)Ca2W3 trigonal bipyramid, and  an edgeedge with one N(2)Ca3W trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-62°. In the third N site, N(3) is bonded to one Ca(1), two equivalent Ca(3), and two equivalent W(1) atoms to form NCa3W2 trigonal bipyramids that share corners with two equivalent N(1)Ca3W3 octahedra,  a cornercorner with one N(4)Ca2W3 trigonal bipyramid, corners with four equivalent N(2)Ca3W trigonal pyramids,  an edgeedge with one N(1)Ca3W3 octahedra, and edges with two equivalent N(3)Ca3W2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-46°. In the fourth N site, N(4) is bonded to one Ca(1), one Ca(2), one W(3), and two equivalent W(2) atoms to form NCa2W3 trigonal bipyramids that share corners with three equivalent N(1)Ca3W3 octahedra,  a cornercorner with one N(3)Ca3W2 trigonal bipyramid,  a cornercorner with one N(2)Ca3W trigonal pyramid,  an edgeedge with one N(1)Ca3W3 octahedra,  an edgeedge with one N(4)Ca2W3 trigonal bipyramid, and  an edgeedge with one N(2)Ca3W trigonal pyramid. The corner-sharing octahedral tilt angles range from 14-64°. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one W(1), and one W(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3W3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   8.211
_cell_length_c   8.295
_cell_angle_alpha   109.809
_cell_angle_beta   102.776
_cell_angle_gamma   103.557
_symmetry_Int_Tables_number   1
_cell_volume   336.857
_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  0.795  0.445  0.621  1.0
  Ca  Ca1  1  0.205  0.555  0.379  1.0
  Ca  Ca2  1  0.651  0.875  0.890  1.0
  Ca  Ca3  1  0.349  0.125  0.110  1.0
  Ca  Ca4  1  0.670  0.678  0.211  1.0
  Ca  Ca5  1  0.330  0.322  0.789  1.0
  W  W6  1  0.891  0.307  0.963  1.0
  W  W7  1  0.109  0.693  0.037  1.0
  W  W8  1  0.740  0.055  0.628  1.0
  W  W9  1  0.260  0.945  0.372  1.0
  W  W10  1  0.057  0.864  0.651  1.0
  W  W11  1  0.943  0.136  0.349  1.0
  N  N12  1  0.037  0.088  0.848  1.0
  N  N13  1  0.963  0.912  0.152  1.0
  N  N14  1  0.815  0.641  0.483  1.0
  N  N15  1  0.185  0.359  0.517  1.0
  N  N16  1  0.749  0.506  0.933  1.0
  N  N17  1  0.251  0.494  0.067  1.0
  N  N18  1  0.396  0.896  0.600  1.0
  N  N19  1  0.604  0.104  0.400  1.0
  N  N20  1  0.188  0.782  0.863  1.0
  N  N21  1  0.812  0.218  0.137  1.0
[/CIF]
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The structure described by Ca3W3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one N(4), two equivalent N(1), and two equivalent N(5) atoms. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are three inequivalent W sites. In the first W site, W(1) is bonded in a distorted see-saw-like geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second W site, W(2) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(4) atoms. In the third W site, W(3) is bonded in a trigonal pyramidal geometry to one N(1), one N(2), one N(4), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Ca(3), two equivalent Ca(2), one W(1), one W(2), and one W(3) atom to form NCa3W3 octahedra that share corners with two equivalent N(3)Ca3W2 trigonal bipyramids, corners with three equivalent N(4)Ca2W3 trigonal bipyramids, corners with two equivalent N(2)Ca3W trigonal pyramids,  an edgeedge with one N(1)Ca3W3 octahedra,  an edgeedge with one N(4)Ca2W3 trigonal bipyramid, and  an edgeedge with one N(3)Ca3W2 trigonal bipyramid. In the second N site, N(2) is bonded to one Ca(3), two equivalent Ca(1), and one W(3) atom to form distorted NCa3W trigonal pyramids that share corners with two equivalent N(1)Ca3W3 octahedra,  a cornercorner with one N(4)Ca2W3 trigonal bipyramid, corners with four equivalent N(3)Ca3W2 trigonal bipyramids,  an edgeedge with one N(4)Ca2W3 trigonal bipyramid, and  an edgeedge with one N(2)Ca3W trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-62°. In the third N site, N(3) is bonded to one Ca(1), two equivalent Ca(3), and two equivalent W(1) atoms to form NCa3W2 trigonal bipyramids that share corners with two equivalent N(1)Ca3W3 octahedra,  a cornercorner with one N(4)Ca2W3 trigonal bipyramid, corners with four equivalent N(2)Ca3W trigonal pyramids,  an edgeedge with one N(1)Ca3W3 octahedra, and edges with two equivalent N(3)Ca3W2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-46°. In the fourth N site, N(4) is bonded to one Ca(1), one Ca(2), one W(3), and two equivalent W(2) atoms to form NCa2W3 trigonal bipyramids that share corners with three equivalent N(1)Ca3W3 octahedra,  a cornercorner with one N(3)Ca3W2 trigonal bipyramid,  a cornercorner with one N(2)Ca3W trigonal pyramid,  an edgeedge with one N(1)Ca3W3 octahedra,  an edgeedge with one N(4)Ca2W3 trigonal bipyramid, and  an edgeedge with one N(2)Ca3W trigonal pyramid. The corner-sharing octahedral tilt angles range from 14-64°. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one W(1), and one W(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3W3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   8.211
_cell_length_c   8.295
_cell_angle_alpha   109.809
_cell_angle_beta   102.776
_cell_angle_gamma   103.557
_symmetry_Int_Tables_number   1
_cell_volume   336.857
_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  0.795  0.445  0.621  1.0
  Ca  Ca1  1  0.205  0.555  0.379  1.0
  Ca  Ca2  1  0.651  0.875  0.890  1.0
  Ca  Ca3  1  0.349  0.125  0.110  1.0
  Ca  Ca4  1  0.670  0.678  0.211  1.0
  Ca  Ca5  1  0.330  0.322  0.789  1.0
  W  W6  1  0.891  0.307  0.963  1.0
  W  W7  1  0.109  0.693  0.037  1.0
  W  W8  1  0.740  0.055  0.628  1.0
  W  W9  1  0.260  0.945  0.372  1.0
  W  W10  1  0.057  0.864  0.651  1.0
  W  W11  1  0.943  0.136  0.349  1.0
  N  N12  1  0.037  0.088  0.848  1.0
  N  N13  1  0.963  0.912  0.152  1.0
  N  N14  1  0.815  0.641  0.483  1.0
  N  N15  1  0.185  0.359  0.517  1.0
  N  N16  1  0.749  0.506  0.933  1.0
  N  N17  1  0.251  0.494  0.067  1.0
  N  N18  1  0.396  0.896  0.600  1.0
  N  N19  1  0.604  0.104  0.400  1.0
  N  N20  1  0.188  0.782  0.863  1.0
  N  N21  1  0.812  0.218  0.137  1.0
[/CIF]
.