The compound described by Ca3(WN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second W site, W(2) is bonded in a distorted see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ca(2), two equivalent Ca(1), one W(1), and one W(2) atom to form distorted NCa3W2 trigonal bipyramids that share corners with six equivalent N(2)Ca4W2 octahedra, corners with three equivalent N(1)Ca3W2 trigonal bipyramids, edges with three equivalent N(2)Ca4W2 octahedra, and  an edgeedge with one N(1)Ca3W2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-68°. In the second N site, N(2) is bonded to one Ca(2), three equivalent Ca(1), one W(1), and one W(2) atom to form NCa4W2 octahedra that share corners with four equivalent N(2)Ca4W2 octahedra, corners with six equivalent N(1)Ca3W2 trigonal bipyramids,  an edgeedge with one N(2)Ca4W2 octahedra, edges with three equivalent N(1)Ca3W2 trigonal bipyramids, and  a faceface with one N(2)Ca4W2 octahedra. The corner-sharing octahedral tilt angles range from 27-66°. is represented by the CIF card [CIF]
data_Ca3(WN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   10.064
_cell_length_c   9.322
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   563.986
_cell_formula_units_Z   4
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  0.613  0.157  0.424  1.0
  Ca  Ca1  1  0.887  0.843  0.424  1.0
  Ca  Ca2  1  0.613  0.343  0.076  1.0
  Ca  Ca3  1  0.887  0.657  0.076  1.0
  Ca  Ca4  1  0.387  0.843  0.576  1.0
  Ca  Ca5  1  0.113  0.157  0.576  1.0
  Ca  Ca6  1  0.387  0.657  0.924  1.0
  Ca  Ca7  1  0.113  0.343  0.924  1.0
  Ca  Ca8  1  0.750  0.500  0.392  1.0
  Ca  Ca9  1  0.750  0.000  0.108  1.0
  Ca  Ca10  1  0.250  0.500  0.608  1.0
  Ca  Ca11  1  0.250  0.000  0.892  1.0
  W  W12  1  0.750  0.500  0.727  1.0
  W  W13  1  0.750  0.000  0.773  1.0
  W  W14  1  0.250  0.500  0.273  1.0
  W  W15  1  0.250  0.000  0.227  1.0
  W  W16  1  0.573  0.250  0.750  1.0
  W  W17  1  0.927  0.750  0.750  1.0
  W  W18  1  0.427  0.750  0.250  1.0
  W  W19  1  0.073  0.250  0.250  1.0
  N  N20  1  0.757  0.337  0.599  1.0
  N  N21  1  0.743  0.663  0.599  1.0
  N  N22  1  0.757  0.163  0.901  1.0
  N  N23  1  0.743  0.837  0.901  1.0
  N  N24  1  0.243  0.663  0.401  1.0
  N  N25  1  0.257  0.337  0.401  1.0
  N  N26  1  0.243  0.837  0.099  1.0
  N  N27  1  0.257  0.163  0.099  1.0
  N  N28  1  0.493  0.432  0.842  1.0
  N  N29  1  0.007  0.568  0.842  1.0
  N  N30  1  0.493  0.068  0.658  1.0
  N  N31  1  0.007  0.932  0.658  1.0
  N  N32  1  0.507  0.568  0.158  1.0
  N  N33  1  0.993  0.432  0.158  1.0
  N  N34  1  0.507  0.932  0.342  1.0
  N  N35  1  0.993  0.068  0.342  1.0
[/CIF]
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The compound described by Ca3(WN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second W site, W(2) is bonded in a distorted see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ca(2), two equivalent Ca(1), one W(1), and one W(2) atom to form distorted NCa3W2 trigonal bipyramids that share corners with six equivalent N(2)Ca4W2 octahedra, corners with three equivalent N(1)Ca3W2 trigonal bipyramids, edges with three equivalent N(2)Ca4W2 octahedra, and  an edgeedge with one N(1)Ca3W2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-68°. In the second N site, N(2) is bonded to one Ca(2), three equivalent Ca(1), one W(1), and one W(2) atom to form NCa4W2 octahedra that share corners with four equivalent N(2)Ca4W2 octahedra, corners with six equivalent N(1)Ca3W2 trigonal bipyramids,  an edgeedge with one N(2)Ca4W2 octahedra, edges with three equivalent N(1)Ca3W2 trigonal bipyramids, and  a faceface with one N(2)Ca4W2 octahedra. The corner-sharing octahedral tilt angles range from 27-66°. is represented by the CIF card [CIF]
data_Ca3(WN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.011
_cell_length_b   10.064
_cell_length_c   9.322
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   563.986
_cell_formula_units_Z   4
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  0.613  0.157  0.424  1.0
  Ca  Ca1  1  0.887  0.843  0.424  1.0
  Ca  Ca2  1  0.613  0.343  0.076  1.0
  Ca  Ca3  1  0.887  0.657  0.076  1.0
  Ca  Ca4  1  0.387  0.843  0.576  1.0
  Ca  Ca5  1  0.113  0.157  0.576  1.0
  Ca  Ca6  1  0.387  0.657  0.924  1.0
  Ca  Ca7  1  0.113  0.343  0.924  1.0
  Ca  Ca8  1  0.750  0.500  0.392  1.0
  Ca  Ca9  1  0.750  0.000  0.108  1.0
  Ca  Ca10  1  0.250  0.500  0.608  1.0
  Ca  Ca11  1  0.250  0.000  0.892  1.0
  W  W12  1  0.750  0.500  0.727  1.0
  W  W13  1  0.750  0.000  0.773  1.0
  W  W14  1  0.250  0.500  0.273  1.0
  W  W15  1  0.250  0.000  0.227  1.0
  W  W16  1  0.573  0.250  0.750  1.0
  W  W17  1  0.927  0.750  0.750  1.0
  W  W18  1  0.427  0.750  0.250  1.0
  W  W19  1  0.073  0.250  0.250  1.0
  N  N20  1  0.757  0.337  0.599  1.0
  N  N21  1  0.743  0.663  0.599  1.0
  N  N22  1  0.757  0.163  0.901  1.0
  N  N23  1  0.743  0.837  0.901  1.0
  N  N24  1  0.243  0.663  0.401  1.0
  N  N25  1  0.257  0.337  0.401  1.0
  N  N26  1  0.243  0.837  0.099  1.0
  N  N27  1  0.257  0.163  0.099  1.0
  N  N28  1  0.493  0.432  0.842  1.0
  N  N29  1  0.007  0.568  0.842  1.0
  N  N30  1  0.493  0.068  0.658  1.0
  N  N31  1  0.007  0.932  0.658  1.0
  N  N32  1  0.507  0.568  0.158  1.0
  N  N33  1  0.993  0.432  0.158  1.0
  N  N34  1  0.507  0.932  0.342  1.0
  N  N35  1  0.993  0.068  0.342  1.0
[/CIF]
.