The structure described by Ca3(RhN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Rh(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing RhN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Ca(2), four equivalent Ca(1), and two equivalent Rh(1) atoms. In the second N site, N(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing NCa4Rh2 pentagonal pyramids. is represented by the CIF file [CIF]
data_Ca3(RhN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.944
_cell_length_b   8.801
_cell_length_c   5.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.259
_cell_angle_gamma   129.328
_symmetry_Int_Tables_number   1
_cell_volume   255.814
_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  0.236  0.976  0.044  1.0
  Ca  Ca1  1  0.764  0.740  0.456  1.0
  Ca  Ca2  1  0.764  0.024  0.956  1.0
  Ca  Ca3  1  0.236  0.260  0.544  1.0
  Ca  Ca4  1  0.000  0.597  0.750  1.0
  Ca  Ca5  1  0.000  0.403  0.250  1.0
  Rh  Rh6  1  0.568  0.163  0.589  1.0
  Rh  Rh7  1  0.432  0.595  0.911  1.0
  Rh  Rh8  1  0.432  0.837  0.411  1.0
  Rh  Rh9  1  0.568  0.405  0.089  1.0
  N  N10  1  0.217  0.939  0.519  1.0
  N  N11  1  0.783  0.723  0.981  1.0
  N  N12  1  0.783  0.061  0.481  1.0
  N  N13  1  0.217  0.277  0.019  1.0
  N  N14  1  0.685  0.263  0.937  1.0
  N  N15  1  0.315  0.578  0.563  1.0
  N  N16  1  0.315  0.737  0.063  1.0
  N  N17  1  0.685  0.422  0.437  1.0
[/CIF]
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The structure described by Ca3(RhN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Rh(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing RhN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Ca(2), four equivalent Ca(1), and two equivalent Rh(1) atoms. In the second N site, N(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing NCa4Rh2 pentagonal pyramids. is represented by the CIF file [CIF]
data_Ca3(RhN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.944
_cell_length_b   8.801
_cell_length_c   5.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.259
_cell_angle_gamma   129.328
_symmetry_Int_Tables_number   1
_cell_volume   255.814
_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  0.236  0.976  0.044  1.0
  Ca  Ca1  1  0.764  0.740  0.456  1.0
  Ca  Ca2  1  0.764  0.024  0.956  1.0
  Ca  Ca3  1  0.236  0.260  0.544  1.0
  Ca  Ca4  1  0.000  0.597  0.750  1.0
  Ca  Ca5  1  0.000  0.403  0.250  1.0
  Rh  Rh6  1  0.568  0.163  0.589  1.0
  Rh  Rh7  1  0.432  0.595  0.911  1.0
  Rh  Rh8  1  0.432  0.837  0.411  1.0
  Rh  Rh9  1  0.568  0.405  0.089  1.0
  N  N10  1  0.217  0.939  0.519  1.0
  N  N11  1  0.783  0.723  0.981  1.0
  N  N12  1  0.783  0.061  0.481  1.0
  N  N13  1  0.217  0.277  0.019  1.0
  N  N14  1  0.685  0.263  0.937  1.0
  N  N15  1  0.315  0.578  0.563  1.0
  N  N16  1  0.315  0.737  0.063  1.0
  N  N17  1  0.685  0.422  0.437  1.0
[/CIF]
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