The material described by Sr7PbN6 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing SrN4 trigonal pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Pb(1) atom to form a mixture of distorted edge, face, and corner-sharing NSr5Pb octahedra. The corner-sharing octahedral tilt angles range from 42-66°. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1) and four equivalent Sr(2) atoms. is represented by the CIF file [CIF]
data_Sr7PbN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   9.898
_cell_length_c   9.898
_cell_angle_alpha   79.378
_cell_angle_beta   69.756
_cell_angle_gamma   69.756
_symmetry_Int_Tables_number   1
_cell_volume   589.088
_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
  Sr  Sr0  1  0.282  0.950  0.050  1.0
  Sr  Sr1  1  0.718  0.050  0.950  1.0
  Sr  Sr2  1  0.218  0.450  0.550  1.0
  Sr  Sr3  1  0.782  0.550  0.450  1.0
  Sr  Sr4  1  0.762  0.153  0.590  1.0
  Sr  Sr5  1  0.496  0.590  0.153  1.0
  Sr  Sr6  1  0.738  0.910  0.347  1.0
  Sr  Sr7  1  0.004  0.347  0.910  1.0
  Sr  Sr8  1  0.238  0.847  0.410  1.0
  Sr  Sr9  1  0.504  0.410  0.847  1.0
  Sr  Sr10  1  0.262  0.090  0.653  1.0
  Sr  Sr11  1  0.996  0.653  0.090  1.0
  Sr  Sr12  1  0.250  0.250  0.250  1.0
  Sr  Sr13  1  0.750  0.750  0.750  1.0
  Pb  Pb14  1  0.750  0.250  0.250  1.0
  Pb  Pb15  1  0.250  0.750  0.750  1.0
  N  N16  1  0.024  0.063  0.294  1.0
  N  N17  1  0.619  0.294  0.063  1.0
  N  N18  1  0.476  0.206  0.437  1.0
  N  N19  1  0.881  0.437  0.206  1.0
  N  N20  1  0.976  0.937  0.706  1.0
  N  N21  1  0.381  0.706  0.937  1.0
  N  N22  1  0.524  0.794  0.563  1.0
  N  N23  1  0.119  0.563  0.794  1.0
  N  N24  1  0.883  0.350  0.650  1.0
  N  N25  1  0.117  0.650  0.350  1.0
  N  N26  1  0.617  0.850  0.150  1.0
  N  N27  1  0.383  0.150  0.850  1.0
[/CIF]
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The material described by Sr7PbN6 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing SrN4 trigonal pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Pb(1) atom to form a mixture of distorted edge, face, and corner-sharing NSr5Pb octahedra. The corner-sharing octahedral tilt angles range from 42-66°. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1) and four equivalent Sr(2) atoms. is represented by the CIF file [CIF]
data_Sr7PbN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   9.898
_cell_length_c   9.898
_cell_angle_alpha   79.378
_cell_angle_beta   69.756
_cell_angle_gamma   69.756
_symmetry_Int_Tables_number   1
_cell_volume   589.088
_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
  Sr  Sr0  1  0.282  0.950  0.050  1.0
  Sr  Sr1  1  0.718  0.050  0.950  1.0
  Sr  Sr2  1  0.218  0.450  0.550  1.0
  Sr  Sr3  1  0.782  0.550  0.450  1.0
  Sr  Sr4  1  0.762  0.153  0.590  1.0
  Sr  Sr5  1  0.496  0.590  0.153  1.0
  Sr  Sr6  1  0.738  0.910  0.347  1.0
  Sr  Sr7  1  0.004  0.347  0.910  1.0
  Sr  Sr8  1  0.238  0.847  0.410  1.0
  Sr  Sr9  1  0.504  0.410  0.847  1.0
  Sr  Sr10  1  0.262  0.090  0.653  1.0
  Sr  Sr11  1  0.996  0.653  0.090  1.0
  Sr  Sr12  1  0.250  0.250  0.250  1.0
  Sr  Sr13  1  0.750  0.750  0.750  1.0
  Pb  Pb14  1  0.750  0.250  0.250  1.0
  Pb  Pb15  1  0.250  0.750  0.750  1.0
  N  N16  1  0.024  0.063  0.294  1.0
  N  N17  1  0.619  0.294  0.063  1.0
  N  N18  1  0.476  0.206  0.437  1.0
  N  N19  1  0.881  0.437  0.206  1.0
  N  N20  1  0.976  0.937  0.706  1.0
  N  N21  1  0.381  0.706  0.937  1.0
  N  N22  1  0.524  0.794  0.563  1.0
  N  N23  1  0.119  0.563  0.794  1.0
  N  N24  1  0.883  0.350  0.650  1.0
  N  N25  1  0.117  0.650  0.350  1.0
  N  N26  1  0.617  0.850  0.150  1.0
  N  N27  1  0.383  0.150  0.850  1.0
[/CIF]
.