The crystal structure described by (Cu7S4)2N2 crystallizes in the triclinic P1 space group. The structure consists of one ammonia atom inside a Cu7S4 framework. In the Cu7S4 framework, there are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(4) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(4) and two equivalent S(2) atoms. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(1) atoms. In the fifth Cu site, Cu(5) is bonded in a 3-coordinate geometry to one S(2), one S(4), and two equivalent S(1) atoms. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one S(2), one S(3), and two equivalent S(4) atoms. In the seventh Cu site, Cu(7) is bonded in a 3-coordinate geometry to one S(1), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(7), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(5), one Cu(6), and two equivalent Cu(3) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cu(4), one Cu(6), one Cu(7), and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one Cu(3), one Cu(5), one Cu(7), two equivalent Cu(2), and two equivalent Cu(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu7S4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.780
_cell_length_b   7.399
_cell_length_c   7.442
_cell_angle_alpha   84.433
_cell_angle_beta   75.362
_cell_angle_gamma   75.639
_symmetry_Int_Tables_number   1
_cell_volume   194.948
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.223  0.168  0.873  1.0
  Cu  Cu1  1  0.252  0.832  0.126  1.0
  Cu  Cu2  1  0.641  0.121  0.151  1.0
  Cu  Cu3  1  0.900  0.897  0.854  1.0
  Cu  Cu4  1  0.937  0.579  0.012  1.0
  Cu  Cu5  1  0.064  0.076  0.403  1.0
  Cu  Cu6  1  0.539  0.914  0.608  1.0
  S  S7  1  0.483  0.680  0.846  1.0
  S  S8  1  0.048  0.301  0.153  1.0
  S  S9  1  0.805  0.174  0.690  1.0
  S  S10  1  0.658  0.832  0.312  1.0
  N  N11  1  0.248  0.500  0.502  1.0
[/CIF]
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The crystal structure described by (Cu7S4)2N2 crystallizes in the triclinic P1 space group. The structure consists of one ammonia atom inside a Cu7S4 framework. In the Cu7S4 framework, there are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(4) atoms. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(4) and two equivalent S(2) atoms. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one S(3) and two equivalent S(1) atoms. In the fifth Cu site, Cu(5) is bonded in a 3-coordinate geometry to one S(2), one S(4), and two equivalent S(1) atoms. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one S(2), one S(3), and two equivalent S(4) atoms. In the seventh Cu site, Cu(7) is bonded in a 3-coordinate geometry to one S(1), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(7), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(5), one Cu(6), and two equivalent Cu(3) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cu(4), one Cu(6), one Cu(7), and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one Cu(3), one Cu(5), one Cu(7), two equivalent Cu(2), and two equivalent Cu(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu7S4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.780
_cell_length_b   7.399
_cell_length_c   7.442
_cell_angle_alpha   84.433
_cell_angle_beta   75.362
_cell_angle_gamma   75.639
_symmetry_Int_Tables_number   1
_cell_volume   194.948
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.223  0.168  0.873  1.0
  Cu  Cu1  1  0.252  0.832  0.126  1.0
  Cu  Cu2  1  0.641  0.121  0.151  1.0
  Cu  Cu3  1  0.900  0.897  0.854  1.0
  Cu  Cu4  1  0.937  0.579  0.012  1.0
  Cu  Cu5  1  0.064  0.076  0.403  1.0
  Cu  Cu6  1  0.539  0.914  0.608  1.0
  S  S7  1  0.483  0.680  0.846  1.0
  S  S8  1  0.048  0.301  0.153  1.0
  S  S9  1  0.805  0.174  0.690  1.0
  S  S10  1  0.658  0.832  0.312  1.0
  N  N11  1  0.248  0.500  0.502  1.0
[/CIF]
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