The crystal structure described by Cu3(PO3)8N2 crystallizes in the triclinic P-1 space group. The structure consists of two ammonia atoms inside a Cu3(PO3)8 framework. In the Cu3(PO3)8 framework, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(11), two equivalent O(5), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(10), one O(12), one O(6), one O(8), and one O(9) atom to form CuO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the second O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the sixth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the seventh O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the tenth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the eleventh O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(3) atom. In the twelfth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3P8(NO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.339
_cell_length_b   8.092
_cell_length_c   9.868
_cell_angle_alpha   68.997
_cell_angle_beta   69.244
_cell_angle_gamma   78.637
_symmetry_Int_Tables_number   1
_cell_volume   509.927
_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  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.628  0.051  0.597  1.0
  Cu  Cu2  1  0.372  0.949  0.403  1.0
  P  P3  1  0.625  0.382  0.293  1.0
  P  P4  1  0.375  0.618  0.707  1.0
  P  P5  1  0.269  0.343  0.235  1.0
  P  P6  1  0.731  0.657  0.765  1.0
  P  P7  1  0.053  0.204  0.561  1.0
  P  P8  1  0.947  0.796  0.439  1.0
  P  P9  1  0.261  0.267  0.758  1.0
  P  P10  1  0.739  0.733  0.242  1.0
  N  N11  1  0.721  0.148  0.952  1.0
  N  N12  1  0.279  0.852  0.048  1.0
  O  O13  1  0.451  0.442  0.217  1.0
  O  O14  1  0.549  0.558  0.783  1.0
  O  O15  1  0.114  0.354  0.394  1.0
  O  O16  1  0.886  0.646  0.606  1.0
  O  O17  1  0.128  0.289  0.655  1.0
  O  O18  1  0.872  0.711  0.345  1.0
  O  O19  1  0.374  0.447  0.663  1.0
  O  O20  1  0.626  0.553  0.337  1.0
  O  O21  1  0.818  0.343  0.183  1.0
  O  O22  1  0.182  0.657  0.817  1.0
  O  O23  1  0.544  0.234  0.440  1.0
  O  O24  1  0.456  0.766  0.560  1.0
  O  O25  1  0.197  0.456  0.105  1.0
  O  O26  1  0.803  0.544  0.895  1.0
  O  O27  1  0.328  0.150  0.243  1.0
  O  O28  1  0.672  0.850  0.757  1.0
  O  O29  1  0.169  0.027  0.555  1.0
  O  O30  1  0.831  0.973  0.445  1.0
  O  O31  1  0.838  0.206  0.621  1.0
  O  O32  1  0.162  0.794  0.379  1.0
  O  O33  1  0.140  0.268  0.916  1.0
  O  O34  1  0.860  0.732  0.084  1.0
  O  O35  1  0.411  0.108  0.754  1.0
  O  O36  1  0.589  0.892  0.246  1.0
[/CIF]
.
The crystal structure described by Cu3(PO3)8N2 crystallizes in the triclinic P-1 space group. The structure consists of two ammonia atoms inside a Cu3(PO3)8 framework. In the Cu3(PO3)8 framework, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(11), two equivalent O(5), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to one O(10), one O(12), one O(6), one O(8), and one O(9) atom to form CuO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the second O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the sixth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the seventh O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the tenth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) atom. In the eleventh O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(3) atom. In the twelfth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3P8(NO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.339
_cell_length_b   8.092
_cell_length_c   9.868
_cell_angle_alpha   68.997
_cell_angle_beta   69.244
_cell_angle_gamma   78.637
_symmetry_Int_Tables_number   1
_cell_volume   509.927
_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  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.628  0.051  0.597  1.0
  Cu  Cu2  1  0.372  0.949  0.403  1.0
  P  P3  1  0.625  0.382  0.293  1.0
  P  P4  1  0.375  0.618  0.707  1.0
  P  P5  1  0.269  0.343  0.235  1.0
  P  P6  1  0.731  0.657  0.765  1.0
  P  P7  1  0.053  0.204  0.561  1.0
  P  P8  1  0.947  0.796  0.439  1.0
  P  P9  1  0.261  0.267  0.758  1.0
  P  P10  1  0.739  0.733  0.242  1.0
  N  N11  1  0.721  0.148  0.952  1.0
  N  N12  1  0.279  0.852  0.048  1.0
  O  O13  1  0.451  0.442  0.217  1.0
  O  O14  1  0.549  0.558  0.783  1.0
  O  O15  1  0.114  0.354  0.394  1.0
  O  O16  1  0.886  0.646  0.606  1.0
  O  O17  1  0.128  0.289  0.655  1.0
  O  O18  1  0.872  0.711  0.345  1.0
  O  O19  1  0.374  0.447  0.663  1.0
  O  O20  1  0.626  0.553  0.337  1.0
  O  O21  1  0.818  0.343  0.183  1.0
  O  O22  1  0.182  0.657  0.817  1.0
  O  O23  1  0.544  0.234  0.440  1.0
  O  O24  1  0.456  0.766  0.560  1.0
  O  O25  1  0.197  0.456  0.105  1.0
  O  O26  1  0.803  0.544  0.895  1.0
  O  O27  1  0.328  0.150  0.243  1.0
  O  O28  1  0.672  0.850  0.757  1.0
  O  O29  1  0.169  0.027  0.555  1.0
  O  O30  1  0.831  0.973  0.445  1.0
  O  O31  1  0.838  0.206  0.621  1.0
  O  O32  1  0.162  0.794  0.379  1.0
  O  O33  1  0.140  0.268  0.916  1.0
  O  O34  1  0.860  0.732  0.084  1.0
  O  O35  1  0.411  0.108  0.754  1.0
  O  O36  1  0.589  0.892  0.246  1.0
[/CIF]
.