The material described by CsP4N7 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 9-coordinate geometry to one N(1), four equivalent N(2), and four equivalent N(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing PN4 tetrahedra. In the second P site, P(2) is bonded to one N(2), one N(3), and two equivalent N(4) atoms to form corner-sharing PN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one P(1), and one P(2) atom. In the second N site, N(4) is bonded in a trigonal planar geometry to one P(1) and two equivalent P(2) atoms. In the third N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent P(1) atoms. In the fourth N site, N(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_CsP4N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.758
_cell_length_b   10.095
_cell_length_c   12.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.622
_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
  Cs  Cs0  1  0.726  0.857  0.250  1.0
  Cs  Cs1  1  0.774  0.357  0.250  1.0
  Cs  Cs2  1  0.274  0.143  0.750  1.0
  Cs  Cs3  1  0.226  0.643  0.750  1.0
  P  P4  1  0.216  0.588  0.129  1.0
  P  P5  1  0.284  0.088  0.371  1.0
  P  P6  1  0.784  0.412  0.629  1.0
  P  P7  1  0.716  0.912  0.871  1.0
  P  P8  1  0.784  0.412  0.871  1.0
  P  P9  1  0.716  0.912  0.629  1.0
  P  P10  1  0.216  0.588  0.371  1.0
  P  P11  1  0.284  0.088  0.129  1.0
  P  P12  1  0.227  0.842  0.999  1.0
  P  P13  1  0.273  0.342  0.501  1.0
  P  P14  1  0.773  0.158  0.499  1.0
  P  P15  1  0.727  0.658  0.001  1.0
  P  P16  1  0.773  0.158  0.001  1.0
  P  P17  1  0.727  0.658  0.499  1.0
  P  P18  1  0.227  0.842  0.501  1.0
  P  P19  1  0.273  0.342  0.999  1.0
  N  N20  1  0.297  0.620  0.250  1.0
  N  N21  1  0.203  0.120  0.250  1.0
  N  N22  1  0.703  0.380  0.750  1.0
  N  N23  1  0.797  0.880  0.750  1.0
  N  N24  1  0.891  0.620  0.106  1.0
  N  N25  1  0.609  0.120  0.394  1.0
  N  N26  1  0.109  0.380  0.606  1.0
  N  N27  1  0.391  0.880  0.894  1.0
  N  N28  1  0.109  0.380  0.894  1.0
  N  N29  1  0.391  0.880  0.606  1.0
  N  N30  1  0.891  0.620  0.394  1.0
  N  N31  1  0.609  0.120  0.106  1.0
  N  N32  1  0.189  0.941  0.096  1.0
  N  N33  1  0.311  0.441  0.404  1.0
  N  N34  1  0.811  0.059  0.596  1.0
  N  N35  1  0.689  0.559  0.904  1.0
  N  N36  1  0.811  0.059  0.904  1.0
  N  N37  1  0.689  0.559  0.596  1.0
  N  N38  1  0.189  0.941  0.404  1.0
  N  N39  1  0.311  0.441  0.096  1.0
  N  N40  1  0.391  0.700  0.045  1.0
  N  N41  1  0.109  0.200  0.455  1.0
  N  N42  1  0.609  0.300  0.545  1.0
  N  N43  1  0.891  0.800  0.955  1.0
  N  N44  1  0.609  0.300  0.955  1.0
  N  N45  1  0.891  0.800  0.545  1.0
  N  N46  1  0.391  0.700  0.455  1.0
  N  N47  1  0.109  0.200  0.045  1.0
[/CIF]
.
The material described by CsP4N7 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 9-coordinate geometry to one N(1), four equivalent N(2), and four equivalent N(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing PN4 tetrahedra. In the second P site, P(2) is bonded to one N(2), one N(3), and two equivalent N(4) atoms to form corner-sharing PN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one P(1), and one P(2) atom. In the second N site, N(4) is bonded in a trigonal planar geometry to one P(1) and two equivalent P(2) atoms. In the third N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent P(1) atoms. In the fourth N site, N(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one P(2) atom. is represented by the CIF card [CIF]
data_CsP4N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.758
_cell_length_b   10.095
_cell_length_c   12.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.622
_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
  Cs  Cs0  1  0.726  0.857  0.250  1.0
  Cs  Cs1  1  0.774  0.357  0.250  1.0
  Cs  Cs2  1  0.274  0.143  0.750  1.0
  Cs  Cs3  1  0.226  0.643  0.750  1.0
  P  P4  1  0.216  0.588  0.129  1.0
  P  P5  1  0.284  0.088  0.371  1.0
  P  P6  1  0.784  0.412  0.629  1.0
  P  P7  1  0.716  0.912  0.871  1.0
  P  P8  1  0.784  0.412  0.871  1.0
  P  P9  1  0.716  0.912  0.629  1.0
  P  P10  1  0.216  0.588  0.371  1.0
  P  P11  1  0.284  0.088  0.129  1.0
  P  P12  1  0.227  0.842  0.999  1.0
  P  P13  1  0.273  0.342  0.501  1.0
  P  P14  1  0.773  0.158  0.499  1.0
  P  P15  1  0.727  0.658  0.001  1.0
  P  P16  1  0.773  0.158  0.001  1.0
  P  P17  1  0.727  0.658  0.499  1.0
  P  P18  1  0.227  0.842  0.501  1.0
  P  P19  1  0.273  0.342  0.999  1.0
  N  N20  1  0.297  0.620  0.250  1.0
  N  N21  1  0.203  0.120  0.250  1.0
  N  N22  1  0.703  0.380  0.750  1.0
  N  N23  1  0.797  0.880  0.750  1.0
  N  N24  1  0.891  0.620  0.106  1.0
  N  N25  1  0.609  0.120  0.394  1.0
  N  N26  1  0.109  0.380  0.606  1.0
  N  N27  1  0.391  0.880  0.894  1.0
  N  N28  1  0.109  0.380  0.894  1.0
  N  N29  1  0.391  0.880  0.606  1.0
  N  N30  1  0.891  0.620  0.394  1.0
  N  N31  1  0.609  0.120  0.106  1.0
  N  N32  1  0.189  0.941  0.096  1.0
  N  N33  1  0.311  0.441  0.404  1.0
  N  N34  1  0.811  0.059  0.596  1.0
  N  N35  1  0.689  0.559  0.904  1.0
  N  N36  1  0.811  0.059  0.904  1.0
  N  N37  1  0.689  0.559  0.596  1.0
  N  N38  1  0.189  0.941  0.404  1.0
  N  N39  1  0.311  0.441  0.096  1.0
  N  N40  1  0.391  0.700  0.045  1.0
  N  N41  1  0.109  0.200  0.455  1.0
  N  N42  1  0.609  0.300  0.545  1.0
  N  N43  1  0.891  0.800  0.955  1.0
  N  N44  1  0.609  0.300  0.955  1.0
  N  N45  1  0.891  0.800  0.545  1.0
  N  N46  1  0.391  0.700  0.455  1.0
  N  N47  1  0.109  0.200  0.045  1.0
[/CIF]
.