The compound described by CsZn3(PO4)3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(3)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with three equivalent Zn(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. In the third P site, P(3) is bonded to one O(12), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Zn(2)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(3), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zn(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one P(3) atom. is represented by the CIF card [CIF]
data_CsZn3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.269
_cell_length_b   8.203
_cell_length_c   15.155
_cell_angle_alpha   95.323
_cell_angle_beta   89.976
_cell_angle_gamma   108.194
_symmetry_Int_Tables_number   1
_cell_volume   619.324
_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
  Cs  Cs0  1  0.790  0.094  0.745  1.0
  Cs  Cs1  1  0.210  0.906  0.255  1.0
  Zn  Zn2  1  0.512  0.580  0.862  1.0
  Zn  Zn3  1  0.488  0.420  0.138  1.0
  Zn  Zn4  1  0.134  0.833  0.574  1.0
  Zn  Zn5  1  0.866  0.167  0.426  1.0
  Zn  Zn6  1  0.125  0.822  0.951  1.0
  Zn  Zn7  1  0.875  0.178  0.049  1.0
  P  P8  1  0.368  0.220  0.939  1.0
  P  P9  1  0.632  0.780  0.061  1.0
  P  P10  1  0.059  0.657  0.754  1.0
  P  P11  1  0.941  0.343  0.246  1.0
  P  P12  1  0.390  0.241  0.542  1.0
  P  P13  1  0.610  0.759  0.458  1.0
  O  O14  1  0.371  0.336  0.864  1.0
  O  O15  1  0.629  0.664  0.136  1.0
  O  O16  1  0.732  0.704  0.972  1.0
  O  O17  1  0.268  0.296  0.028  1.0
  O  O18  1  0.227  0.689  0.844  1.0
  O  O19  1  0.773  0.311  0.156  1.0
  O  O20  1  0.782  0.675  0.775  1.0
  O  O21  1  0.218  0.325  0.225  1.0
  O  O22  1  0.750  0.749  0.546  1.0
  O  O23  1  0.250  0.251  0.454  1.0
  O  O24  1  0.329  0.775  0.474  1.0
  O  O25  1  0.671  0.225  0.526  1.0
  O  O26  1  0.220  0.089  0.591  1.0
  O  O27  1  0.780  0.911  0.409  1.0
  O  O28  1  0.210  0.798  0.695  1.0
  O  O29  1  0.790  0.202  0.305  1.0
  O  O30  1  0.352  0.795  0.045  1.0
  O  O31  1  0.648  0.205  0.955  1.0
  O  O32  1  0.155  0.044  0.911  1.0
  O  O33  1  0.845  0.956  0.089  1.0
  O  O34  1  0.017  0.474  0.710  1.0
  O  O35  1  0.983  0.526  0.290  1.0
  O  O36  1  0.429  0.411  0.603  1.0
  O  O37  1  0.571  0.589  0.397  1.0
[/CIF]
.
The compound described by CsZn3(PO4)3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(3)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with three equivalent Zn(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. In the third P site, P(3) is bonded to one O(12), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Zn(2)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(3), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one Zn(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zn(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one P(3) atom. is represented by the CIF card [CIF]
data_CsZn3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.269
_cell_length_b   8.203
_cell_length_c   15.155
_cell_angle_alpha   95.323
_cell_angle_beta   89.976
_cell_angle_gamma   108.194
_symmetry_Int_Tables_number   1
_cell_volume   619.324
_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
  Cs  Cs0  1  0.790  0.094  0.745  1.0
  Cs  Cs1  1  0.210  0.906  0.255  1.0
  Zn  Zn2  1  0.512  0.580  0.862  1.0
  Zn  Zn3  1  0.488  0.420  0.138  1.0
  Zn  Zn4  1  0.134  0.833  0.574  1.0
  Zn  Zn5  1  0.866  0.167  0.426  1.0
  Zn  Zn6  1  0.125  0.822  0.951  1.0
  Zn  Zn7  1  0.875  0.178  0.049  1.0
  P  P8  1  0.368  0.220  0.939  1.0
  P  P9  1  0.632  0.780  0.061  1.0
  P  P10  1  0.059  0.657  0.754  1.0
  P  P11  1  0.941  0.343  0.246  1.0
  P  P12  1  0.390  0.241  0.542  1.0
  P  P13  1  0.610  0.759  0.458  1.0
  O  O14  1  0.371  0.336  0.864  1.0
  O  O15  1  0.629  0.664  0.136  1.0
  O  O16  1  0.732  0.704  0.972  1.0
  O  O17  1  0.268  0.296  0.028  1.0
  O  O18  1  0.227  0.689  0.844  1.0
  O  O19  1  0.773  0.311  0.156  1.0
  O  O20  1  0.782  0.675  0.775  1.0
  O  O21  1  0.218  0.325  0.225  1.0
  O  O22  1  0.750  0.749  0.546  1.0
  O  O23  1  0.250  0.251  0.454  1.0
  O  O24  1  0.329  0.775  0.474  1.0
  O  O25  1  0.671  0.225  0.526  1.0
  O  O26  1  0.220  0.089  0.591  1.0
  O  O27  1  0.780  0.911  0.409  1.0
  O  O28  1  0.210  0.798  0.695  1.0
  O  O29  1  0.790  0.202  0.305  1.0
  O  O30  1  0.352  0.795  0.045  1.0
  O  O31  1  0.648  0.205  0.955  1.0
  O  O32  1  0.155  0.044  0.911  1.0
  O  O33  1  0.845  0.956  0.089  1.0
  O  O34  1  0.017  0.474  0.710  1.0
  O  O35  1  0.983  0.526  0.290  1.0
  O  O36  1  0.429  0.411  0.603  1.0
  O  O37  1  0.571  0.589  0.397  1.0
[/CIF]
.