The compound described by CsZnB(PO4)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to one O(1), one O(3), one O(6), one O(7), one O(8), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Zn(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. B(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form BO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent B(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent B(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one B(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one B(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Zn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one B(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cs(1), one B(1), and one P(2) atom. is represented by the CIF file [CIF]
data_CsZnB(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.605
_cell_length_b   8.019
_cell_length_c   8.136
_cell_angle_alpha   117.784
_cell_angle_beta   102.888
_cell_angle_gamma   104.689
_symmetry_Int_Tables_number   1
_cell_volume   389.375
_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  0.264  0.647  0.405  1.0
  Cs  Cs1  1  0.736  0.353  0.595  1.0
  Zn  Zn2  1  0.203  0.293  0.743  1.0
  Zn  Zn3  1  0.797  0.707  0.257  1.0
  B  B4  1  0.702  0.934  0.931  1.0
  B  B5  1  0.298  0.066  0.069  1.0
  P  P6  1  0.558  0.229  0.938  1.0
  P  P7  1  0.960  0.903  0.729  1.0
  P  P8  1  0.040  0.097  0.271  1.0
  P  P9  1  0.442  0.771  0.062  1.0
  O  O10  1  0.399  0.969  0.149  1.0
  O  O11  1  0.095  0.275  0.488  1.0
  O  O12  1  0.452  0.239  0.086  1.0
  O  O13  1  0.750  0.424  0.054  1.0
  O  O14  1  0.601  0.031  0.851  1.0
  O  O15  1  0.581  0.798  0.250  1.0
  O  O16  1  0.987  0.112  0.759  1.0
  O  O17  1  0.013  0.888  0.241  1.0
  O  O18  1  0.905  0.725  0.512  1.0
  O  O19  1  0.208  0.171  0.206  1.0
  O  O20  1  0.548  0.761  0.914  1.0
  O  O21  1  0.419  0.202  0.750  1.0
  O  O22  1  0.155  0.911  0.858  1.0
  O  O23  1  0.250  0.576  0.946  1.0
  O  O24  1  0.792  0.829  0.794  1.0
  O  O25  1  0.845  0.089  0.142  1.0
[/CIF]
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The compound described by CsZnB(PO4)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to one O(1), one O(3), one O(6), one O(7), one O(8), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Zn(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. B(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form BO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent B(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent B(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one B(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one B(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Zn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one B(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cs(1), one B(1), and one P(2) atom. is represented by the CIF file [CIF]
data_CsZnB(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.605
_cell_length_b   8.019
_cell_length_c   8.136
_cell_angle_alpha   117.784
_cell_angle_beta   102.888
_cell_angle_gamma   104.689
_symmetry_Int_Tables_number   1
_cell_volume   389.375
_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  0.264  0.647  0.405  1.0
  Cs  Cs1  1  0.736  0.353  0.595  1.0
  Zn  Zn2  1  0.203  0.293  0.743  1.0
  Zn  Zn3  1  0.797  0.707  0.257  1.0
  B  B4  1  0.702  0.934  0.931  1.0
  B  B5  1  0.298  0.066  0.069  1.0
  P  P6  1  0.558  0.229  0.938  1.0
  P  P7  1  0.960  0.903  0.729  1.0
  P  P8  1  0.040  0.097  0.271  1.0
  P  P9  1  0.442  0.771  0.062  1.0
  O  O10  1  0.399  0.969  0.149  1.0
  O  O11  1  0.095  0.275  0.488  1.0
  O  O12  1  0.452  0.239  0.086  1.0
  O  O13  1  0.750  0.424  0.054  1.0
  O  O14  1  0.601  0.031  0.851  1.0
  O  O15  1  0.581  0.798  0.250  1.0
  O  O16  1  0.987  0.112  0.759  1.0
  O  O17  1  0.013  0.888  0.241  1.0
  O  O18  1  0.905  0.725  0.512  1.0
  O  O19  1  0.208  0.171  0.206  1.0
  O  O20  1  0.548  0.761  0.914  1.0
  O  O21  1  0.419  0.202  0.750  1.0
  O  O22  1  0.155  0.911  0.858  1.0
  O  O23  1  0.250  0.576  0.946  1.0
  O  O24  1  0.792  0.829  0.794  1.0
  O  O25  1  0.845  0.089  0.142  1.0
[/CIF]
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