The material described by Zn3Sn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form ZnO4 tetrahedra that share corners with two equivalent As(1)O4 tetrahedra and corners with two equivalent As(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(6) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(7), and one O(8) atom. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Sn(1), one Sn(2), and one As(2) atom. In the second O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Zn(1), one Sn(1), and one As(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Zn(1), one Sn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(2), one Sn(1), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(2), and one As(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one Sn(2), and one As(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Zn(2) and one As(1) atom. is represented by the CIF file [CIF]
data_Zn3Sn3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   9.424
_cell_length_c   17.404
_cell_angle_alpha   60.923
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   782.319
_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
  Zn  Zn0  1  0.011  0.181  0.758  1.0
  Zn  Zn1  1  0.511  0.819  0.742  1.0
  Zn  Zn2  1  0.989  0.819  0.242  1.0
  Zn  Zn3  1  0.489  0.181  0.258  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.000  0.500  1.0
  Sn  Sn6  1  0.935  0.552  0.139  1.0
  Sn  Sn7  1  0.065  0.448  0.861  1.0
  Sn  Sn8  1  0.435  0.448  0.361  1.0
  Sn  Sn9  1  0.565  0.552  0.639  1.0
  Sn  Sn10  1  0.500  0.500  0.000  1.0
  Sn  Sn11  1  0.000  0.500  0.500  1.0
  As  As12  1  0.534  0.238  0.862  1.0
  As  As13  1  0.952  0.785  0.886  1.0
  As  As14  1  0.452  0.215  0.614  1.0
  As  As15  1  0.548  0.785  0.386  1.0
  As  As16  1  0.466  0.762  0.138  1.0
  As  As17  1  0.048  0.215  0.114  1.0
  As  As18  1  0.966  0.238  0.362  1.0
  As  As19  1  0.034  0.762  0.638  1.0
  O  O20  1  0.212  0.690  0.735  1.0
  O  O21  1  0.436  0.205  0.518  1.0
  O  O22  1  0.057  0.950  0.795  1.0
  O  O23  1  0.972  0.601  0.617  1.0
  O  O24  1  0.943  0.050  0.205  1.0
  O  O25  1  0.288  0.690  0.235  1.0
  O  O26  1  0.557  0.050  0.705  1.0
  O  O27  1  0.826  0.720  0.363  1.0
  O  O28  1  0.808  0.080  0.439  1.0
  O  O29  1  0.788  0.310  0.265  1.0
  O  O30  1  0.528  0.601  0.117  1.0
  O  O31  1  0.174  0.280  0.637  1.0
  O  O32  1  0.148  0.619  0.913  1.0
  O  O33  1  0.192  0.920  0.561  1.0
  O  O34  1  0.766  0.806  0.152  1.0
  O  O35  1  0.266  0.194  0.348  1.0
  O  O36  1  0.648  0.381  0.587  1.0
  O  O37  1  0.443  0.950  0.295  1.0
  O  O38  1  0.308  0.920  0.061  1.0
  O  O39  1  0.326  0.280  0.137  1.0
  O  O40  1  0.734  0.806  0.652  1.0
  O  O41  1  0.234  0.194  0.848  1.0
  O  O42  1  0.564  0.795  0.482  1.0
  O  O43  1  0.936  0.795  0.982  1.0
  O  O44  1  0.852  0.381  0.087  1.0
  O  O45  1  0.712  0.310  0.765  1.0
  O  O46  1  0.028  0.399  0.383  1.0
  O  O47  1  0.692  0.080  0.939  1.0
  O  O48  1  0.064  0.205  0.018  1.0
  O  O49  1  0.674  0.720  0.863  1.0
  O  O50  1  0.352  0.619  0.413  1.0
  O  O51  1  0.472  0.399  0.883  1.0
[/CIF]
.
The material described by Zn3Sn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form ZnO4 tetrahedra that share corners with two equivalent As(1)O4 tetrahedra and corners with two equivalent As(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(6) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(7), and one O(8) atom. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Sn(1), one Sn(2), and one As(2) atom. In the second O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Zn(1), one Sn(1), and one As(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one Zn(1), one Sn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(2), one Sn(1), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Sn(1), one Sn(2), and one As(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one Sn(2), and one As(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Zn(2) and one As(1) atom. is represented by the CIF file [CIF]
data_Zn3Sn3(AsO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   9.424
_cell_length_c   17.404
_cell_angle_alpha   60.923
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   782.319
_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
  Zn  Zn0  1  0.011  0.181  0.758  1.0
  Zn  Zn1  1  0.511  0.819  0.742  1.0
  Zn  Zn2  1  0.989  0.819  0.242  1.0
  Zn  Zn3  1  0.489  0.181  0.258  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.000  0.500  1.0
  Sn  Sn6  1  0.935  0.552  0.139  1.0
  Sn  Sn7  1  0.065  0.448  0.861  1.0
  Sn  Sn8  1  0.435  0.448  0.361  1.0
  Sn  Sn9  1  0.565  0.552  0.639  1.0
  Sn  Sn10  1  0.500  0.500  0.000  1.0
  Sn  Sn11  1  0.000  0.500  0.500  1.0
  As  As12  1  0.534  0.238  0.862  1.0
  As  As13  1  0.952  0.785  0.886  1.0
  As  As14  1  0.452  0.215  0.614  1.0
  As  As15  1  0.548  0.785  0.386  1.0
  As  As16  1  0.466  0.762  0.138  1.0
  As  As17  1  0.048  0.215  0.114  1.0
  As  As18  1  0.966  0.238  0.362  1.0
  As  As19  1  0.034  0.762  0.638  1.0
  O  O20  1  0.212  0.690  0.735  1.0
  O  O21  1  0.436  0.205  0.518  1.0
  O  O22  1  0.057  0.950  0.795  1.0
  O  O23  1  0.972  0.601  0.617  1.0
  O  O24  1  0.943  0.050  0.205  1.0
  O  O25  1  0.288  0.690  0.235  1.0
  O  O26  1  0.557  0.050  0.705  1.0
  O  O27  1  0.826  0.720  0.363  1.0
  O  O28  1  0.808  0.080  0.439  1.0
  O  O29  1  0.788  0.310  0.265  1.0
  O  O30  1  0.528  0.601  0.117  1.0
  O  O31  1  0.174  0.280  0.637  1.0
  O  O32  1  0.148  0.619  0.913  1.0
  O  O33  1  0.192  0.920  0.561  1.0
  O  O34  1  0.766  0.806  0.152  1.0
  O  O35  1  0.266  0.194  0.348  1.0
  O  O36  1  0.648  0.381  0.587  1.0
  O  O37  1  0.443  0.950  0.295  1.0
  O  O38  1  0.308  0.920  0.061  1.0
  O  O39  1  0.326  0.280  0.137  1.0
  O  O40  1  0.734  0.806  0.652  1.0
  O  O41  1  0.234  0.194  0.848  1.0
  O  O42  1  0.564  0.795  0.482  1.0
  O  O43  1  0.936  0.795  0.982  1.0
  O  O44  1  0.852  0.381  0.087  1.0
  O  O45  1  0.712  0.310  0.765  1.0
  O  O46  1  0.028  0.399  0.383  1.0
  O  O47  1  0.692  0.080  0.939  1.0
  O  O48  1  0.064  0.205  0.018  1.0
  O  O49  1  0.674  0.720  0.863  1.0
  O  O50  1  0.352  0.619  0.413  1.0
  O  O51  1  0.472  0.399  0.883  1.0
[/CIF]
.