The material described by CaSnAsO5 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), one O(8), one O(9), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(10), one O(5), one O(7), one O(8), and two equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(9) atoms to form SnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra and edges with two equivalent Sn(1)O6 octahedra. In the second Sn site, Sn(2) is bonded to one O(5), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra and edges with two equivalent Sn(2)O6 octahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-59°. In the second As site, As(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Sn(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(2) and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(1) and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(2), one Sn(2), and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Sn(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(2), one Sn(2), and one As(1) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ca(2), one Sn(1), and one As(2) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Ca(1) and two equivalent Sn(1) atoms. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ca(2) and two equivalent Sn(2) atoms. is represented by the CIF file [CIF]
data_CaSnAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   7.956
_cell_length_c   9.510
_cell_angle_alpha   83.201
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.581
_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
  Ca  Ca0  1  0.767  0.061  0.641  1.0
  Ca  Ca1  1  0.248  0.401  0.177  1.0
  Ca  Ca2  1  0.748  0.599  0.823  1.0
  Ca  Ca3  1  0.267  0.939  0.359  1.0
  Sn  Sn4  1  0.479  0.011  0.990  1.0
  Sn  Sn5  1  0.523  0.493  0.497  1.0
  Sn  Sn6  1  0.023  0.507  0.503  1.0
  Sn  Sn7  1  0.979  0.989  0.010  1.0
  As  As8  1  0.282  0.388  0.829  1.0
  As  As9  1  0.711  0.170  0.287  1.0
  As  As10  1  0.211  0.830  0.713  1.0
  As  As11  1  0.782  0.612  0.171  1.0
  O  O12  1  0.224  0.193  0.929  1.0
  O  O13  1  0.787  0.332  0.502  1.0
  O  O14  1  0.287  0.668  0.498  1.0
  O  O15  1  0.724  0.807  0.071  1.0
  O  O16  1  0.384  0.512  0.949  1.0
  O  O17  1  0.629  0.012  0.422  1.0
  O  O18  1  0.129  0.988  0.578  1.0
  O  O19  1  0.884  0.488  0.051  1.0
  O  O20  1  0.045  0.448  0.744  1.0
  O  O21  1  0.960  0.073  0.213  1.0
  O  O22  1  0.460  0.927  0.787  1.0
  O  O23  1  0.545  0.552  0.256  1.0
  O  O24  1  0.489  0.371  0.712  1.0
  O  O25  1  0.470  0.133  0.174  1.0
  O  O26  1  0.970  0.867  0.826  1.0
  O  O27  1  0.989  0.629  0.288  1.0
  O  O28  1  0.744  0.138  0.920  1.0
  O  O29  1  0.260  0.359  0.430  1.0
  O  O30  1  0.760  0.641  0.570  1.0
  O  O31  1  0.244  0.862  0.080  1.0
[/CIF]
.
The material described by CaSnAsO5 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), one O(8), one O(9), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(10), one O(5), one O(7), one O(8), and two equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(9) atoms to form SnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra and edges with two equivalent Sn(1)O6 octahedra. In the second Sn site, Sn(2) is bonded to one O(5), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra and edges with two equivalent Sn(2)O6 octahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-59°. In the second As site, As(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Sn(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(2) and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(1) and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(2), one Sn(2), and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Sn(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(2), one Sn(2), and one As(1) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ca(2), one Sn(1), and one As(2) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Ca(1) and two equivalent Sn(1) atoms. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ca(2) and two equivalent Sn(2) atoms. is represented by the CIF file [CIF]
data_CaSnAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   7.956
_cell_length_c   9.510
_cell_angle_alpha   83.201
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.581
_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
  Ca  Ca0  1  0.767  0.061  0.641  1.0
  Ca  Ca1  1  0.248  0.401  0.177  1.0
  Ca  Ca2  1  0.748  0.599  0.823  1.0
  Ca  Ca3  1  0.267  0.939  0.359  1.0
  Sn  Sn4  1  0.479  0.011  0.990  1.0
  Sn  Sn5  1  0.523  0.493  0.497  1.0
  Sn  Sn6  1  0.023  0.507  0.503  1.0
  Sn  Sn7  1  0.979  0.989  0.010  1.0
  As  As8  1  0.282  0.388  0.829  1.0
  As  As9  1  0.711  0.170  0.287  1.0
  As  As10  1  0.211  0.830  0.713  1.0
  As  As11  1  0.782  0.612  0.171  1.0
  O  O12  1  0.224  0.193  0.929  1.0
  O  O13  1  0.787  0.332  0.502  1.0
  O  O14  1  0.287  0.668  0.498  1.0
  O  O15  1  0.724  0.807  0.071  1.0
  O  O16  1  0.384  0.512  0.949  1.0
  O  O17  1  0.629  0.012  0.422  1.0
  O  O18  1  0.129  0.988  0.578  1.0
  O  O19  1  0.884  0.488  0.051  1.0
  O  O20  1  0.045  0.448  0.744  1.0
  O  O21  1  0.960  0.073  0.213  1.0
  O  O22  1  0.460  0.927  0.787  1.0
  O  O23  1  0.545  0.552  0.256  1.0
  O  O24  1  0.489  0.371  0.712  1.0
  O  O25  1  0.470  0.133  0.174  1.0
  O  O26  1  0.970  0.867  0.826  1.0
  O  O27  1  0.989  0.629  0.288  1.0
  O  O28  1  0.744  0.138  0.920  1.0
  O  O29  1  0.260  0.359  0.430  1.0
  O  O30  1  0.760  0.641  0.570  1.0
  O  O31  1  0.244  0.862  0.080  1.0
[/CIF]
.