The structure described by CuSnO6 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(16), one O(17), one O(21), and one O(5) atom to form CuO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, and corners with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Cu site, Cu(2) is bonded to one O(10), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form CuO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, and corners with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the third Cu site, Cu(3) is bonded to one O(11), one O(15), one O(19), one O(23), one O(3), and one O(7) atom to form CuO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and corners with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the fourth Cu site, Cu(4) is bonded to one O(13), one O(20), one O(24), one O(4), one O(8), and one O(9) atom to form CuO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and corners with two equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(10), one O(14), one O(20), one O(24), one O(3), and one O(7) atom to form SnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Sn site, Sn(2) is bonded to one O(12), one O(16), one O(19), one O(23), one O(4), and one O(8) atom to form SnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. In the third Sn site, Sn(3) is bonded to one O(1), one O(13), one O(18), one O(22), one O(5), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the fourth Sn site, Sn(4) is bonded to one O(11), one O(15), one O(17), one O(2), one O(21), and one O(6) atom to form SnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one Sn(3), and one O(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2), one Sn(4), and one O(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(3), one Sn(1), and one O(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(4), one Sn(2), and one O(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1), one Sn(3), and one O(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Cu(2), one Sn(4), and one O(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Cu(3), one Sn(1), and one O(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cu(4), one Sn(2), and one O(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Cu(4), one Sn(3), and one O(14) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Cu(2), one Sn(1), and one O(13) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cu(3), one Sn(4), and one O(16) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(1), one Sn(2), and one O(15) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Cu(4), one Sn(3), and one O(10) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Cu(2), one Sn(1), and one O(9) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Cu(3), one Sn(4), and one O(12) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(1), one Sn(2), and one O(11) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cu(1) and one Sn(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Cu(2) and one Sn(3) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Cu(3) and one Sn(2) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Cu(4) and one Sn(1) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Cu(1) and one Sn(4) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Cu(2) and one Sn(3) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Cu(3) and one Sn(2) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Cu(4) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.238
_cell_length_b   8.110
_cell_length_c   6.401
_cell_angle_alpha   89.989
_cell_angle_beta   89.917
_cell_angle_gamma   90.441
_symmetry_Int_Tables_number   1
_cell_volume   427.659
_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
  Cu  Cu0  1  0.997  0.999  0.000  1.0
  Cu  Cu1  1  0.499  0.000  0.500  1.0
  Cu  Cu2  1  0.002  0.497  0.499  1.0
  Cu  Cu3  1  0.502  0.501  1.000  1.0
  Sn  Sn4  1  0.501  0.500  0.499  1.0
  Sn  Sn5  1  0.003  0.499  0.000  1.0
  Sn  Sn6  1  0.499  0.003  0.999  1.0
  Sn  Sn7  1  0.998  0.997  0.501  1.0
  O  O8  1  0.244  0.017  0.143  1.0
  O  O9  1  0.745  0.982  0.642  1.0
  O  O10  1  0.756  0.527  0.643  1.0
  O  O11  1  0.256  0.480  0.143  1.0
  O  O12  1  0.752  0.984  0.859  1.0
  O  O13  1  0.252  0.019  0.357  1.0
  O  O14  1  0.248  0.478  0.357  1.0
  O  O15  1  0.748  0.525  0.856  1.0
  O  O16  1  0.519  0.747  0.141  1.0
  O  O17  1  0.491  0.247  0.642  1.0
  O  O18  1  0.017  0.252  0.641  1.0
  O  O19  1  0.985  0.753  0.142  1.0
  O  O20  1  0.477  0.256  0.859  1.0
  O  O21  1  0.519  0.756  0.359  1.0
  O  O22  1  0.974  0.743  0.360  1.0
  O  O23  1  0.015  0.244  0.859  1.0
  O  O24  1  0.082  0.913  0.765  1.0
  O  O25  1  0.583  0.087  0.263  1.0
  O  O26  1  0.918  0.411  0.262  1.0
  O  O27  1  0.418  0.587  0.763  1.0
  O  O28  1  0.914  0.083  0.238  1.0
  O  O29  1  0.413  0.915  0.737  1.0
  O  O30  1  0.088  0.583  0.736  1.0
  O  O31  1  0.587  0.417  0.236  1.0
[/CIF]
.
The structure described by CuSnO6 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(12), one O(16), one O(17), one O(21), and one O(5) atom to form CuO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, and corners with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Cu site, Cu(2) is bonded to one O(10), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form CuO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, and corners with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the third Cu site, Cu(3) is bonded to one O(11), one O(15), one O(19), one O(23), one O(3), and one O(7) atom to form CuO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and corners with two equivalent Sn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the fourth Cu site, Cu(4) is bonded to one O(13), one O(20), one O(24), one O(4), one O(8), and one O(9) atom to form CuO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and corners with two equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(10), one O(14), one O(20), one O(24), one O(3), and one O(7) atom to form SnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second Sn site, Sn(2) is bonded to one O(12), one O(16), one O(19), one O(23), one O(4), and one O(8) atom to form SnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. In the third Sn site, Sn(3) is bonded to one O(1), one O(13), one O(18), one O(22), one O(5), and one O(9) atom to form SnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the fourth Sn site, Sn(4) is bonded to one O(11), one O(15), one O(17), one O(2), one O(21), and one O(6) atom to form SnO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one Sn(3), and one O(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2), one Sn(4), and one O(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(3), one Sn(1), and one O(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(4), one Sn(2), and one O(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1), one Sn(3), and one O(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Cu(2), one Sn(4), and one O(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Cu(3), one Sn(1), and one O(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cu(4), one Sn(2), and one O(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Cu(4), one Sn(3), and one O(14) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Cu(2), one Sn(1), and one O(13) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cu(3), one Sn(4), and one O(16) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cu(1), one Sn(2), and one O(15) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Cu(4), one Sn(3), and one O(10) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Cu(2), one Sn(1), and one O(9) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Cu(3), one Sn(4), and one O(12) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(1), one Sn(2), and one O(11) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cu(1) and one Sn(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Cu(2) and one Sn(3) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Cu(3) and one Sn(2) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Cu(4) and one Sn(1) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Cu(1) and one Sn(4) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Cu(2) and one Sn(3) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Cu(3) and one Sn(2) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Cu(4) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.238
_cell_length_b   8.110
_cell_length_c   6.401
_cell_angle_alpha   89.989
_cell_angle_beta   89.917
_cell_angle_gamma   90.441
_symmetry_Int_Tables_number   1
_cell_volume   427.659
_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
  Cu  Cu0  1  0.997  0.999  0.000  1.0
  Cu  Cu1  1  0.499  0.000  0.500  1.0
  Cu  Cu2  1  0.002  0.497  0.499  1.0
  Cu  Cu3  1  0.502  0.501  1.000  1.0
  Sn  Sn4  1  0.501  0.500  0.499  1.0
  Sn  Sn5  1  0.003  0.499  0.000  1.0
  Sn  Sn6  1  0.499  0.003  0.999  1.0
  Sn  Sn7  1  0.998  0.997  0.501  1.0
  O  O8  1  0.244  0.017  0.143  1.0
  O  O9  1  0.745  0.982  0.642  1.0
  O  O10  1  0.756  0.527  0.643  1.0
  O  O11  1  0.256  0.480  0.143  1.0
  O  O12  1  0.752  0.984  0.859  1.0
  O  O13  1  0.252  0.019  0.357  1.0
  O  O14  1  0.248  0.478  0.357  1.0
  O  O15  1  0.748  0.525  0.856  1.0
  O  O16  1  0.519  0.747  0.141  1.0
  O  O17  1  0.491  0.247  0.642  1.0
  O  O18  1  0.017  0.252  0.641  1.0
  O  O19  1  0.985  0.753  0.142  1.0
  O  O20  1  0.477  0.256  0.859  1.0
  O  O21  1  0.519  0.756  0.359  1.0
  O  O22  1  0.974  0.743  0.360  1.0
  O  O23  1  0.015  0.244  0.859  1.0
  O  O24  1  0.082  0.913  0.765  1.0
  O  O25  1  0.583  0.087  0.263  1.0
  O  O26  1  0.918  0.411  0.262  1.0
  O  O27  1  0.418  0.587  0.763  1.0
  O  O28  1  0.914  0.083  0.238  1.0
  O  O29  1  0.413  0.915  0.737  1.0
  O  O30  1  0.088  0.583  0.736  1.0
  O  O31  1  0.587  0.417  0.236  1.0
[/CIF]
.