The material described by CuSiO3 crystallizes in the triclinic P-1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(6), and two equivalent O(7) atoms. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(8) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(4), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(2), one O(5), one O(7), and one O(9) atom to form corner-sharing SiO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Si(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(1), one Cu(3), and one Si(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(2), one Cu(3), and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one Si(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. is represented by the CIF file [CIF]
data_CuSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.831
_cell_length_b   8.835
_cell_length_c   8.832
_cell_angle_alpha   111.688
_cell_angle_beta   111.856
_cell_angle_gamma   111.627
_symmetry_Int_Tables_number   1
_cell_volume   481.177
_cell_formula_units_Z   6
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  0.955  0.342  0.535  1.0
  Cu  Cu1  1  0.466  0.047  0.659  1.0
  Cu  Cu2  1  0.045  0.658  0.465  1.0
  Cu  Cu3  1  0.533  0.953  0.341  1.0
  Cu  Cu4  1  0.339  0.533  0.950  1.0
  Cu  Cu5  1  0.661  0.467  0.050  1.0
  Si  Si6  1  0.785  0.919  0.177  1.0
  Si  Si7  1  0.823  0.213  0.080  1.0
  Si  Si8  1  0.919  0.177  0.786  1.0
  Si  Si9  1  0.177  0.787  0.920  1.0
  Si  Si10  1  0.215  0.081  0.823  1.0
  Si  Si11  1  0.081  0.823  0.214  1.0
  O  O12  1  0.937  0.374  0.322  1.0
  O  O13  1  0.951  0.634  0.215  1.0
  O  O14  1  0.733  0.987  0.025  1.0
  O  O15  1  0.049  0.366  0.786  1.0
  O  O16  1  0.366  0.784  0.051  1.0
  O  O17  1  0.267  0.014  0.975  1.0
  O  O18  1  0.988  0.026  0.734  1.0
  O  O19  1  0.784  0.051  0.366  1.0
  O  O20  1  0.677  0.061  0.625  1.0
  O  O21  1  0.375  0.322  0.936  1.0
  O  O22  1  0.323  0.939  0.375  1.0
  O  O23  1  0.026  0.735  0.987  1.0
  O  O24  1  0.012  0.974  0.266  1.0
  O  O25  1  0.216  0.949  0.634  1.0
  O  O26  1  0.625  0.678  0.064  1.0
  O  O27  1  0.634  0.216  0.949  1.0
  O  O28  1  0.063  0.626  0.678  1.0
  O  O29  1  0.974  0.265  0.013  1.0
[/CIF]
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The material described by CuSiO3 crystallizes in the triclinic P-1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(6), and two equivalent O(7) atoms. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(8) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(4), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(2), one O(5), one O(7), and one O(9) atom to form corner-sharing SiO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Si(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(1), one Cu(3), and one Si(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(2), one Cu(3), and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one Si(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. is represented by the CIF file [CIF]
data_CuSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.831
_cell_length_b   8.835
_cell_length_c   8.832
_cell_angle_alpha   111.688
_cell_angle_beta   111.856
_cell_angle_gamma   111.627
_symmetry_Int_Tables_number   1
_cell_volume   481.177
_cell_formula_units_Z   6
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  0.955  0.342  0.535  1.0
  Cu  Cu1  1  0.466  0.047  0.659  1.0
  Cu  Cu2  1  0.045  0.658  0.465  1.0
  Cu  Cu3  1  0.533  0.953  0.341  1.0
  Cu  Cu4  1  0.339  0.533  0.950  1.0
  Cu  Cu5  1  0.661  0.467  0.050  1.0
  Si  Si6  1  0.785  0.919  0.177  1.0
  Si  Si7  1  0.823  0.213  0.080  1.0
  Si  Si8  1  0.919  0.177  0.786  1.0
  Si  Si9  1  0.177  0.787  0.920  1.0
  Si  Si10  1  0.215  0.081  0.823  1.0
  Si  Si11  1  0.081  0.823  0.214  1.0
  O  O12  1  0.937  0.374  0.322  1.0
  O  O13  1  0.951  0.634  0.215  1.0
  O  O14  1  0.733  0.987  0.025  1.0
  O  O15  1  0.049  0.366  0.786  1.0
  O  O16  1  0.366  0.784  0.051  1.0
  O  O17  1  0.267  0.014  0.975  1.0
  O  O18  1  0.988  0.026  0.734  1.0
  O  O19  1  0.784  0.051  0.366  1.0
  O  O20  1  0.677  0.061  0.625  1.0
  O  O21  1  0.375  0.322  0.936  1.0
  O  O22  1  0.323  0.939  0.375  1.0
  O  O23  1  0.026  0.735  0.987  1.0
  O  O24  1  0.012  0.974  0.266  1.0
  O  O25  1  0.216  0.949  0.634  1.0
  O  O26  1  0.625  0.678  0.064  1.0
  O  O27  1  0.634  0.216  0.949  1.0
  O  O28  1  0.063  0.626  0.678  1.0
  O  O29  1  0.974  0.265  0.013  1.0
[/CIF]
.