The material described by Na2CoSiCO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Co(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-50°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Na(1), one Co(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Co(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Co(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_Na2CoSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.334
_cell_length_b   5.155
_cell_length_c   9.020
_cell_angle_alpha   87.896
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.328
_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
  Na  Na0  1  0.986  0.763  0.757  1.0
  Na  Na1  1  0.514  0.763  0.757  1.0
  Na  Na2  1  0.486  0.237  0.243  1.0
  Na  Na3  1  0.014  0.237  0.243  1.0
  Co  Co4  1  0.250  0.210  0.658  1.0
  Co  Co5  1  0.750  0.790  0.342  1.0
  Si  Si6  1  0.750  0.288  0.568  1.0
  Si  Si7  1  0.250  0.712  0.432  1.0
  C  C8  1  0.250  0.274  0.920  1.0
  C  C9  1  0.750  0.726  0.080  1.0
  O  O10  1  0.750  0.696  0.944  1.0
  O  O11  1  0.250  0.050  0.858  1.0
  O  O12  1  0.250  0.465  0.819  1.0
  O  O13  1  0.954  0.215  0.675  1.0
  O  O14  1  0.546  0.215  0.675  1.0
  O  O15  1  0.250  0.873  0.585  1.0
  O  O16  1  0.750  0.604  0.530  1.0
  O  O17  1  0.250  0.396  0.470  1.0
  O  O18  1  0.750  0.127  0.415  1.0
  O  O19  1  0.454  0.785  0.325  1.0
  O  O20  1  0.046  0.785  0.325  1.0
  O  O21  1  0.750  0.535  0.181  1.0
  O  O22  1  0.750  0.950  0.142  1.0
  O  O23  1  0.250  0.304  0.056  1.0
[/CIF]
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The material described by Na2CoSiCO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Co(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-50°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Na(1), one Co(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Co(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Co(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_Na2CoSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.334
_cell_length_b   5.155
_cell_length_c   9.020
_cell_angle_alpha   87.896
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.328
_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
  Na  Na0  1  0.986  0.763  0.757  1.0
  Na  Na1  1  0.514  0.763  0.757  1.0
  Na  Na2  1  0.486  0.237  0.243  1.0
  Na  Na3  1  0.014  0.237  0.243  1.0
  Co  Co4  1  0.250  0.210  0.658  1.0
  Co  Co5  1  0.750  0.790  0.342  1.0
  Si  Si6  1  0.750  0.288  0.568  1.0
  Si  Si7  1  0.250  0.712  0.432  1.0
  C  C8  1  0.250  0.274  0.920  1.0
  C  C9  1  0.750  0.726  0.080  1.0
  O  O10  1  0.750  0.696  0.944  1.0
  O  O11  1  0.250  0.050  0.858  1.0
  O  O12  1  0.250  0.465  0.819  1.0
  O  O13  1  0.954  0.215  0.675  1.0
  O  O14  1  0.546  0.215  0.675  1.0
  O  O15  1  0.250  0.873  0.585  1.0
  O  O16  1  0.750  0.604  0.530  1.0
  O  O17  1  0.250  0.396  0.470  1.0
  O  O18  1  0.750  0.127  0.415  1.0
  O  O19  1  0.454  0.785  0.325  1.0
  O  O20  1  0.046  0.785  0.325  1.0
  O  O21  1  0.750  0.535  0.181  1.0
  O  O22  1  0.750  0.950  0.142  1.0
  O  O23  1  0.250  0.304  0.056  1.0
[/CIF]
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