The crystal structure described by Na2RuCPO7 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. Ru(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Ru(1), and one C(1) atom to form distorted edge-sharing ONa2RuC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one Ru(1), and one C(1) atom to form distorted edge-sharing ONa2RuC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ru(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Ru(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ru(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2PRuCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.560
_cell_length_b   5.248
_cell_length_c   9.133
_cell_angle_alpha   88.822
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.356
_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  0.995  0.764  0.762  1.0
  Na  Na1  1  0.505  0.764  0.762  1.0
  Na  Na2  1  0.495  0.236  0.238  1.0
  Na  Na3  1  0.005  0.236  0.238  1.0
  P  P4  1  0.750  0.291  0.577  1.0
  P  P5  1  0.250  0.709  0.423  1.0
  Ru  Ru6  1  0.250  0.218  0.655  1.0
  Ru  Ru7  1  0.750  0.782  0.345  1.0
  C  C8  1  0.250  0.275  0.928  1.0
  C  C9  1  0.750  0.725  0.072  1.0
  O  O10  1  0.750  0.710  0.935  1.0
  O  O11  1  0.250  0.056  0.859  1.0
  O  O12  1  0.250  0.472  0.835  1.0
  O  O13  1  0.938  0.209  0.670  1.0
  O  O14  1  0.562  0.209  0.670  1.0
  O  O15  1  0.250  0.841  0.573  1.0
  O  O16  1  0.750  0.587  0.554  1.0
  O  O17  1  0.250  0.413  0.446  1.0
  O  O18  1  0.750  0.159  0.427  1.0
  O  O19  1  0.438  0.791  0.330  1.0
  O  O20  1  0.062  0.791  0.330  1.0
  O  O21  1  0.750  0.528  0.165  1.0
  O  O22  1  0.750  0.944  0.141  1.0
  O  O23  1  0.250  0.290  0.065  1.0
[/CIF]
.
The crystal structure described by Na2RuCPO7 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. Ru(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Ru(1), and one C(1) atom to form distorted edge-sharing ONa2RuC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one Ru(1), and one C(1) atom to form distorted edge-sharing ONa2RuC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ru(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Ru(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ru(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2PRuCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.560
_cell_length_b   5.248
_cell_length_c   9.133
_cell_angle_alpha   88.822
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.356
_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  0.995  0.764  0.762  1.0
  Na  Na1  1  0.505  0.764  0.762  1.0
  Na  Na2  1  0.495  0.236  0.238  1.0
  Na  Na3  1  0.005  0.236  0.238  1.0
  P  P4  1  0.750  0.291  0.577  1.0
  P  P5  1  0.250  0.709  0.423  1.0
  Ru  Ru6  1  0.250  0.218  0.655  1.0
  Ru  Ru7  1  0.750  0.782  0.345  1.0
  C  C8  1  0.250  0.275  0.928  1.0
  C  C9  1  0.750  0.725  0.072  1.0
  O  O10  1  0.750  0.710  0.935  1.0
  O  O11  1  0.250  0.056  0.859  1.0
  O  O12  1  0.250  0.472  0.835  1.0
  O  O13  1  0.938  0.209  0.670  1.0
  O  O14  1  0.562  0.209  0.670  1.0
  O  O15  1  0.250  0.841  0.573  1.0
  O  O16  1  0.750  0.587  0.554  1.0
  O  O17  1  0.250  0.413  0.446  1.0
  O  O18  1  0.750  0.159  0.427  1.0
  O  O19  1  0.438  0.791  0.330  1.0
  O  O20  1  0.062  0.791  0.330  1.0
  O  O21  1  0.750  0.528  0.165  1.0
  O  O22  1  0.750  0.944  0.141  1.0
  O  O23  1  0.250  0.290  0.065  1.0
[/CIF]
.