The compound described by NaMnCPO7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 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(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Mn(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 Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_NaMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   10.301
_cell_length_c   10.439
_cell_angle_alpha   61.548
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.268
_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
  Na  Na0  1  0.970  0.759  0.994  1.0
  Na  Na1  1  0.530  0.759  0.494  1.0
  Na  Na2  1  0.030  0.241  0.006  1.0
  Na  Na3  1  0.470  0.241  0.506  1.0
  Mn  Mn4  1  0.252  0.658  0.812  1.0
  Mn  Mn5  1  0.248  0.658  0.312  1.0
  Mn  Mn6  1  0.748  0.342  0.188  1.0
  Mn  Mn7  1  0.752  0.342  0.688  1.0
  P  P8  1  0.750  0.567  0.826  1.0
  P  P9  1  0.750  0.567  0.326  1.0
  P  P10  1  0.250  0.433  0.174  1.0
  P  P11  1  0.250  0.433  0.674  1.0
  C  C12  1  0.241  0.923  0.653  1.0
  C  C13  1  0.259  0.923  0.153  1.0
  C  C14  1  0.759  0.077  0.347  1.0
  C  C15  1  0.741  0.077  0.847  1.0
  O  O16  1  0.763  0.943  0.429  1.0
  O  O17  1  0.737  0.943  0.929  1.0
  O  O18  1  0.240  0.859  0.797  1.0
  O  O19  1  0.260  0.859  0.297  1.0
  O  O20  1  0.249  0.821  0.609  1.0
  O  O21  1  0.251  0.821  0.109  1.0
  O  O22  1  0.943  0.667  0.813  1.0
  O  O23  1  0.558  0.672  0.800  1.0
  O  O24  1  0.942  0.672  0.300  1.0
  O  O25  1  0.557  0.667  0.313  1.0
  O  O26  1  0.749  0.524  0.201  1.0
  O  O27  1  0.251  0.574  0.027  1.0
  O  O28  1  0.751  0.524  0.701  1.0
  O  O29  1  0.249  0.574  0.527  1.0
  O  O30  1  0.749  0.426  0.973  1.0
  O  O31  1  0.251  0.476  0.799  1.0
  O  O32  1  0.751  0.426  0.473  1.0
  O  O33  1  0.249  0.476  0.299  1.0
  O  O34  1  0.442  0.328  0.200  1.0
  O  O35  1  0.057  0.333  0.187  1.0
  O  O36  1  0.443  0.333  0.687  1.0
  O  O37  1  0.058  0.328  0.700  1.0
  O  O38  1  0.751  0.179  0.391  1.0
  O  O39  1  0.749  0.179  0.891  1.0
  O  O40  1  0.760  0.141  0.203  1.0
  O  O41  1  0.740  0.141  0.703  1.0
  O  O42  1  0.237  0.057  0.571  1.0
  O  O43  1  0.263  0.057  0.071  1.0
[/CIF]
.
The compound described by NaMnCPO7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 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(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Mn(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 Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_NaMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   10.301
_cell_length_c   10.439
_cell_angle_alpha   61.548
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   590.268
_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
  Na  Na0  1  0.970  0.759  0.994  1.0
  Na  Na1  1  0.530  0.759  0.494  1.0
  Na  Na2  1  0.030  0.241  0.006  1.0
  Na  Na3  1  0.470  0.241  0.506  1.0
  Mn  Mn4  1  0.252  0.658  0.812  1.0
  Mn  Mn5  1  0.248  0.658  0.312  1.0
  Mn  Mn6  1  0.748  0.342  0.188  1.0
  Mn  Mn7  1  0.752  0.342  0.688  1.0
  P  P8  1  0.750  0.567  0.826  1.0
  P  P9  1  0.750  0.567  0.326  1.0
  P  P10  1  0.250  0.433  0.174  1.0
  P  P11  1  0.250  0.433  0.674  1.0
  C  C12  1  0.241  0.923  0.653  1.0
  C  C13  1  0.259  0.923  0.153  1.0
  C  C14  1  0.759  0.077  0.347  1.0
  C  C15  1  0.741  0.077  0.847  1.0
  O  O16  1  0.763  0.943  0.429  1.0
  O  O17  1  0.737  0.943  0.929  1.0
  O  O18  1  0.240  0.859  0.797  1.0
  O  O19  1  0.260  0.859  0.297  1.0
  O  O20  1  0.249  0.821  0.609  1.0
  O  O21  1  0.251  0.821  0.109  1.0
  O  O22  1  0.943  0.667  0.813  1.0
  O  O23  1  0.558  0.672  0.800  1.0
  O  O24  1  0.942  0.672  0.300  1.0
  O  O25  1  0.557  0.667  0.313  1.0
  O  O26  1  0.749  0.524  0.201  1.0
  O  O27  1  0.251  0.574  0.027  1.0
  O  O28  1  0.751  0.524  0.701  1.0
  O  O29  1  0.249  0.574  0.527  1.0
  O  O30  1  0.749  0.426  0.973  1.0
  O  O31  1  0.251  0.476  0.799  1.0
  O  O32  1  0.751  0.426  0.473  1.0
  O  O33  1  0.249  0.476  0.299  1.0
  O  O34  1  0.442  0.328  0.200  1.0
  O  O35  1  0.057  0.333  0.187  1.0
  O  O36  1  0.443  0.333  0.687  1.0
  O  O37  1  0.058  0.328  0.700  1.0
  O  O38  1  0.751  0.179  0.391  1.0
  O  O39  1  0.749  0.179  0.891  1.0
  O  O40  1  0.760  0.141  0.203  1.0
  O  O41  1  0.740  0.141  0.703  1.0
  O  O42  1  0.237  0.057  0.571  1.0
  O  O43  1  0.263  0.057  0.071  1.0
[/CIF]
.