The structure described by NaMnCPO7 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(4), one O(6), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(13), one O(14), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(3), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(13), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(14), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 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 bent 150 degrees geometry to one Na(2) and one C(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mn(2), and one C(1) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mn(2) and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Mn(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mn(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one Mn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_NaMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.131
_cell_length_b   8.146
_cell_length_c   9.161
_cell_angle_alpha   91.365
_cell_angle_beta   91.487
_cell_angle_gamma   100.665
_symmetry_Int_Tables_number   1
_cell_volume   595.832
_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  0.146  0.601  0.755  1.0
  Na  Na1  1  0.850  0.896  0.755  1.0
  Na  Na2  1  0.150  0.104  0.245  1.0
  Na  Na3  1  0.854  0.399  0.245  1.0
  Mn  Mn4  1  0.274  0.022  0.660  1.0
  Mn  Mn5  1  0.761  0.512  0.655  1.0
  Mn  Mn6  1  0.239  0.488  0.345  1.0
  Mn  Mn7  1  0.726  0.978  0.340  1.0
  P  P8  1  0.485  0.737  0.567  1.0
  P  P9  1  0.983  0.231  0.566  1.0
  P  P10  1  0.515  0.263  0.433  1.0
  P  P11  1  0.017  0.769  0.434  1.0
  C  C12  1  0.737  0.492  0.918  1.0
  C  C13  1  0.240  0.986  0.921  1.0
  C  C14  1  0.263  0.508  0.082  1.0
  C  C15  1  0.760  0.014  0.079  1.0
  O  O16  1  0.276  0.519  0.949  1.0
  O  O17  1  0.778  0.034  0.948  1.0
  O  O18  1  0.352  0.100  0.860  1.0
  O  O19  1  0.852  0.603  0.853  1.0
  O  O20  1  0.641  0.396  0.819  1.0
  O  O21  1  0.144  0.892  0.816  1.0
  O  O22  1  0.619  0.677  0.665  1.0
  O  O23  1  0.111  0.168  0.668  1.0
  O  O24  1  0.417  0.859  0.672  1.0
  O  O25  1  0.925  0.368  0.663  1.0
  O  O26  1  0.339  0.589  0.526  1.0
  O  O27  1  0.443  0.185  0.573  1.0
  O  O28  1  0.941  0.695  0.577  1.0
  O  O29  1  0.836  0.085  0.525  1.0
  O  O30  1  0.661  0.411  0.473  1.0
  O  O31  1  0.557  0.815  0.427  1.0
  O  O32  1  0.059  0.305  0.423  1.0
  O  O33  1  0.164  0.915  0.475  1.0
  O  O34  1  0.583  0.141  0.328  1.0
  O  O35  1  0.381  0.323  0.335  1.0
  O  O36  1  0.075  0.632  0.337  1.0
  O  O37  1  0.889  0.832  0.332  1.0
  O  O38  1  0.359  0.604  0.181  1.0
  O  O39  1  0.856  0.108  0.184  1.0
  O  O40  1  0.648  0.900  0.140  1.0
  O  O41  1  0.148  0.397  0.147  1.0
  O  O42  1  0.724  0.481  0.051  1.0
  O  O43  1  0.222  0.966  0.052  1.0
[/CIF]
.
The structure described by NaMnCPO7 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(4), one O(6), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(13), one O(14), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(3), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(13), one O(4), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(14), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 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 bent 150 degrees geometry to one Na(2) and one C(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mn(2), and one C(1) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mn(2) and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Mn(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mn(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one Mn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_NaMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.131
_cell_length_b   8.146
_cell_length_c   9.161
_cell_angle_alpha   91.365
_cell_angle_beta   91.487
_cell_angle_gamma   100.665
_symmetry_Int_Tables_number   1
_cell_volume   595.832
_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  0.146  0.601  0.755  1.0
  Na  Na1  1  0.850  0.896  0.755  1.0
  Na  Na2  1  0.150  0.104  0.245  1.0
  Na  Na3  1  0.854  0.399  0.245  1.0
  Mn  Mn4  1  0.274  0.022  0.660  1.0
  Mn  Mn5  1  0.761  0.512  0.655  1.0
  Mn  Mn6  1  0.239  0.488  0.345  1.0
  Mn  Mn7  1  0.726  0.978  0.340  1.0
  P  P8  1  0.485  0.737  0.567  1.0
  P  P9  1  0.983  0.231  0.566  1.0
  P  P10  1  0.515  0.263  0.433  1.0
  P  P11  1  0.017  0.769  0.434  1.0
  C  C12  1  0.737  0.492  0.918  1.0
  C  C13  1  0.240  0.986  0.921  1.0
  C  C14  1  0.263  0.508  0.082  1.0
  C  C15  1  0.760  0.014  0.079  1.0
  O  O16  1  0.276  0.519  0.949  1.0
  O  O17  1  0.778  0.034  0.948  1.0
  O  O18  1  0.352  0.100  0.860  1.0
  O  O19  1  0.852  0.603  0.853  1.0
  O  O20  1  0.641  0.396  0.819  1.0
  O  O21  1  0.144  0.892  0.816  1.0
  O  O22  1  0.619  0.677  0.665  1.0
  O  O23  1  0.111  0.168  0.668  1.0
  O  O24  1  0.417  0.859  0.672  1.0
  O  O25  1  0.925  0.368  0.663  1.0
  O  O26  1  0.339  0.589  0.526  1.0
  O  O27  1  0.443  0.185  0.573  1.0
  O  O28  1  0.941  0.695  0.577  1.0
  O  O29  1  0.836  0.085  0.525  1.0
  O  O30  1  0.661  0.411  0.473  1.0
  O  O31  1  0.557  0.815  0.427  1.0
  O  O32  1  0.059  0.305  0.423  1.0
  O  O33  1  0.164  0.915  0.475  1.0
  O  O34  1  0.583  0.141  0.328  1.0
  O  O35  1  0.381  0.323  0.335  1.0
  O  O36  1  0.075  0.632  0.337  1.0
  O  O37  1  0.889  0.832  0.332  1.0
  O  O38  1  0.359  0.604  0.181  1.0
  O  O39  1  0.856  0.108  0.184  1.0
  O  O40  1  0.648  0.900  0.140  1.0
  O  O41  1  0.148  0.397  0.147  1.0
  O  O42  1  0.724  0.481  0.051  1.0
  O  O43  1  0.222  0.966  0.052  1.0
[/CIF]
.