The structure described by NaMnCPO7 crystallizes in the monoclinic Cm 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(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), one O(17), and one O(18) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(3), one O(4), one O(8), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(11), one O(14), one O(15), one O(16), one O(17), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(18), one O(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(19), one O(2), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(16), and one O(17) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. In the second P site, P(2) is bonded to one O(12), one O(8), and two equivalent O(14) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the third P site, P(3) is bonded to one O(10), one O(13), and two equivalent O(15) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-45°. There are nineteen 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(3) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(2) and one C(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to two equivalent Na(1), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Mn(2), 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. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Mn(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(2), one Mn(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Mn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Mn(3), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(2), one Mn(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one Mn(3), and one C(3) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Na(2), one Mn(3), and one C(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one C(1) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF card [CIF]
data_NaMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.172
_cell_length_b   8.172
_cell_length_c   10.274
_cell_angle_alpha   72.299
_cell_angle_beta   72.299
_cell_angle_gamma   100.435
_symmetry_Int_Tables_number   1
_cell_volume   593.697
_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  0.269  0.981  0.754  1.0
  Na  Na1  1  0.981  0.269  0.754  1.0
  Na  Na2  1  0.510  0.758  0.234  1.0
  Na  Na3  1  0.758  0.510  0.234  1.0
  Mn  Mn4  1  0.936  0.936  0.651  1.0
  Mn  Mn5  1  0.441  0.441  0.666  1.0
  Mn  Mn6  1  0.562  0.061  0.343  1.0
  Mn  Mn7  1  0.061  0.562  0.343  1.0
  P  P8  1  0.201  0.699  0.569  1.0
  P  P9  1  0.699  0.201  0.569  1.0
  P  P10  1  0.305  0.305  0.430  1.0
  P  P11  1  0.797  0.797  0.433  1.0
  C  C12  1  0.782  0.782  0.917  1.0
  C  C13  1  0.272  0.272  0.933  1.0
  C  C14  1  0.719  0.221  0.077  1.0
  C  C15  1  0.221  0.719  0.077  1.0
  O  O16  1  0.306  0.798  0.943  1.0
  O  O17  1  0.798  0.306  0.943  1.0
  O  O18  1  0.415  0.415  0.871  1.0
  O  O19  1  0.925  0.925  0.852  1.0
  O  O20  1  0.736  0.736  0.819  1.0
  O  O21  1  0.231  0.231  0.827  1.0
  O  O22  1  0.269  0.577  0.675  1.0
  O  O23  1  0.095  0.789  0.665  1.0
  O  O24  1  0.789  0.095  0.665  1.0
  O  O25  1  0.577  0.269  0.675  1.0
  O  O26  1  0.158  0.158  0.574  1.0
  O  O27  1  0.576  0.074  0.527  1.0
  O  O28  1  0.074  0.576  0.527  1.0
  O  O29  1  0.652  0.652  0.576  1.0
  O  O30  1  0.353  0.841  0.427  1.0
  O  O31  1  0.432  0.432  0.471  1.0
  O  O32  1  0.923  0.923  0.472  1.0
  O  O33  1  0.841  0.353  0.427  1.0
  O  O34  1  0.227  0.422  0.330  1.0
  O  O35  1  0.422  0.227  0.330  1.0
  O  O36  1  0.714  0.906  0.330  1.0
  O  O37  1  0.906  0.714  0.330  1.0
  O  O38  1  0.764  0.263  0.179  1.0
  O  O39  1  0.263  0.764  0.179  1.0
  O  O40  1  0.579  0.075  0.142  1.0
  O  O41  1  0.075  0.579  0.142  1.0
  O  O42  1  0.702  0.702  0.054  1.0
  O  O43  1  0.188  0.188  0.066  1.0
[/CIF]
.
The structure described by NaMnCPO7 crystallizes in the monoclinic Cm 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(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), one O(17), and one O(18) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(3), one O(4), one O(8), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(11), one O(14), one O(15), one O(16), one O(17), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(18), one O(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(19), one O(2), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(16), and one O(17) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. In the second P site, P(2) is bonded to one O(12), one O(8), and two equivalent O(14) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the third P site, P(3) is bonded to one O(10), one O(13), and two equivalent O(15) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-45°. There are nineteen 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(3) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(2) and one C(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to two equivalent Na(1), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Mn(2), 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. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Mn(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(2), one Mn(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Mn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Mn(3), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(2), one Mn(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one Mn(3), and one C(3) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Na(2), one Mn(3), and one C(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one C(1) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF card [CIF]
data_NaMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.172
_cell_length_b   8.172
_cell_length_c   10.274
_cell_angle_alpha   72.299
_cell_angle_beta   72.299
_cell_angle_gamma   100.435
_symmetry_Int_Tables_number   1
_cell_volume   593.697
_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  0.269  0.981  0.754  1.0
  Na  Na1  1  0.981  0.269  0.754  1.0
  Na  Na2  1  0.510  0.758  0.234  1.0
  Na  Na3  1  0.758  0.510  0.234  1.0
  Mn  Mn4  1  0.936  0.936  0.651  1.0
  Mn  Mn5  1  0.441  0.441  0.666  1.0
  Mn  Mn6  1  0.562  0.061  0.343  1.0
  Mn  Mn7  1  0.061  0.562  0.343  1.0
  P  P8  1  0.201  0.699  0.569  1.0
  P  P9  1  0.699  0.201  0.569  1.0
  P  P10  1  0.305  0.305  0.430  1.0
  P  P11  1  0.797  0.797  0.433  1.0
  C  C12  1  0.782  0.782  0.917  1.0
  C  C13  1  0.272  0.272  0.933  1.0
  C  C14  1  0.719  0.221  0.077  1.0
  C  C15  1  0.221  0.719  0.077  1.0
  O  O16  1  0.306  0.798  0.943  1.0
  O  O17  1  0.798  0.306  0.943  1.0
  O  O18  1  0.415  0.415  0.871  1.0
  O  O19  1  0.925  0.925  0.852  1.0
  O  O20  1  0.736  0.736  0.819  1.0
  O  O21  1  0.231  0.231  0.827  1.0
  O  O22  1  0.269  0.577  0.675  1.0
  O  O23  1  0.095  0.789  0.665  1.0
  O  O24  1  0.789  0.095  0.665  1.0
  O  O25  1  0.577  0.269  0.675  1.0
  O  O26  1  0.158  0.158  0.574  1.0
  O  O27  1  0.576  0.074  0.527  1.0
  O  O28  1  0.074  0.576  0.527  1.0
  O  O29  1  0.652  0.652  0.576  1.0
  O  O30  1  0.353  0.841  0.427  1.0
  O  O31  1  0.432  0.432  0.471  1.0
  O  O32  1  0.923  0.923  0.472  1.0
  O  O33  1  0.841  0.353  0.427  1.0
  O  O34  1  0.227  0.422  0.330  1.0
  O  O35  1  0.422  0.227  0.330  1.0
  O  O36  1  0.714  0.906  0.330  1.0
  O  O37  1  0.906  0.714  0.330  1.0
  O  O38  1  0.764  0.263  0.179  1.0
  O  O39  1  0.263  0.764  0.179  1.0
  O  O40  1  0.579  0.075  0.142  1.0
  O  O41  1  0.075  0.579  0.142  1.0
  O  O42  1  0.702  0.702  0.054  1.0
  O  O43  1  0.188  0.188  0.066  1.0
[/CIF]
.