The material described by Na2LiMnCPO7 crystallizes in the monoclinic Pc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(4), one O(5), and two equivalent O(1) atoms. In the second Na site, Na(2) 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. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(8), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(8), and one O(9) atom. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(14), and one O(2) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(6), and one O(8) atom to form distorted 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(14), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(2), one Li(2), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(2), one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Mn(1), and one P(1) atom to form distorted ONa2MnP trigonal pyramids that share  a cornercorner with one O(9)Na2MnP tetrahedra, corners with two equivalent O(6)NaLiMnP tetrahedra, and  a cornercorner with one O(12)Na3MnC trigonal bipyramid. In the sixth O site, O(6) is bonded to one Na(2), one Li(1), one Mn(2), and one P(1) atom to form distorted ONaLiMnP tetrahedra that share  a cornercorner with one O(12)Na3MnC trigonal bipyramid and corners with two equivalent O(5)Na2MnP trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded to one Na(3), one Na(4), one Mn(1), and one P(2) atom to form distorted ONa2MnP tetrahedra that share corners with two equivalent O(12)Na3MnC trigonal bipyramids,  a cornercorner with one O(5)Na2MnP trigonal pyramid, and  an edgeedge with one O(14)Na2LiC tetrahedra. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(2), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(2), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Na(1), one Na(3), one Na(4), one Mn(2), and one C(2) atom to form distorted ONa3MnC trigonal bipyramids that share  a cornercorner with one O(6)NaLiMnP tetrahedra, corners with two equivalent O(14)Na2LiC tetrahedra, corners with two equivalent O(9)Na2MnP tetrahedra, and  a cornercorner with one O(5)Na2MnP trigonal pyramid. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Mn(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded to one Na(3), one Na(4), one Li(2), and one C(1) atom to form distorted ONa2LiC tetrahedra that share corners with two equivalent O(12)Na3MnC trigonal bipyramids and  an edgeedge with one O(9)Na2MnP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.787
_cell_length_b   8.886
_cell_length_c   10.263
_cell_angle_alpha   89.480
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.906
_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  0.501  0.084  0.879  1.0
  Na  Na1  1  0.499  0.084  0.379  1.0
  Na  Na2  1  0.249  0.255  0.625  1.0
  Na  Na3  1  0.751  0.255  0.125  1.0
  Na  Na4  1  0.751  0.744  0.876  1.0
  Na  Na5  1  0.248  0.743  0.876  1.0
  Na  Na6  1  0.752  0.743  0.376  1.0
  Na  Na7  1  0.249  0.744  0.376  1.0
  Li  Li8  1  0.734  0.270  0.618  1.0
  Li  Li9  1  0.266  0.270  0.118  1.0
  Li  Li10  1  0.993  0.914  0.626  1.0
  Li  Li11  1  0.007  0.914  0.126  1.0
  Mn  Mn12  1  0.002  0.360  0.889  1.0
  Mn  Mn13  1  0.998  0.360  0.389  1.0
  Mn  Mn14  1  0.499  0.640  0.612  1.0
  Mn  Mn15  1  0.501  0.640  0.112  1.0
  P  P16  1  0.505  0.409  0.853  1.0
  P  P17  1  0.495  0.409  0.353  1.0
  P  P18  1  0.995  0.591  0.649  1.0
  P  P19  1  0.005  0.591  0.149  1.0
  C  C20  1  0.999  0.053  0.865  1.0
  C  C21  1  0.001  0.053  0.365  1.0
  C  C22  1  0.508  0.945  0.632  1.0
  C  C23  1  0.492  0.945  0.132  1.0
  O  O24  1  0.525  0.090  0.641  1.0
  O  O25  1  0.475  0.090  0.141  1.0
  O  O26  1  0.999  0.093  0.987  1.0
  O  O27  1  0.001  0.093  0.487  1.0
  O  O28  1  0.998  0.155  0.772  1.0
  O  O29  1  0.002  0.155  0.272  1.0
  O  O30  1  0.320  0.317  0.896  1.0
  O  O31  1  0.687  0.318  0.900  1.0
  O  O32  1  0.313  0.318  0.400  1.0
  O  O33  1  0.680  0.317  0.396  1.0
  O  O34  1  0.512  0.423  0.701  1.0
  O  O35  1  0.982  0.430  0.589  1.0
  O  O36  1  0.488  0.423  0.201  1.0
  O  O37  1  0.018  0.430  0.089  1.0
  O  O38  1  0.500  0.570  0.911  1.0
  O  O39  1  0.999  0.572  0.800  1.0
  O  O40  1  0.500  0.570  0.411  1.0
  O  O41  1  0.001  0.572  0.300  1.0
  O  O42  1  0.817  0.692  0.610  1.0
  O  O43  1  0.182  0.680  0.606  1.0
  O  O44  1  0.818  0.680  0.106  1.0
  O  O45  1  0.183  0.692  0.110  1.0
  O  O46  1  0.499  0.861  0.736  1.0
  O  O47  1  0.501  0.861  0.236  1.0
  O  O48  1  0.500  0.881  0.519  1.0
  O  O49  1  0.500  0.881  0.019  1.0
  O  O50  1  0.000  0.912  0.832  1.0
  O  O51  1  1.000  0.912  0.332  1.0
[/CIF]
.
The material described by Na2LiMnCPO7 crystallizes in the monoclinic Pc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(4), one O(5), and two equivalent O(1) atoms. In the second Na site, Na(2) 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. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(8), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(8), and one O(9) atom. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(14), and one O(2) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(6), and one O(8) atom to form distorted 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(14), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(2), one Li(2), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(2), one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Mn(1), and one P(1) atom to form distorted ONa2MnP trigonal pyramids that share  a cornercorner with one O(9)Na2MnP tetrahedra, corners with two equivalent O(6)NaLiMnP tetrahedra, and  a cornercorner with one O(12)Na3MnC trigonal bipyramid. In the sixth O site, O(6) is bonded to one Na(2), one Li(1), one Mn(2), and one P(1) atom to form distorted ONaLiMnP tetrahedra that share  a cornercorner with one O(12)Na3MnC trigonal bipyramid and corners with two equivalent O(5)Na2MnP trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded to one Na(3), one Na(4), one Mn(1), and one P(2) atom to form distorted ONa2MnP tetrahedra that share corners with two equivalent O(12)Na3MnC trigonal bipyramids,  a cornercorner with one O(5)Na2MnP trigonal pyramid, and  an edgeedge with one O(14)Na2LiC tetrahedra. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(2), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(2), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Na(1), one Na(3), one Na(4), one Mn(2), and one C(2) atom to form distorted ONa3MnC trigonal bipyramids that share  a cornercorner with one O(6)NaLiMnP tetrahedra, corners with two equivalent O(14)Na2LiC tetrahedra, corners with two equivalent O(9)Na2MnP tetrahedra, and  a cornercorner with one O(5)Na2MnP trigonal pyramid. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Mn(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded to one Na(3), one Na(4), one Li(2), and one C(1) atom to form distorted ONa2LiC tetrahedra that share corners with two equivalent O(12)Na3MnC trigonal bipyramids and  an edgeedge with one O(9)Na2MnP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.787
_cell_length_b   8.886
_cell_length_c   10.263
_cell_angle_alpha   89.480
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.906
_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  0.501  0.084  0.879  1.0
  Na  Na1  1  0.499  0.084  0.379  1.0
  Na  Na2  1  0.249  0.255  0.625  1.0
  Na  Na3  1  0.751  0.255  0.125  1.0
  Na  Na4  1  0.751  0.744  0.876  1.0
  Na  Na5  1  0.248  0.743  0.876  1.0
  Na  Na6  1  0.752  0.743  0.376  1.0
  Na  Na7  1  0.249  0.744  0.376  1.0
  Li  Li8  1  0.734  0.270  0.618  1.0
  Li  Li9  1  0.266  0.270  0.118  1.0
  Li  Li10  1  0.993  0.914  0.626  1.0
  Li  Li11  1  0.007  0.914  0.126  1.0
  Mn  Mn12  1  0.002  0.360  0.889  1.0
  Mn  Mn13  1  0.998  0.360  0.389  1.0
  Mn  Mn14  1  0.499  0.640  0.612  1.0
  Mn  Mn15  1  0.501  0.640  0.112  1.0
  P  P16  1  0.505  0.409  0.853  1.0
  P  P17  1  0.495  0.409  0.353  1.0
  P  P18  1  0.995  0.591  0.649  1.0
  P  P19  1  0.005  0.591  0.149  1.0
  C  C20  1  0.999  0.053  0.865  1.0
  C  C21  1  0.001  0.053  0.365  1.0
  C  C22  1  0.508  0.945  0.632  1.0
  C  C23  1  0.492  0.945  0.132  1.0
  O  O24  1  0.525  0.090  0.641  1.0
  O  O25  1  0.475  0.090  0.141  1.0
  O  O26  1  0.999  0.093  0.987  1.0
  O  O27  1  0.001  0.093  0.487  1.0
  O  O28  1  0.998  0.155  0.772  1.0
  O  O29  1  0.002  0.155  0.272  1.0
  O  O30  1  0.320  0.317  0.896  1.0
  O  O31  1  0.687  0.318  0.900  1.0
  O  O32  1  0.313  0.318  0.400  1.0
  O  O33  1  0.680  0.317  0.396  1.0
  O  O34  1  0.512  0.423  0.701  1.0
  O  O35  1  0.982  0.430  0.589  1.0
  O  O36  1  0.488  0.423  0.201  1.0
  O  O37  1  0.018  0.430  0.089  1.0
  O  O38  1  0.500  0.570  0.911  1.0
  O  O39  1  0.999  0.572  0.800  1.0
  O  O40  1  0.500  0.570  0.411  1.0
  O  O41  1  0.001  0.572  0.300  1.0
  O  O42  1  0.817  0.692  0.610  1.0
  O  O43  1  0.182  0.680  0.606  1.0
  O  O44  1  0.818  0.680  0.106  1.0
  O  O45  1  0.183  0.692  0.110  1.0
  O  O46  1  0.499  0.861  0.736  1.0
  O  O47  1  0.501  0.861  0.236  1.0
  O  O48  1  0.500  0.881  0.519  1.0
  O  O49  1  0.500  0.881  0.019  1.0
  O  O50  1  0.000  0.912  0.832  1.0
  O  O51  1  1.000  0.912  0.332  1.0
[/CIF]
.