The compound described by Na3Li3Mn2P2(CO7)2 crystallizes in the triclinic P1 space group. There are three 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(6), one O(7), and two equivalent O(4) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and two equivalent O(14) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(8), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) 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. 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(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. 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(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. 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 5-coordinate geometry to one Na(2), one Na(3), one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Li(1), one Mn(1), and one P(1) atom to form distorted ONaLiMnP trigonal pyramids that share  a cornercorner with one O(9)Li2MnP tetrahedra and corners with two equivalent O(6)NaLiMnP tetrahedra. 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 corner-sharing ONaLiMnP tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate 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 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Mn(1), and one P(2) atom to form corner-sharing OLi2MnP tetrahedra. In the tenth O site, O(10) is bonded to one Na(3), one Li(2), one Mn(2), and one P(2) atom to form distorted ONaLiMnP trigonal pyramids that share  a cornercorner with one O(6)NaLiMnP tetrahedra and corners with two equivalent O(9)Li2MnP tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(3), one Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Na(1), one Li(2), one Li(3), one Mn(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Na(1), one Li(2), one Li(3), one Mn(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to two equivalent Na(3), one Li(2), one Li(3), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Li3Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.105
_cell_length_b   6.636
_cell_length_c   8.814
_cell_angle_alpha   90.746
_cell_angle_beta   90.319
_cell_angle_gamma   90.341
_symmetry_Int_Tables_number   1
_cell_volume   298.560
_cell_formula_units_Z   1
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  0.241  0.257  0.083  1.0
  Na  Na1  1  0.753  0.001  0.255  1.0
  Na  Na2  1  0.758  0.747  0.916  1.0
  Li  Li3  1  0.766  0.486  0.269  1.0
  Li  Li4  1  0.234  0.513  0.733  1.0
  Li  Li5  1  0.233  0.988  0.733  1.0
  Mn  Mn6  1  0.222  0.747  0.362  1.0
  Mn  Mn7  1  0.778  0.249  0.641  1.0
  P  P8  1  0.301  0.254  0.415  1.0
  P  P9  1  0.703  0.745  0.589  1.0
  C  C10  1  0.264  0.748  0.052  1.0
  C  C11  1  0.733  0.257  0.945  1.0
  O  O12  1  0.714  0.271  0.091  1.0
  O  O13  1  0.036  0.749  0.118  1.0
  O  O14  1  0.473  0.744  0.136  1.0
  O  O15  1  0.217  0.062  0.325  1.0
  O  O16  1  0.188  0.432  0.324  1.0
  O  O17  1  0.607  0.269  0.419  1.0
  O  O18  1  0.799  0.734  0.422  1.0
  O  O19  1  0.202  0.252  0.582  1.0
  O  O20  1  0.395  0.748  0.588  1.0
  O  O21  1  0.802  0.564  0.683  1.0
  O  O22  1  0.810  0.935  0.675  1.0
  O  O23  1  0.524  0.248  0.859  1.0
  O  O24  1  0.963  0.251  0.881  1.0
  O  O25  1  0.280  0.750  0.904  1.0
[/CIF]
.
The compound described by Na3Li3Mn2P2(CO7)2 crystallizes in the triclinic P1 space group. There are three 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(6), one O(7), and two equivalent O(4) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and two equivalent O(14) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(8), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) 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. 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(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-65°. 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(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. 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 5-coordinate geometry to one Na(2), one Na(3), one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Li(1), one Mn(1), and one P(1) atom to form distorted ONaLiMnP trigonal pyramids that share  a cornercorner with one O(9)Li2MnP tetrahedra and corners with two equivalent O(6)NaLiMnP tetrahedra. 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 corner-sharing ONaLiMnP tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate 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 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Mn(1), and one P(2) atom to form corner-sharing OLi2MnP tetrahedra. In the tenth O site, O(10) is bonded to one Na(3), one Li(2), one Mn(2), and one P(2) atom to form distorted ONaLiMnP trigonal pyramids that share  a cornercorner with one O(6)NaLiMnP tetrahedra and corners with two equivalent O(9)Li2MnP tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(3), one Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Na(1), one Li(2), one Li(3), one Mn(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Na(1), one Li(2), one Li(3), one Mn(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to two equivalent Na(3), one Li(2), one Li(3), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Li3Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.105
_cell_length_b   6.636
_cell_length_c   8.814
_cell_angle_alpha   90.746
_cell_angle_beta   90.319
_cell_angle_gamma   90.341
_symmetry_Int_Tables_number   1
_cell_volume   298.560
_cell_formula_units_Z   1
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  0.241  0.257  0.083  1.0
  Na  Na1  1  0.753  0.001  0.255  1.0
  Na  Na2  1  0.758  0.747  0.916  1.0
  Li  Li3  1  0.766  0.486  0.269  1.0
  Li  Li4  1  0.234  0.513  0.733  1.0
  Li  Li5  1  0.233  0.988  0.733  1.0
  Mn  Mn6  1  0.222  0.747  0.362  1.0
  Mn  Mn7  1  0.778  0.249  0.641  1.0
  P  P8  1  0.301  0.254  0.415  1.0
  P  P9  1  0.703  0.745  0.589  1.0
  C  C10  1  0.264  0.748  0.052  1.0
  C  C11  1  0.733  0.257  0.945  1.0
  O  O12  1  0.714  0.271  0.091  1.0
  O  O13  1  0.036  0.749  0.118  1.0
  O  O14  1  0.473  0.744  0.136  1.0
  O  O15  1  0.217  0.062  0.325  1.0
  O  O16  1  0.188  0.432  0.324  1.0
  O  O17  1  0.607  0.269  0.419  1.0
  O  O18  1  0.799  0.734  0.422  1.0
  O  O19  1  0.202  0.252  0.582  1.0
  O  O20  1  0.395  0.748  0.588  1.0
  O  O21  1  0.802  0.564  0.683  1.0
  O  O22  1  0.810  0.935  0.675  1.0
  O  O23  1  0.524  0.248  0.859  1.0
  O  O24  1  0.963  0.251  0.881  1.0
  O  O25  1  0.280  0.750  0.904  1.0
[/CIF]
.