The material described by Na5LiMn2P2(CO7)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(7), one O(8), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(12), and two equivalent O(9) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(6), one O(8), and two equivalent O(4) atoms 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(5), one O(7), and two equivalent O(9) atoms to form distorted MnO5 trigonal bipyramids 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(12), 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(10), and one O(11) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second P site, P(2) is bonded to one O(6), one O(8), and two equivalent O(9) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Li(1), and one C(2) atom to form distorted edge-sharing ONa2LiC tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(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(3), two equivalent Na(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(1), one Mn(2), and one P(1) atom to form distorted edge-sharing ONa2MnP tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to two equivalent Na(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Mn(2), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Na(3), and one C(1) atom. is represented by the CIF card [CIF]
data_Na5LiMn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.988
_cell_length_b   6.856
_cell_length_c   5.195
_cell_angle_alpha   89.995
_cell_angle_beta   88.519
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   319.989
_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  0.254  0.004  0.253  1.0
  Na  Na1  1  0.254  0.496  0.253  1.0
  Na  Na2  1  0.741  0.502  0.741  1.0
  Na  Na3  1  0.741  0.998  0.741  1.0
  Na  Na4  1  0.913  0.750  0.234  1.0
  Li  Li5  1  0.107  0.250  0.766  1.0
  Mn  Mn6  1  0.357  0.750  0.777  1.0
  Mn  Mn7  1  0.633  0.250  0.219  1.0
  P  P8  1  0.406  0.250  0.711  1.0
  P  P9  1  0.586  0.750  0.283  1.0
  C  C10  1  0.059  0.750  0.729  1.0
  C  C11  1  0.951  0.250  0.281  1.0
  O  O12  1  0.082  0.250  0.382  1.0
  O  O13  1  0.116  0.750  0.956  1.0
  O  O14  1  0.149  0.750  0.527  1.0
  O  O15  1  0.312  0.070  0.796  1.0
  O  O16  1  0.312  0.430  0.796  1.0
  O  O17  1  0.426  0.250  0.412  1.0
  O  O18  1  0.428  0.750  0.168  1.0
  O  O19  1  0.564  0.250  0.828  1.0
  O  O20  1  0.567  0.750  0.583  1.0
  O  O21  1  0.678  0.567  0.197  1.0
  O  O22  1  0.678  0.933  0.197  1.0
  O  O23  1  0.834  0.250  0.436  1.0
  O  O24  1  0.936  0.250  0.033  1.0
  O  O25  1  0.916  0.750  0.701  1.0
[/CIF]
.
The material described by Na5LiMn2P2(CO7)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(7), one O(8), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(12), and two equivalent O(9) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(6), one O(8), and two equivalent O(4) atoms 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(5), one O(7), and two equivalent O(9) atoms to form distorted MnO5 trigonal bipyramids 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(12), 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(10), and one O(11) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second P site, P(2) is bonded to one O(6), one O(8), and two equivalent O(9) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Li(1), and one C(2) atom to form distorted edge-sharing ONa2LiC tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(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(3), two equivalent Na(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(1), one Mn(2), and one P(1) atom to form distorted edge-sharing ONa2MnP tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to two equivalent Na(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Mn(2), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Na(3), and one C(1) atom. is represented by the CIF card [CIF]
data_Na5LiMn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.988
_cell_length_b   6.856
_cell_length_c   5.195
_cell_angle_alpha   89.995
_cell_angle_beta   88.519
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   319.989
_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  0.254  0.004  0.253  1.0
  Na  Na1  1  0.254  0.496  0.253  1.0
  Na  Na2  1  0.741  0.502  0.741  1.0
  Na  Na3  1  0.741  0.998  0.741  1.0
  Na  Na4  1  0.913  0.750  0.234  1.0
  Li  Li5  1  0.107  0.250  0.766  1.0
  Mn  Mn6  1  0.357  0.750  0.777  1.0
  Mn  Mn7  1  0.633  0.250  0.219  1.0
  P  P8  1  0.406  0.250  0.711  1.0
  P  P9  1  0.586  0.750  0.283  1.0
  C  C10  1  0.059  0.750  0.729  1.0
  C  C11  1  0.951  0.250  0.281  1.0
  O  O12  1  0.082  0.250  0.382  1.0
  O  O13  1  0.116  0.750  0.956  1.0
  O  O14  1  0.149  0.750  0.527  1.0
  O  O15  1  0.312  0.070  0.796  1.0
  O  O16  1  0.312  0.430  0.796  1.0
  O  O17  1  0.426  0.250  0.412  1.0
  O  O18  1  0.428  0.750  0.168  1.0
  O  O19  1  0.564  0.250  0.828  1.0
  O  O20  1  0.567  0.750  0.583  1.0
  O  O21  1  0.678  0.567  0.197  1.0
  O  O22  1  0.678  0.933  0.197  1.0
  O  O23  1  0.834  0.250  0.436  1.0
  O  O24  1  0.936  0.250  0.033  1.0
  O  O25  1  0.916  0.750  0.701  1.0
[/CIF]
.