The material described by Na2MnP2O7 is Esseneite-like structured and 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(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(7), two equivalent O(1), and three equivalent O(6) atoms. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-55°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-51°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Na(2), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), three equivalent Na(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.388
_cell_length_b   6.678
_cell_length_c   9.545
_cell_angle_alpha   109.840
_cell_angle_beta   95.261
_cell_angle_gamma   106.207
_symmetry_Int_Tables_number   1
_cell_volume   303.511
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.089  0.600  0.363  1.0
  Mn  Mn1  1  0.911  0.400  0.637  1.0
  Na  Na2  1  0.349  0.142  0.730  1.0
  Na  Na3  1  0.651  0.858  0.270  1.0
  Na  Na4  1  0.874  0.217  0.966  1.0
  Na  Na5  1  0.126  0.783  0.034  1.0
  O  O6  1  0.732  0.510  0.832  1.0
  O  O7  1  0.268  0.490  0.168  1.0
  O  O8  1  0.100  0.908  0.331  1.0
  O  O9  1  0.900  0.092  0.669  1.0
  O  O10  1  0.629  0.822  0.760  1.0
  O  O11  1  0.371  0.178  0.240  1.0
  O  O12  1  0.512  0.762  0.481  1.0
  O  O13  1  0.488  0.238  0.519  1.0
  O  O14  1  0.068  0.302  0.421  1.0
  O  O15  1  0.932  0.698  0.579  1.0
  O  O16  1  0.333  0.151  0.974  1.0
  O  O17  1  0.667  0.849  0.026  1.0
  O  O18  1  0.271  0.547  0.821  1.0
  O  O19  1  0.729  0.453  0.179  1.0
  P  P20  1  0.744  0.838  0.611  1.0
  P  P21  1  0.256  0.162  0.389  1.0
  P  P22  1  0.569  0.670  0.865  1.0
  P  P23  1  0.431  0.330  0.135  1.0
[/CIF]
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The material described by Na2MnP2O7 is Esseneite-like structured and 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(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(7), two equivalent O(1), and three equivalent O(6) atoms. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-55°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-51°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Na(2), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), three equivalent Na(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.388
_cell_length_b   6.678
_cell_length_c   9.545
_cell_angle_alpha   109.840
_cell_angle_beta   95.261
_cell_angle_gamma   106.207
_symmetry_Int_Tables_number   1
_cell_volume   303.511
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.089  0.600  0.363  1.0
  Mn  Mn1  1  0.911  0.400  0.637  1.0
  Na  Na2  1  0.349  0.142  0.730  1.0
  Na  Na3  1  0.651  0.858  0.270  1.0
  Na  Na4  1  0.874  0.217  0.966  1.0
  Na  Na5  1  0.126  0.783  0.034  1.0
  O  O6  1  0.732  0.510  0.832  1.0
  O  O7  1  0.268  0.490  0.168  1.0
  O  O8  1  0.100  0.908  0.331  1.0
  O  O9  1  0.900  0.092  0.669  1.0
  O  O10  1  0.629  0.822  0.760  1.0
  O  O11  1  0.371  0.178  0.240  1.0
  O  O12  1  0.512  0.762  0.481  1.0
  O  O13  1  0.488  0.238  0.519  1.0
  O  O14  1  0.068  0.302  0.421  1.0
  O  O15  1  0.932  0.698  0.579  1.0
  O  O16  1  0.333  0.151  0.974  1.0
  O  O17  1  0.667  0.849  0.026  1.0
  O  O18  1  0.271  0.547  0.821  1.0
  O  O19  1  0.729  0.453  0.179  1.0
  P  P20  1  0.744  0.838  0.611  1.0
  P  P21  1  0.256  0.162  0.389  1.0
  P  P22  1  0.569  0.670  0.865  1.0
  P  P23  1  0.431  0.330  0.135  1.0
[/CIF]
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