The material described by MnNiP2O9 crystallizes in the triclinic P1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(17), one O(24), one O(27), one O(32), and one O(36) atom to form MnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(14), one O(18), one O(23), one O(28), one O(31), and one O(35) atom to form MnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to one O(15), one O(19), one O(22), one O(25), one O(30), and one O(34) atom to form MnO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Mn site, Mn(4) is bonded to one O(16), one O(20), one O(21), one O(26), one O(29), and one O(33) atom to form MnO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(4), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ni site, Ni(2) is bonded to one O(10), one O(15), one O(16), one O(2), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(15), one O(16), one O(5), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Ni site, Ni(4) is bonded to one O(11), one O(12), one O(13), one O(14), one O(3), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(24), one O(27), and one O(35) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-51°. In the second P site, P(2) is bonded to one O(11), one O(23), one O(28), and one O(36) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-51°. In the third P site, P(3) is bonded to one O(10), one O(22), one O(25), and one O(33) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-51°. In the fourth P site, P(4) is bonded to one O(21), one O(26), one O(34), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-51°. In the fifth P site, P(5) is bonded to one O(17), one O(2), one O(32), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the sixth P site, P(6) is bonded to one O(1), one O(18), one O(31), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the seventh P site, P(7) is bonded to one O(19), one O(30), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the eighth P site, P(8) is bonded to one O(20), one O(29), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(4) and one P(8) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(7) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(6) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(4) and one P(7) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(4), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Ni(1), and one Ni(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mn(2), one Ni(1), and one Ni(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mn(3), one Ni(2), and one Ni(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(4), one Ni(2), and one Ni(3) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Mn(1) and one P(5) atom. In the eighteenth O site, O(18) is bonded in an L-shaped geometry to one Mn(2) and one P(6) atom. In the nineteenth O site, O(19) is bonded in an L-shaped geometry to one Mn(3) and one P(7) atom. In the twentieth O site, O(20) is bonded in an L-shaped geometry to one Mn(4) and one P(8) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the twenty-ninth O site, O(29) is bonded in an L-shaped geometry to one Mn(4) and one P(8) atom. In the thirtieth O site, O(30) is bonded in an L-shaped geometry to one Mn(3) and one P(7) atom. In the thirty-first O site, O(31) is bonded in an L-shaped geometry to one Mn(2) and one P(6) atom. In the thirty-second O site, O(32) is bonded in an L-shaped geometry to one Mn(1) and one P(5) atom. In the thirty-third O site, O(33) is bonded in a linear geometry to one Mn(4) and one P(3) atom. In the thirty-fourth O site, O(34) is bonded in a linear geometry to one Mn(3) and one P(4) atom. In the thirty-fifth O site, O(35) is bonded in a linear geometry to one Mn(2) and one P(1) atom. In the thirty-sixth O site, O(36) is bonded in a linear geometry to one Mn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNiP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   7.744
_cell_length_c   13.870
_cell_angle_alpha   90.051
_cell_angle_beta   89.812
_cell_angle_gamma   90.100
_symmetry_Int_Tables_number   1
_cell_volume   669.413
_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
  Mn  Mn0  1  0.750  0.352  0.880  1.0
  Mn  Mn1  1  0.250  0.648  0.120  1.0
  Mn  Mn2  1  0.250  0.854  0.620  1.0
  Mn  Mn3  1  0.750  0.146  0.380  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  1.000  0.500  0.500  1.0
  Ni  Ni7  1  1.000  0.000  0.000  1.0
  P  P8  1  0.249  0.350  0.938  1.0
  P  P9  1  0.751  0.651  0.062  1.0
  P  P10  1  0.750  0.849  0.562  1.0
  P  P11  1  0.250  0.150  0.438  1.0
  P  P12  1  0.750  0.391  0.692  1.0
  P  P13  1  0.250  0.609  0.308  1.0
  P  P14  1  0.250  0.893  0.809  1.0
  P  P15  1  0.750  0.107  0.192  1.0
  O  O16  1  0.046  0.601  0.370  1.0
  O  O17  1  0.546  0.398  0.630  1.0
  O  O18  1  0.955  0.099  0.130  1.0
  O  O19  1  0.453  0.900  0.870  1.0
  O  O20  1  0.954  0.398  0.630  1.0
  O  O21  1  0.454  0.601  0.370  1.0
  O  O22  1  0.045  0.900  0.870  1.0
  O  O23  1  0.546  0.101  0.130  1.0
  O  O24  1  0.250  0.336  0.481  1.0
  O  O25  1  0.750  0.664  0.519  1.0
  O  O26  1  0.751  0.836  0.019  1.0
  O  O27  1  0.249  0.164  0.981  1.0
  O  O28  1  0.749  0.149  0.953  1.0
  O  O29  1  0.251  0.852  0.048  1.0
  O  O30  1  0.250  0.649  0.548  1.0
  O  O31  1  0.750  0.351  0.452  1.0
  O  O32  1  0.750  0.226  0.758  1.0
  O  O33  1  0.250  0.774  0.242  1.0
  O  O34  1  0.248  0.728  0.742  1.0
  O  O35  1  0.752  0.272  0.258  1.0
  O  O36  1  0.447  0.134  0.371  1.0
  O  O37  1  0.946  0.867  0.629  1.0
  O  O38  1  0.554  0.635  0.129  1.0
  O  O39  1  0.054  0.366  0.871  1.0
  O  O40  1  0.553  0.866  0.629  1.0
  O  O41  1  0.054  0.134  0.371  1.0
  O  O42  1  0.446  0.365  0.871  1.0
  O  O43  1  0.946  0.635  0.129  1.0
  O  O44  1  0.750  0.966  0.273  1.0
  O  O45  1  0.250  0.034  0.728  1.0
  O  O46  1  0.250  0.468  0.227  1.0
  O  O47  1  0.750  0.532  0.773  1.0
  O  O48  1  0.750  0.986  0.483  1.0
  O  O49  1  0.250  0.013  0.516  1.0
  O  O50  1  0.250  0.487  0.016  1.0
  O  O51  1  0.750  0.513  0.984  1.0
[/CIF]
.
The material described by MnNiP2O9 crystallizes in the triclinic P1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(17), one O(24), one O(27), one O(32), and one O(36) atom to form MnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(14), one O(18), one O(23), one O(28), one O(31), and one O(35) atom to form MnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to one O(15), one O(19), one O(22), one O(25), one O(30), and one O(34) atom to form MnO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Mn site, Mn(4) is bonded to one O(16), one O(20), one O(21), one O(26), one O(29), and one O(33) atom to form MnO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(4), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ni site, Ni(2) is bonded to one O(10), one O(15), one O(16), one O(2), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third Ni site, Ni(3) is bonded to one O(1), one O(10), one O(15), one O(16), one O(5), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Ni site, Ni(4) is bonded to one O(11), one O(12), one O(13), one O(14), one O(3), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(24), one O(27), and one O(35) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-51°. In the second P site, P(2) is bonded to one O(11), one O(23), one O(28), and one O(36) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-51°. In the third P site, P(3) is bonded to one O(10), one O(22), one O(25), and one O(33) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-51°. In the fourth P site, P(4) is bonded to one O(21), one O(26), one O(34), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-51°. In the fifth P site, P(5) is bonded to one O(17), one O(2), one O(32), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the sixth P site, P(6) is bonded to one O(1), one O(18), one O(31), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the seventh P site, P(7) is bonded to one O(19), one O(30), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the eighth P site, P(8) is bonded to one O(20), one O(29), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(4) and one P(8) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(7) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(6) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(4) and one P(7) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(4), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Ni(1), and one Ni(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mn(2), one Ni(1), and one Ni(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mn(3), one Ni(2), and one Ni(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(4), one Ni(2), and one Ni(3) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Mn(1) and one P(5) atom. In the eighteenth O site, O(18) is bonded in an L-shaped geometry to one Mn(2) and one P(6) atom. In the nineteenth O site, O(19) is bonded in an L-shaped geometry to one Mn(3) and one P(7) atom. In the twentieth O site, O(20) is bonded in an L-shaped geometry to one Mn(4) and one P(8) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the twenty-ninth O site, O(29) is bonded in an L-shaped geometry to one Mn(4) and one P(8) atom. In the thirtieth O site, O(30) is bonded in an L-shaped geometry to one Mn(3) and one P(7) atom. In the thirty-first O site, O(31) is bonded in an L-shaped geometry to one Mn(2) and one P(6) atom. In the thirty-second O site, O(32) is bonded in an L-shaped geometry to one Mn(1) and one P(5) atom. In the thirty-third O site, O(33) is bonded in a linear geometry to one Mn(4) and one P(3) atom. In the thirty-fourth O site, O(34) is bonded in a linear geometry to one Mn(3) and one P(4) atom. In the thirty-fifth O site, O(35) is bonded in a linear geometry to one Mn(2) and one P(1) atom. In the thirty-sixth O site, O(36) is bonded in a linear geometry to one Mn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNiP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   7.744
_cell_length_c   13.870
_cell_angle_alpha   90.051
_cell_angle_beta   89.812
_cell_angle_gamma   90.100
_symmetry_Int_Tables_number   1
_cell_volume   669.413
_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
  Mn  Mn0  1  0.750  0.352  0.880  1.0
  Mn  Mn1  1  0.250  0.648  0.120  1.0
  Mn  Mn2  1  0.250  0.854  0.620  1.0
  Mn  Mn3  1  0.750  0.146  0.380  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  1.000  0.500  0.500  1.0
  Ni  Ni7  1  1.000  0.000  0.000  1.0
  P  P8  1  0.249  0.350  0.938  1.0
  P  P9  1  0.751  0.651  0.062  1.0
  P  P10  1  0.750  0.849  0.562  1.0
  P  P11  1  0.250  0.150  0.438  1.0
  P  P12  1  0.750  0.391  0.692  1.0
  P  P13  1  0.250  0.609  0.308  1.0
  P  P14  1  0.250  0.893  0.809  1.0
  P  P15  1  0.750  0.107  0.192  1.0
  O  O16  1  0.046  0.601  0.370  1.0
  O  O17  1  0.546  0.398  0.630  1.0
  O  O18  1  0.955  0.099  0.130  1.0
  O  O19  1  0.453  0.900  0.870  1.0
  O  O20  1  0.954  0.398  0.630  1.0
  O  O21  1  0.454  0.601  0.370  1.0
  O  O22  1  0.045  0.900  0.870  1.0
  O  O23  1  0.546  0.101  0.130  1.0
  O  O24  1  0.250  0.336  0.481  1.0
  O  O25  1  0.750  0.664  0.519  1.0
  O  O26  1  0.751  0.836  0.019  1.0
  O  O27  1  0.249  0.164  0.981  1.0
  O  O28  1  0.749  0.149  0.953  1.0
  O  O29  1  0.251  0.852  0.048  1.0
  O  O30  1  0.250  0.649  0.548  1.0
  O  O31  1  0.750  0.351  0.452  1.0
  O  O32  1  0.750  0.226  0.758  1.0
  O  O33  1  0.250  0.774  0.242  1.0
  O  O34  1  0.248  0.728  0.742  1.0
  O  O35  1  0.752  0.272  0.258  1.0
  O  O36  1  0.447  0.134  0.371  1.0
  O  O37  1  0.946  0.867  0.629  1.0
  O  O38  1  0.554  0.635  0.129  1.0
  O  O39  1  0.054  0.366  0.871  1.0
  O  O40  1  0.553  0.866  0.629  1.0
  O  O41  1  0.054  0.134  0.371  1.0
  O  O42  1  0.446  0.365  0.871  1.0
  O  O43  1  0.946  0.635  0.129  1.0
  O  O44  1  0.750  0.966  0.273  1.0
  O  O45  1  0.250  0.034  0.728  1.0
  O  O46  1  0.250  0.468  0.227  1.0
  O  O47  1  0.750  0.532  0.773  1.0
  O  O48  1  0.750  0.986  0.483  1.0
  O  O49  1  0.250  0.013  0.516  1.0
  O  O50  1  0.250  0.487  0.016  1.0
  O  O51  1  0.750  0.513  0.984  1.0
[/CIF]
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