The crystal structure described by MnZnP2O7 crystallizes in the triclinic P-1 space group. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form MnO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-52°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.621
_cell_length_b   6.503
_cell_length_c   7.466
_cell_angle_alpha   81.605
_cell_angle_beta   85.782
_cell_angle_gamma   71.992
_symmetry_Int_Tables_number   1
_cell_volume   256.654
_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  0.264  0.156  0.195  1.0
  Mn  Mn1  1  0.736  0.844  0.806  1.0
  O  O2  1  0.110  0.685  0.898  1.0
  O  O3  1  0.890  0.315  0.102  1.0
  O  O4  1  0.315  0.861  0.102  1.0
  O  O5  1  0.685  0.140  0.898  1.0
  O  O6  1  0.357  0.455  0.169  1.0
  O  O7  1  0.643  0.546  0.831  1.0
  O  O8  1  0.616  0.648  0.426  1.0
  O  O9  1  0.384  0.352  0.574  1.0
  O  O10  1  0.047  0.218  0.459  1.0
  O  O11  1  0.953  0.782  0.541  1.0
  O  O12  1  0.064  0.271  0.795  1.0
  O  O13  1  0.936  0.729  0.205  1.0
  O  O14  1  0.621  0.040  0.331  1.0
  O  O15  1  0.379  0.960  0.669  1.0
  P  P16  1  0.198  0.683  0.089  1.0
  P  P17  1  0.803  0.317  0.911  1.0
  P  P18  1  0.220  0.198  0.615  1.0
  P  P19  1  0.780  0.802  0.385  1.0
  Zn  Zn20  1  0.331  0.652  0.653  1.0
  Zn  Zn21  1  0.669  0.348  0.347  1.0
[/CIF]
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The crystal structure described by MnZnP2O7 crystallizes in the triclinic P-1 space group. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form MnO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-52°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.621
_cell_length_b   6.503
_cell_length_c   7.466
_cell_angle_alpha   81.605
_cell_angle_beta   85.782
_cell_angle_gamma   71.992
_symmetry_Int_Tables_number   1
_cell_volume   256.654
_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  0.264  0.156  0.195  1.0
  Mn  Mn1  1  0.736  0.844  0.806  1.0
  O  O2  1  0.110  0.685  0.898  1.0
  O  O3  1  0.890  0.315  0.102  1.0
  O  O4  1  0.315  0.861  0.102  1.0
  O  O5  1  0.685  0.140  0.898  1.0
  O  O6  1  0.357  0.455  0.169  1.0
  O  O7  1  0.643  0.546  0.831  1.0
  O  O8  1  0.616  0.648  0.426  1.0
  O  O9  1  0.384  0.352  0.574  1.0
  O  O10  1  0.047  0.218  0.459  1.0
  O  O11  1  0.953  0.782  0.541  1.0
  O  O12  1  0.064  0.271  0.795  1.0
  O  O13  1  0.936  0.729  0.205  1.0
  O  O14  1  0.621  0.040  0.331  1.0
  O  O15  1  0.379  0.960  0.669  1.0
  P  P16  1  0.198  0.683  0.089  1.0
  P  P17  1  0.803  0.317  0.911  1.0
  P  P18  1  0.220  0.198  0.615  1.0
  P  P19  1  0.780  0.802  0.385  1.0
  Zn  Zn20  1  0.331  0.652  0.653  1.0
  Zn  Zn21  1  0.669  0.348  0.347  1.0
[/CIF]
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