The material described by MnZnPO5 crystallizes in the monoclinic Cc space group. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Zn(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 one Mn(1), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_MnZnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   6.981
_cell_length_c   8.297
_cell_angle_alpha   89.998
_cell_angle_beta   41.695
_cell_angle_gamma   72.205
_symmetry_Int_Tables_number   1
_cell_volume   190.032
_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  0.499  0.486  0.995  1.0
  Mn  Mn1  1  0.499  0.986  0.996  1.0
  Zn  Zn2  1  0.502  0.230  0.680  1.0
  Zn  Zn3  1  0.503  0.730  0.308  1.0
  P  P4  1  0.498  0.236  0.357  1.0
  P  P5  1  0.498  0.736  0.635  1.0
  O  O6  1  0.461  0.065  0.269  1.0
  O  O7  1  0.535  0.409  0.233  1.0
  O  O8  1  0.536  0.909  0.722  1.0
  O  O9  1  0.459  0.565  0.761  1.0
  O  O10  1  0.862  0.631  0.330  1.0
  O  O11  1  0.136  0.840  0.691  1.0
  O  O12  1  0.136  0.340  0.663  1.0
  O  O13  1  0.862  0.131  0.299  1.0
  O  O14  1  0.499  0.736  0.081  1.0
  O  O15  1  0.499  0.236  0.910  1.0
[/CIF]
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The material described by MnZnPO5 crystallizes in the monoclinic Cc space group. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Zn(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 one Mn(1), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_MnZnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   6.981
_cell_length_c   8.297
_cell_angle_alpha   89.998
_cell_angle_beta   41.695
_cell_angle_gamma   72.205
_symmetry_Int_Tables_number   1
_cell_volume   190.032
_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  0.499  0.486  0.995  1.0
  Mn  Mn1  1  0.499  0.986  0.996  1.0
  Zn  Zn2  1  0.502  0.230  0.680  1.0
  Zn  Zn3  1  0.503  0.730  0.308  1.0
  P  P4  1  0.498  0.236  0.357  1.0
  P  P5  1  0.498  0.736  0.635  1.0
  O  O6  1  0.461  0.065  0.269  1.0
  O  O7  1  0.535  0.409  0.233  1.0
  O  O8  1  0.536  0.909  0.722  1.0
  O  O9  1  0.459  0.565  0.761  1.0
  O  O10  1  0.862  0.631  0.330  1.0
  O  O11  1  0.136  0.840  0.691  1.0
  O  O12  1  0.136  0.340  0.663  1.0
  O  O13  1  0.862  0.131  0.299  1.0
  O  O14  1  0.499  0.736  0.081  1.0
  O  O15  1  0.499  0.236  0.910  1.0
[/CIF]
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