The compound described by Mn3Zn9(PO4)8 crystallizes in the triclinic P-1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent P(4)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(11), two equivalent O(15), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(3)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(16) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(4)O4 tetrahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(3), one O(5), and one O(6) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(12), one O(16), one O(4), one O(5), and one O(6) atom. In the third Zn site, Zn(3) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(7), one O(8), and one O(9) atom. In the fourth Zn site, Zn(4) is bonded in a 5-coordinate geometry to one O(10), one O(14), one O(2), one O(7), and one O(8) atom. In the fifth Zn site, Zn(5) is bonded to two equivalent O(13), two equivalent O(3), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and corners with two equivalent Zn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-57°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(5)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Zn(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Zn(4), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(5), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zn(3), one Zn(4), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Zn(3), one Zn(4), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Zn(3), one Zn(5), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(4), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(2), one Zn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(3), one Zn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Zn(3), one Zn(5), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(1), one Zn(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(2), one Zn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(3), one Zn(2), and one P(4) atom. is represented by the CIF file [CIF]
data_Mn3Zn9(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   11.586
_cell_length_c   11.593
_cell_angle_alpha   96.868
_cell_angle_beta   93.184
_cell_angle_gamma   93.451
_symmetry_Int_Tables_number   1
_cell_volume   680.993
_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
  Mn  Mn0  1  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.421  0.121  0.757  1.0
  Zn  Zn4  1  0.421  0.622  0.257  1.0
  Zn  Zn5  1  0.922  0.758  0.621  1.0
  Zn  Zn6  1  0.921  0.257  0.122  1.0
  Zn  Zn7  1  0.579  0.879  0.243  1.0
  Zn  Zn8  1  0.579  0.378  0.743  1.0
  Zn  Zn9  1  0.078  0.242  0.379  1.0
  Zn  Zn10  1  0.079  0.743  0.878  1.0
  Zn  Zn11  1  0.000  0.000  0.500  1.0
  P  P12  1  0.469  0.805  0.496  1.0
  P  P13  1  0.466  0.303  0.997  1.0
  P  P14  1  0.966  0.997  0.802  1.0
  P  P15  1  0.966  0.497  0.303  1.0
  P  P16  1  0.531  0.195  0.504  1.0
  P  P17  1  0.534  0.697  0.003  1.0
  P  P18  1  0.034  0.003  0.198  1.0
  P  P19  1  0.034  0.503  0.697  1.0
  O  O20  1  0.567  0.695  0.550  1.0
  O  O21  1  0.568  0.194  0.050  1.0
  O  O22  1  0.068  0.049  0.692  1.0
  O  O23  1  0.068  0.550  0.194  1.0
  O  O24  1  0.433  0.305  0.450  1.0
  O  O25  1  0.432  0.806  0.950  1.0
  O  O26  1  0.932  0.951  0.308  1.0
  O  O27  1  0.932  0.450  0.806  1.0
  O  O28  1  0.453  0.779  0.360  1.0
  O  O29  1  0.453  0.279  0.861  1.0
  O  O30  1  0.953  0.860  0.779  1.0
  O  O31  1  0.953  0.360  0.279  1.0
  O  O32  1  0.547  0.221  0.640  1.0
  O  O33  1  0.547  0.721  0.139  1.0
  O  O34  1  0.047  0.140  0.221  1.0
  O  O35  1  0.047  0.640  0.721  1.0
  O  O36  1  0.190  0.833  0.534  1.0
  O  O37  1  0.188  0.330  0.034  1.0
  O  O38  1  0.688  0.034  0.830  1.0
  O  O39  1  0.688  0.534  0.330  1.0
  O  O40  1  0.810  0.167  0.466  1.0
  O  O41  1  0.812  0.670  0.966  1.0
  O  O42  1  0.312  0.966  0.170  1.0
  O  O43  1  0.312  0.466  0.670  1.0
  O  O44  1  0.671  0.907  0.540  1.0
  O  O45  1  0.664  0.405  0.041  1.0
  O  O46  1  0.164  0.041  0.904  1.0
  O  O47  1  0.164  0.541  0.405  1.0
  O  O48  1  0.329  0.093  0.460  1.0
  O  O49  1  0.336  0.595  0.959  1.0
  O  O50  1  0.836  0.959  0.096  1.0
  O  O51  1  0.836  0.459  0.595  1.0
[/CIF]
.
The compound described by Mn3Zn9(PO4)8 crystallizes in the triclinic P-1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent P(4)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(11), two equivalent O(15), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(3)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(16) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(4)O4 tetrahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(3), one O(5), and one O(6) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(12), one O(16), one O(4), one O(5), and one O(6) atom. In the third Zn site, Zn(3) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(7), one O(8), and one O(9) atom. In the fourth Zn site, Zn(4) is bonded in a 5-coordinate geometry to one O(10), one O(14), one O(2), one O(7), and one O(8) atom. In the fifth Zn site, Zn(5) is bonded to two equivalent O(13), two equivalent O(3), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra and corners with two equivalent Zn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-57°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(5)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Zn(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Zn(4), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(5), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zn(3), one Zn(4), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Zn(3), one Zn(4), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Zn(3), one Zn(5), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(4), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(2), one Zn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(3), one Zn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Zn(3), one Zn(5), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(1), one Zn(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(2), one Zn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(3), one Zn(2), and one P(4) atom. is represented by the CIF file [CIF]
data_Mn3Zn9(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   11.586
_cell_length_c   11.593
_cell_angle_alpha   96.868
_cell_angle_beta   93.184
_cell_angle_gamma   93.451
_symmetry_Int_Tables_number   1
_cell_volume   680.993
_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
  Mn  Mn0  1  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.421  0.121  0.757  1.0
  Zn  Zn4  1  0.421  0.622  0.257  1.0
  Zn  Zn5  1  0.922  0.758  0.621  1.0
  Zn  Zn6  1  0.921  0.257  0.122  1.0
  Zn  Zn7  1  0.579  0.879  0.243  1.0
  Zn  Zn8  1  0.579  0.378  0.743  1.0
  Zn  Zn9  1  0.078  0.242  0.379  1.0
  Zn  Zn10  1  0.079  0.743  0.878  1.0
  Zn  Zn11  1  0.000  0.000  0.500  1.0
  P  P12  1  0.469  0.805  0.496  1.0
  P  P13  1  0.466  0.303  0.997  1.0
  P  P14  1  0.966  0.997  0.802  1.0
  P  P15  1  0.966  0.497  0.303  1.0
  P  P16  1  0.531  0.195  0.504  1.0
  P  P17  1  0.534  0.697  0.003  1.0
  P  P18  1  0.034  0.003  0.198  1.0
  P  P19  1  0.034  0.503  0.697  1.0
  O  O20  1  0.567  0.695  0.550  1.0
  O  O21  1  0.568  0.194  0.050  1.0
  O  O22  1  0.068  0.049  0.692  1.0
  O  O23  1  0.068  0.550  0.194  1.0
  O  O24  1  0.433  0.305  0.450  1.0
  O  O25  1  0.432  0.806  0.950  1.0
  O  O26  1  0.932  0.951  0.308  1.0
  O  O27  1  0.932  0.450  0.806  1.0
  O  O28  1  0.453  0.779  0.360  1.0
  O  O29  1  0.453  0.279  0.861  1.0
  O  O30  1  0.953  0.860  0.779  1.0
  O  O31  1  0.953  0.360  0.279  1.0
  O  O32  1  0.547  0.221  0.640  1.0
  O  O33  1  0.547  0.721  0.139  1.0
  O  O34  1  0.047  0.140  0.221  1.0
  O  O35  1  0.047  0.640  0.721  1.0
  O  O36  1  0.190  0.833  0.534  1.0
  O  O37  1  0.188  0.330  0.034  1.0
  O  O38  1  0.688  0.034  0.830  1.0
  O  O39  1  0.688  0.534  0.330  1.0
  O  O40  1  0.810  0.167  0.466  1.0
  O  O41  1  0.812  0.670  0.966  1.0
  O  O42  1  0.312  0.966  0.170  1.0
  O  O43  1  0.312  0.466  0.670  1.0
  O  O44  1  0.671  0.907  0.540  1.0
  O  O45  1  0.664  0.405  0.041  1.0
  O  O46  1  0.164  0.041  0.904  1.0
  O  O47  1  0.164  0.541  0.405  1.0
  O  O48  1  0.329  0.093  0.460  1.0
  O  O49  1  0.336  0.595  0.959  1.0
  O  O50  1  0.836  0.959  0.096  1.0
  O  O51  1  0.836  0.459  0.595  1.0
[/CIF]
.