The crystal structure described by Zr4MnO9 crystallizes in the triclinic P1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(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 Zr site, Zr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Zr site, Zr(4) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. Mn(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1), one Zr(2), one Zr(4), and one Mn(1) atom to form distorted OZr3Mn tetrahedra that share  a cornercorner with one O(3)Zr3Mn tetrahedra,  a cornercorner with one O(5)Zr3Mn tetrahedra,  a cornercorner with one O(8)Zr3Mn tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra, corners with three equivalent O(6)Zr3Mn tetrahedra, corners with three equivalent O(9)Zr3Mn tetrahedra, corners with three equivalent O(7)Zr4 trigonal pyramids,  an edgeedge with one O(3)Zr3Mn tetrahedra,  an edgeedge with one O(5)Zr3Mn tetrahedra,  an edgeedge with one O(8)Zr3Mn tetrahedra, and  an edgeedge with one O(2)Zr4 tetrahedra. In the second O site, O(2) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom to form OZr4 tetrahedra that share  a cornercorner with one O(1)Zr3Mn tetrahedra,  a cornercorner with one O(6)Zr3Mn tetrahedra,  a cornercorner with one O(9)Zr3Mn tetrahedra, corners with three equivalent O(3)Zr3Mn tetrahedra, corners with three equivalent O(5)Zr3Mn tetrahedra, corners with three equivalent O(8)Zr3Mn tetrahedra,  an edgeedge with one O(1)Zr3Mn tetrahedra,  an edgeedge with one O(6)Zr3Mn tetrahedra,  an edgeedge with one O(9)Zr3Mn tetrahedra, and edges with two equivalent O(7)Zr4 trigonal pyramids. In the third O site, O(3) is bonded to one Zr(1), one Zr(3), one Zr(4), and one Mn(1) atom to form OZr3Mn tetrahedra that share  a cornercorner with one O(1)Zr3Mn tetrahedra,  a cornercorner with one O(9)Zr3Mn tetrahedra, corners with three equivalent O(5)Zr3Mn tetrahedra, corners with three equivalent O(8)Zr3Mn tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr3Mn tetrahedra,  an edgeedge with one O(9)Zr3Mn tetrahedra, edges with two equivalent O(6)Zr3Mn tetrahedra, and  an edgeedge with one O(7)Zr4 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Mn(1) atom to form distorted OZr3Mn tetrahedra that share  a cornercorner with one O(1)Zr3Mn tetrahedra,  a cornercorner with one O(6)Zr3Mn tetrahedra,  a cornercorner with one O(9)Zr3Mn tetrahedra, corners with three equivalent O(3)Zr3Mn tetrahedra, corners with three equivalent O(8)Zr3Mn tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr3Mn tetrahedra,  an edgeedge with one O(6)Zr3Mn tetrahedra,  an edgeedge with one O(9)Zr3Mn tetrahedra, and  an edgeedge with one O(7)Zr4 trigonal pyramid. In the sixth O site, O(6) is bonded to one Zr(1), one Zr(3), one Zr(4), and one Mn(1) atom to form OZr3Mn tetrahedra that share  a cornercorner with one O(5)Zr3Mn tetrahedra,  a cornercorner with one O(8)Zr3Mn tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra, corners with three equivalent O(1)Zr3Mn tetrahedra, corners with three equivalent O(9)Zr3Mn tetrahedra, corners with three equivalent O(7)Zr4 trigonal pyramids,  an edgeedge with one O(5)Zr3Mn tetrahedra,  an edgeedge with one O(8)Zr3Mn tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with two equivalent O(3)Zr3Mn tetrahedra. In the seventh O site, O(7) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(3)Zr3Mn tetrahedra,  a cornercorner with one O(5)Zr3Mn tetrahedra,  a cornercorner with one O(8)Zr3Mn tetrahedra, corners with three equivalent O(1)Zr3Mn tetrahedra, corners with three equivalent O(6)Zr3Mn tetrahedra, corners with three equivalent O(9)Zr3Mn tetrahedra,  an edgeedge with one O(3)Zr3Mn tetrahedra,  an edgeedge with one O(5)Zr3Mn tetrahedra,  an edgeedge with one O(8)Zr3Mn tetrahedra, and edges with two equivalent O(2)Zr4 tetrahedra. In the eighth O site, O(8) is bonded to one Zr(2), one Zr(3), one Zr(4), and one Mn(1) atom to form OZr3Mn tetrahedra that share  a cornercorner with one O(1)Zr3Mn tetrahedra,  a cornercorner with one O(6)Zr3Mn tetrahedra, corners with three equivalent O(3)Zr3Mn tetrahedra, corners with three equivalent O(5)Zr3Mn tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr3Mn tetrahedra,  an edgeedge with one O(6)Zr3Mn tetrahedra, edges with two equivalent O(9)Zr3Mn tetrahedra, and  an edgeedge with one O(7)Zr4 trigonal pyramid. In the ninth O site, O(9) is bonded to one Zr(2), one Zr(3), one Zr(4), and one Mn(1) atom to form OZr3Mn tetrahedra that share  a cornercorner with one O(3)Zr3Mn tetrahedra,  a cornercorner with one O(5)Zr3Mn tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra, corners with three equivalent O(1)Zr3Mn tetrahedra, corners with three equivalent O(6)Zr3Mn tetrahedra, corners with three equivalent O(7)Zr4 trigonal pyramids,  an edgeedge with one O(3)Zr3Mn tetrahedra,  an edgeedge with one O(5)Zr3Mn tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with two equivalent O(8)Zr3Mn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4MnO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   6.139
_cell_length_c   6.305
_cell_angle_alpha   80.956
_cell_angle_beta   66.892
_cell_angle_gamma   68.134
_symmetry_Int_Tables_number   1
_cell_volume   172.435
_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  0.195  0.362  0.211  1.0
  O  O1  1  0.807  0.722  0.087  1.0
  O  O2  1  0.930  0.949  0.685  1.0
  O  O3  1  0.772  0.470  0.489  1.0
  O  O4  1  0.181  0.993  0.216  1.0
  O  O5  1  0.581  0.097  0.339  1.0
  O  O6  1  0.244  0.532  0.489  1.0
  O  O7  1  0.429  0.858  0.744  1.0
  O  O8  1  0.138  0.307  0.877  1.0
  O  O9  1  0.607  0.347  0.938  1.0
  Zr  Zr10  1  0.427  0.799  0.413  1.0
  Zr  Zr11  1  0.945  0.031  0.007  1.0
  Zr  Zr12  1  0.560  0.223  0.635  1.0
  Zr  Zr13  1  0.834  0.609  0.770  1.0
[/CIF]
.
The crystal structure described by Zr4MnO9 crystallizes in the triclinic P1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(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 Zr site, Zr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Zr site, Zr(4) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. Mn(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1), one Zr(2), one Zr(4), and one Mn(1) atom to form distorted OZr3Mn tetrahedra that share  a cornercorner with one O(3)Zr3Mn tetrahedra,  a cornercorner with one O(5)Zr3Mn tetrahedra,  a cornercorner with one O(8)Zr3Mn tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra, corners with three equivalent O(6)Zr3Mn tetrahedra, corners with three equivalent O(9)Zr3Mn tetrahedra, corners with three equivalent O(7)Zr4 trigonal pyramids,  an edgeedge with one O(3)Zr3Mn tetrahedra,  an edgeedge with one O(5)Zr3Mn tetrahedra,  an edgeedge with one O(8)Zr3Mn tetrahedra, and  an edgeedge with one O(2)Zr4 tetrahedra. In the second O site, O(2) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom to form OZr4 tetrahedra that share  a cornercorner with one O(1)Zr3Mn tetrahedra,  a cornercorner with one O(6)Zr3Mn tetrahedra,  a cornercorner with one O(9)Zr3Mn tetrahedra, corners with three equivalent O(3)Zr3Mn tetrahedra, corners with three equivalent O(5)Zr3Mn tetrahedra, corners with three equivalent O(8)Zr3Mn tetrahedra,  an edgeedge with one O(1)Zr3Mn tetrahedra,  an edgeedge with one O(6)Zr3Mn tetrahedra,  an edgeedge with one O(9)Zr3Mn tetrahedra, and edges with two equivalent O(7)Zr4 trigonal pyramids. In the third O site, O(3) is bonded to one Zr(1), one Zr(3), one Zr(4), and one Mn(1) atom to form OZr3Mn tetrahedra that share  a cornercorner with one O(1)Zr3Mn tetrahedra,  a cornercorner with one O(9)Zr3Mn tetrahedra, corners with three equivalent O(5)Zr3Mn tetrahedra, corners with three equivalent O(8)Zr3Mn tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr3Mn tetrahedra,  an edgeedge with one O(9)Zr3Mn tetrahedra, edges with two equivalent O(6)Zr3Mn tetrahedra, and  an edgeedge with one O(7)Zr4 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Mn(1) atom to form distorted OZr3Mn tetrahedra that share  a cornercorner with one O(1)Zr3Mn tetrahedra,  a cornercorner with one O(6)Zr3Mn tetrahedra,  a cornercorner with one O(9)Zr3Mn tetrahedra, corners with three equivalent O(3)Zr3Mn tetrahedra, corners with three equivalent O(8)Zr3Mn tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr3Mn tetrahedra,  an edgeedge with one O(6)Zr3Mn tetrahedra,  an edgeedge with one O(9)Zr3Mn tetrahedra, and  an edgeedge with one O(7)Zr4 trigonal pyramid. In the sixth O site, O(6) is bonded to one Zr(1), one Zr(3), one Zr(4), and one Mn(1) atom to form OZr3Mn tetrahedra that share  a cornercorner with one O(5)Zr3Mn tetrahedra,  a cornercorner with one O(8)Zr3Mn tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra, corners with three equivalent O(1)Zr3Mn tetrahedra, corners with three equivalent O(9)Zr3Mn tetrahedra, corners with three equivalent O(7)Zr4 trigonal pyramids,  an edgeedge with one O(5)Zr3Mn tetrahedra,  an edgeedge with one O(8)Zr3Mn tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with two equivalent O(3)Zr3Mn tetrahedra. In the seventh O site, O(7) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom to form distorted OZr4 trigonal pyramids that share  a cornercorner with one O(3)Zr3Mn tetrahedra,  a cornercorner with one O(5)Zr3Mn tetrahedra,  a cornercorner with one O(8)Zr3Mn tetrahedra, corners with three equivalent O(1)Zr3Mn tetrahedra, corners with three equivalent O(6)Zr3Mn tetrahedra, corners with three equivalent O(9)Zr3Mn tetrahedra,  an edgeedge with one O(3)Zr3Mn tetrahedra,  an edgeedge with one O(5)Zr3Mn tetrahedra,  an edgeedge with one O(8)Zr3Mn tetrahedra, and edges with two equivalent O(2)Zr4 tetrahedra. In the eighth O site, O(8) is bonded to one Zr(2), one Zr(3), one Zr(4), and one Mn(1) atom to form OZr3Mn tetrahedra that share  a cornercorner with one O(1)Zr3Mn tetrahedra,  a cornercorner with one O(6)Zr3Mn tetrahedra, corners with three equivalent O(3)Zr3Mn tetrahedra, corners with three equivalent O(5)Zr3Mn tetrahedra, corners with three equivalent O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr3Mn tetrahedra,  an edgeedge with one O(6)Zr3Mn tetrahedra, edges with two equivalent O(9)Zr3Mn tetrahedra, and  an edgeedge with one O(7)Zr4 trigonal pyramid. In the ninth O site, O(9) is bonded to one Zr(2), one Zr(3), one Zr(4), and one Mn(1) atom to form OZr3Mn tetrahedra that share  a cornercorner with one O(3)Zr3Mn tetrahedra,  a cornercorner with one O(5)Zr3Mn tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra, corners with three equivalent O(1)Zr3Mn tetrahedra, corners with three equivalent O(6)Zr3Mn tetrahedra, corners with three equivalent O(7)Zr4 trigonal pyramids,  an edgeedge with one O(3)Zr3Mn tetrahedra,  an edgeedge with one O(5)Zr3Mn tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with two equivalent O(8)Zr3Mn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4MnO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   6.139
_cell_length_c   6.305
_cell_angle_alpha   80.956
_cell_angle_beta   66.892
_cell_angle_gamma   68.134
_symmetry_Int_Tables_number   1
_cell_volume   172.435
_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  0.195  0.362  0.211  1.0
  O  O1  1  0.807  0.722  0.087  1.0
  O  O2  1  0.930  0.949  0.685  1.0
  O  O3  1  0.772  0.470  0.489  1.0
  O  O4  1  0.181  0.993  0.216  1.0
  O  O5  1  0.581  0.097  0.339  1.0
  O  O6  1  0.244  0.532  0.489  1.0
  O  O7  1  0.429  0.858  0.744  1.0
  O  O8  1  0.138  0.307  0.877  1.0
  O  O9  1  0.607  0.347  0.938  1.0
  Zr  Zr10  1  0.427  0.799  0.413  1.0
  Zr  Zr11  1  0.945  0.031  0.007  1.0
  Zr  Zr12  1  0.560  0.223  0.635  1.0
  Zr  Zr13  1  0.834  0.609  0.770  1.0
[/CIF]
.