The crystal structure described by MnNi5(BO5)2 crystallizes in the orthorhombic Pmc2_1 space group. Mn(1) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-61°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(10), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. In the third Ni site, Ni(3) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. In the fourth Ni site, Ni(4) is bonded to one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the fifth Ni site, Ni(5) is bonded to one O(5), one O(9), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-63°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ni(5), two equivalent Ni(1), and one B(1) atom. In the second O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Ni(1), and one B(2) atom. In the third O site, O(1) is bonded to one Ni(3), two equivalent Ni(4), and two equivalent Ni(5) atoms to form ONi5 square pyramids that share corners with two equivalent O(2)Mn2Ni3 square pyramids,  a cornercorner with one O(4)Mn2Ni2 tetrahedra, corners with two equivalent O(3)Ni4 tetrahedra,  an edgeedge with one O(2)Mn2Ni3 square pyramid, edges with two equivalent O(1)Ni5 square pyramids, and  an edgeedge with one O(3)Ni4 tetrahedra. In the fourth O site, O(2) is bonded to two equivalent Mn(1), one Ni(2), and two equivalent Ni(4) atoms to form OMn2Ni3 square pyramids that share corners with two equivalent O(1)Ni5 square pyramids,  a cornercorner with one O(3)Ni4 tetrahedra, corners with two equivalent O(4)Mn2Ni2 tetrahedra,  an edgeedge with one O(1)Ni5 square pyramid, edges with two equivalent O(2)Mn2Ni3 square pyramids, and  an edgeedge with one O(4)Mn2Ni2 tetrahedra. In the fifth O site, O(3) is bonded to one Ni(1), one Ni(2), and two equivalent Ni(5) atoms to form ONi4 tetrahedra that share  a cornercorner with one O(2)Mn2Ni3 square pyramid, corners with two equivalent O(1)Ni5 square pyramids,  a cornercorner with one O(4)Mn2Ni2 tetrahedra, corners with two equivalent O(3)Ni4 tetrahedra, and  an edgeedge with one O(1)Ni5 square pyramid. In the sixth O site, O(4) is bonded to two equivalent Mn(1), one Ni(1), and one Ni(3) atom to form distorted OMn2Ni2 tetrahedra that share  a cornercorner with one O(1)Ni5 square pyramid, corners with two equivalent O(2)Mn2Ni3 square pyramids,  a cornercorner with one O(3)Ni4 tetrahedra, corners with two equivalent O(4)Mn2Ni2 tetrahedra, and  an edgeedge with one O(2)Mn2Ni3 square pyramid. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Ni(5), two equivalent Ni(3), and one B(1) atom. In the eighth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Ni(2), and one B(2) atom. In the ninth O site, O(7) is bonded in a 4-coordinate geometry to one Ni(4), two equivalent Ni(2), and one B(1) atom. In the tenth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ni(4), two equivalent Ni(3), and one B(2) atom. is represented by the CIF card [CIF]
data_MnNi5(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.009
_cell_length_b   9.226
_cell_length_c   12.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.569
_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  0.000  0.009  0.613  1.0
  Mn  Mn1  1  0.000  0.991  0.113  1.0
  Ni  Ni2  1  0.500  0.255  0.499  1.0
  Ni  Ni3  1  0.500  0.745  0.999  1.0
  Ni  Ni4  1  0.500  0.255  0.220  1.0
  Ni  Ni5  1  0.500  0.254  0.782  1.0
  Ni  Ni6  1  0.500  0.746  0.282  1.0
  Ni  Ni7  1  0.500  0.745  0.720  1.0
  Ni  Ni8  1  0.000  0.745  0.499  1.0
  Ni  Ni9  1  0.000  0.255  0.999  1.0
  Ni  Ni10  1  0.000  0.490  0.386  1.0
  Ni  Ni11  1  0.000  0.510  0.886  1.0
  B  B12  1  0.000  0.526  0.140  1.0
  B  B13  1  0.000  0.976  0.860  1.0
  B  B14  1  0.000  0.024  0.360  1.0
  B  B15  1  0.000  0.474  0.640  1.0
  O  O16  1  0.500  0.636  0.423  1.0
  O  O17  1  0.500  0.869  0.579  1.0
  O  O18  1  0.500  0.131  0.079  1.0
  O  O19  1  0.500  0.364  0.923  1.0
  O  O20  1  0.500  0.358  0.357  1.0
  O  O21  1  0.500  0.139  0.643  1.0
  O  O22  1  0.500  0.861  0.143  1.0
  O  O23  1  0.500  0.642  0.857  1.0
  O  O24  1  0.000  0.601  0.236  1.0
  O  O25  1  0.000  0.899  0.764  1.0
  O  O26  1  0.000  0.101  0.264  1.0
  O  O27  1  0.000  0.399  0.736  1.0
  O  O28  1  0.000  0.374  0.141  1.0
  O  O29  1  0.000  0.125  0.859  1.0
  O  O30  1  0.000  0.875  0.359  1.0
  O  O31  1  0.000  0.626  0.641  1.0
  O  O32  1  0.000  0.399  0.543  1.0
  O  O33  1  0.000  0.101  0.457  1.0
  O  O34  1  0.000  0.899  0.957  1.0
  O  O35  1  0.000  0.601  0.043  1.0
[/CIF]
.
The crystal structure described by MnNi5(BO5)2 crystallizes in the orthorhombic Pmc2_1 space group. Mn(1) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-61°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(10), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. In the third Ni site, Ni(3) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. In the fourth Ni site, Ni(4) is bonded to one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the fifth Ni site, Ni(5) is bonded to one O(5), one O(9), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-63°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ni(5), two equivalent Ni(1), and one B(1) atom. In the second O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Ni(1), and one B(2) atom. In the third O site, O(1) is bonded to one Ni(3), two equivalent Ni(4), and two equivalent Ni(5) atoms to form ONi5 square pyramids that share corners with two equivalent O(2)Mn2Ni3 square pyramids,  a cornercorner with one O(4)Mn2Ni2 tetrahedra, corners with two equivalent O(3)Ni4 tetrahedra,  an edgeedge with one O(2)Mn2Ni3 square pyramid, edges with two equivalent O(1)Ni5 square pyramids, and  an edgeedge with one O(3)Ni4 tetrahedra. In the fourth O site, O(2) is bonded to two equivalent Mn(1), one Ni(2), and two equivalent Ni(4) atoms to form OMn2Ni3 square pyramids that share corners with two equivalent O(1)Ni5 square pyramids,  a cornercorner with one O(3)Ni4 tetrahedra, corners with two equivalent O(4)Mn2Ni2 tetrahedra,  an edgeedge with one O(1)Ni5 square pyramid, edges with two equivalent O(2)Mn2Ni3 square pyramids, and  an edgeedge with one O(4)Mn2Ni2 tetrahedra. In the fifth O site, O(3) is bonded to one Ni(1), one Ni(2), and two equivalent Ni(5) atoms to form ONi4 tetrahedra that share  a cornercorner with one O(2)Mn2Ni3 square pyramid, corners with two equivalent O(1)Ni5 square pyramids,  a cornercorner with one O(4)Mn2Ni2 tetrahedra, corners with two equivalent O(3)Ni4 tetrahedra, and  an edgeedge with one O(1)Ni5 square pyramid. In the sixth O site, O(4) is bonded to two equivalent Mn(1), one Ni(1), and one Ni(3) atom to form distorted OMn2Ni2 tetrahedra that share  a cornercorner with one O(1)Ni5 square pyramid, corners with two equivalent O(2)Mn2Ni3 square pyramids,  a cornercorner with one O(3)Ni4 tetrahedra, corners with two equivalent O(4)Mn2Ni2 tetrahedra, and  an edgeedge with one O(2)Mn2Ni3 square pyramid. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Ni(5), two equivalent Ni(3), and one B(1) atom. In the eighth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Ni(2), and one B(2) atom. In the ninth O site, O(7) is bonded in a 4-coordinate geometry to one Ni(4), two equivalent Ni(2), and one B(1) atom. In the tenth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ni(4), two equivalent Ni(3), and one B(2) atom. is represented by the CIF card [CIF]
data_MnNi5(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.009
_cell_length_b   9.226
_cell_length_c   12.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.569
_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  0.000  0.009  0.613  1.0
  Mn  Mn1  1  0.000  0.991  0.113  1.0
  Ni  Ni2  1  0.500  0.255  0.499  1.0
  Ni  Ni3  1  0.500  0.745  0.999  1.0
  Ni  Ni4  1  0.500  0.255  0.220  1.0
  Ni  Ni5  1  0.500  0.254  0.782  1.0
  Ni  Ni6  1  0.500  0.746  0.282  1.0
  Ni  Ni7  1  0.500  0.745  0.720  1.0
  Ni  Ni8  1  0.000  0.745  0.499  1.0
  Ni  Ni9  1  0.000  0.255  0.999  1.0
  Ni  Ni10  1  0.000  0.490  0.386  1.0
  Ni  Ni11  1  0.000  0.510  0.886  1.0
  B  B12  1  0.000  0.526  0.140  1.0
  B  B13  1  0.000  0.976  0.860  1.0
  B  B14  1  0.000  0.024  0.360  1.0
  B  B15  1  0.000  0.474  0.640  1.0
  O  O16  1  0.500  0.636  0.423  1.0
  O  O17  1  0.500  0.869  0.579  1.0
  O  O18  1  0.500  0.131  0.079  1.0
  O  O19  1  0.500  0.364  0.923  1.0
  O  O20  1  0.500  0.358  0.357  1.0
  O  O21  1  0.500  0.139  0.643  1.0
  O  O22  1  0.500  0.861  0.143  1.0
  O  O23  1  0.500  0.642  0.857  1.0
  O  O24  1  0.000  0.601  0.236  1.0
  O  O25  1  0.000  0.899  0.764  1.0
  O  O26  1  0.000  0.101  0.264  1.0
  O  O27  1  0.000  0.399  0.736  1.0
  O  O28  1  0.000  0.374  0.141  1.0
  O  O29  1  0.000  0.125  0.859  1.0
  O  O30  1  0.000  0.875  0.359  1.0
  O  O31  1  0.000  0.626  0.641  1.0
  O  O32  1  0.000  0.399  0.543  1.0
  O  O33  1  0.000  0.101  0.457  1.0
  O  O34  1  0.000  0.899  0.957  1.0
  O  O35  1  0.000  0.601  0.043  1.0
[/CIF]
.