The compound described by LiDy2Mn4O8 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, corners with two equivalent Dy(2)O4 tetrahedra,  an edgeedge with one Mn(4)O5 square pyramid, and  an edgeedge with one Dy(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-65°. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form DyO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O5 square pyramids, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-67°. In the second Dy site, Dy(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form DyO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O5 square pyramids, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-67°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O5 square pyramid, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Dy(1)O4 tetrahedra, corners with three equivalent Dy(2)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(8) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O5 square pyramid, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Dy(1)O4 tetrahedra, corners with three equivalent Dy(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Dy(1)O4 tetrahedra, corners with three equivalent Dy(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 72°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Dy(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted ODyMn3 trigonal pyramids that share corners with two equivalent O(2)DyMn3 tetrahedra, corners with two equivalent O(3)DyMn3 tetrahedra, and corners with two equivalent O(4)LiDyMn2 tetrahedra. In the second O site, O(2) is bonded to one Dy(1), one Mn(1), one Mn(2), and one Mn(4) atom to form ODyMn3 tetrahedra that share  a cornercorner with one O(3)DyMn3 tetrahedra, corners with two equivalent O(4)LiDyMn2 tetrahedra, corners with two equivalent O(1)DyMn3 trigonal pyramids, and  an edgeedge with one O(3)DyMn3 tetrahedra. In the third O site, O(3) is bonded to one Dy(1), one Mn(2), one Mn(3), and one Mn(4) atom to form ODyMn3 tetrahedra that share  a cornercorner with one O(2)DyMn3 tetrahedra, corners with two equivalent O(4)LiDyMn2 tetrahedra, corners with two equivalent O(1)DyMn3 trigonal pyramids, and  an edgeedge with one O(2)DyMn3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Dy(1), one Mn(1), and one Mn(3) atom to form distorted corner-sharing OLiDyMn2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Dy(2), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Dy(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Dy(1), one Mn(1), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Dy(2), one Mn(1), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiDy2Mn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.207
_cell_length_b   6.656
_cell_length_c   6.626
_cell_angle_alpha   58.390
_cell_angle_beta   62.844
_cell_angle_gamma   62.594
_symmetry_Int_Tables_number   1
_cell_volume   198.410
_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
  Li  Li0  1  0.895  0.356  0.344  1.0
  Dy  Dy1  1  0.181  0.088  0.087  1.0
  Dy  Dy2  1  0.865  0.889  0.882  1.0
  Mn  Mn3  1  0.495  0.019  0.491  1.0
  Mn  Mn4  1  0.969  0.541  0.541  1.0
  Mn  Mn5  1  0.493  0.497  0.017  1.0
  Mn  Mn6  1  0.461  0.530  0.527  1.0
  O  O7  1  0.725  0.756  0.753  1.0
  O  O8  1  0.285  0.279  0.687  1.0
  O  O9  1  0.279  0.690  0.279  1.0
  O  O10  1  0.780  0.224  0.220  1.0
  O  O11  1  0.725  0.299  0.706  1.0
  O  O12  1  0.265  0.751  0.746  1.0
  O  O13  1  0.255  0.250  0.244  1.0
  O  O14  1  0.721  0.712  0.293  1.0
[/CIF]
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The compound described by LiDy2Mn4O8 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, corners with two equivalent Dy(2)O4 tetrahedra,  an edgeedge with one Mn(4)O5 square pyramid, and  an edgeedge with one Dy(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-65°. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form DyO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O5 square pyramids, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-67°. In the second Dy site, Dy(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form DyO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O5 square pyramids, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-67°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O5 square pyramid, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Dy(1)O4 tetrahedra, corners with three equivalent Dy(2)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(8) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(4)O5 square pyramid, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Dy(1)O4 tetrahedra, corners with three equivalent Dy(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Dy(1)O4 tetrahedra, corners with three equivalent Dy(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 72°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Dy(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted ODyMn3 trigonal pyramids that share corners with two equivalent O(2)DyMn3 tetrahedra, corners with two equivalent O(3)DyMn3 tetrahedra, and corners with two equivalent O(4)LiDyMn2 tetrahedra. In the second O site, O(2) is bonded to one Dy(1), one Mn(1), one Mn(2), and one Mn(4) atom to form ODyMn3 tetrahedra that share  a cornercorner with one O(3)DyMn3 tetrahedra, corners with two equivalent O(4)LiDyMn2 tetrahedra, corners with two equivalent O(1)DyMn3 trigonal pyramids, and  an edgeedge with one O(3)DyMn3 tetrahedra. In the third O site, O(3) is bonded to one Dy(1), one Mn(2), one Mn(3), and one Mn(4) atom to form ODyMn3 tetrahedra that share  a cornercorner with one O(2)DyMn3 tetrahedra, corners with two equivalent O(4)LiDyMn2 tetrahedra, corners with two equivalent O(1)DyMn3 trigonal pyramids, and  an edgeedge with one O(2)DyMn3 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Dy(1), one Mn(1), and one Mn(3) atom to form distorted corner-sharing OLiDyMn2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Dy(2), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Dy(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Dy(1), one Mn(1), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Dy(2), one Mn(1), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiDy2Mn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.207
_cell_length_b   6.656
_cell_length_c   6.626
_cell_angle_alpha   58.390
_cell_angle_beta   62.844
_cell_angle_gamma   62.594
_symmetry_Int_Tables_number   1
_cell_volume   198.410
_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
  Li  Li0  1  0.895  0.356  0.344  1.0
  Dy  Dy1  1  0.181  0.088  0.087  1.0
  Dy  Dy2  1  0.865  0.889  0.882  1.0
  Mn  Mn3  1  0.495  0.019  0.491  1.0
  Mn  Mn4  1  0.969  0.541  0.541  1.0
  Mn  Mn5  1  0.493  0.497  0.017  1.0
  Mn  Mn6  1  0.461  0.530  0.527  1.0
  O  O7  1  0.725  0.756  0.753  1.0
  O  O8  1  0.285  0.279  0.687  1.0
  O  O9  1  0.279  0.690  0.279  1.0
  O  O10  1  0.780  0.224  0.220  1.0
  O  O11  1  0.725  0.299  0.706  1.0
  O  O12  1  0.265  0.751  0.746  1.0
  O  O13  1  0.255  0.250  0.244  1.0
  O  O14  1  0.721  0.712  0.293  1.0
[/CIF]
.