The structure described by Li4Y3MnO8 crystallizes in the orthorhombic C222 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Y site, Y(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Y(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(3), one Y(1), and two equivalent Y(2) atoms to form OLi2Y3 square pyramids that share  a cornercorner with one O(1)Li2Y3 square pyramid, corners with four equivalent O(2)Li2Y2Mn square pyramids, corners with four equivalent O(3)Li2Y2Mn square pyramids, edges with two equivalent O(2)Li2Y2Mn square pyramids, edges with two equivalent O(3)Li2Y2Mn square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(3), two equivalent Y(2), and one Mn(1) atom to form OLi2Y2Mn square pyramids that share  a cornercorner with one O(2)Li2Y2Mn square pyramid, corners with four equivalent O(3)Li2Y2Mn square pyramids, corners with four equivalent O(1)Li2Y3 square pyramids, edges with two equivalent O(2)Li2Y2Mn square pyramids, edges with two equivalent O(3)Li2Y2Mn square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Y(1), one Y(2), and one Mn(1) atom to form OLi2Y2Mn square pyramids that share corners with two equivalent O(2)Li2Y2Mn square pyramids, corners with two equivalent O(1)Li2Y3 square pyramids, corners with five equivalent O(3)Li2Y2Mn square pyramids,  an edgeedge with one O(2)Li2Y2Mn square pyramid,  an edgeedge with one O(1)Li2Y3 square pyramid, and edges with four equivalent O(3)Li2Y2Mn square pyramids. is represented by the CIF card [CIF]
data_Li4Y3MnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   6.117
_cell_angle_alpha   89.999
_cell_angle_beta   89.998
_cell_angle_gamma   60.638
_symmetry_Int_Tables_number   1
_cell_volume   195.621
_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  0.000  1.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.000  0.500  0.245  1.0
  Li  Li3  1  0.500  1.000  0.755  1.0
  Mn  Mn4  1  1.000  1.000  1.000  1.0
  O  O5  1  0.286  0.286  0.500  1.0
  O  O6  1  0.714  0.714  0.500  1.0
  O  O7  1  0.779  0.779  1.000  1.0
  O  O8  1  0.221  0.221  0.000  1.0
  O  O9  1  0.746  0.216  0.236  1.0
  O  O10  1  0.254  0.784  0.236  1.0
  O  O11  1  0.216  0.746  0.764  1.0
  O  O12  1  0.784  0.254  0.764  1.0
  Y  Y13  1  0.500  0.500  0.500  1.0
  Y  Y14  1  0.500  0.000  0.243  1.0
  Y  Y15  1  0.000  0.500  0.757  1.0
[/CIF]
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The structure described by Li4Y3MnO8 crystallizes in the orthorhombic C222 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Y site, Y(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Y(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(3), one Y(1), and two equivalent Y(2) atoms to form OLi2Y3 square pyramids that share  a cornercorner with one O(1)Li2Y3 square pyramid, corners with four equivalent O(2)Li2Y2Mn square pyramids, corners with four equivalent O(3)Li2Y2Mn square pyramids, edges with two equivalent O(2)Li2Y2Mn square pyramids, edges with two equivalent O(3)Li2Y2Mn square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(3), two equivalent Y(2), and one Mn(1) atom to form OLi2Y2Mn square pyramids that share  a cornercorner with one O(2)Li2Y2Mn square pyramid, corners with four equivalent O(3)Li2Y2Mn square pyramids, corners with four equivalent O(1)Li2Y3 square pyramids, edges with two equivalent O(2)Li2Y2Mn square pyramids, edges with two equivalent O(3)Li2Y2Mn square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Y(1), one Y(2), and one Mn(1) atom to form OLi2Y2Mn square pyramids that share corners with two equivalent O(2)Li2Y2Mn square pyramids, corners with two equivalent O(1)Li2Y3 square pyramids, corners with five equivalent O(3)Li2Y2Mn square pyramids,  an edgeedge with one O(2)Li2Y2Mn square pyramid,  an edgeedge with one O(1)Li2Y3 square pyramid, and edges with four equivalent O(3)Li2Y2Mn square pyramids. is represented by the CIF card [CIF]
data_Li4Y3MnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   6.117
_cell_angle_alpha   89.999
_cell_angle_beta   89.998
_cell_angle_gamma   60.638
_symmetry_Int_Tables_number   1
_cell_volume   195.621
_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  0.000  1.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.000  0.500  0.245  1.0
  Li  Li3  1  0.500  1.000  0.755  1.0
  Mn  Mn4  1  1.000  1.000  1.000  1.0
  O  O5  1  0.286  0.286  0.500  1.0
  O  O6  1  0.714  0.714  0.500  1.0
  O  O7  1  0.779  0.779  1.000  1.0
  O  O8  1  0.221  0.221  0.000  1.0
  O  O9  1  0.746  0.216  0.236  1.0
  O  O10  1  0.254  0.784  0.236  1.0
  O  O11  1  0.216  0.746  0.764  1.0
  O  O12  1  0.784  0.254  0.764  1.0
  Y  Y13  1  0.500  0.500  0.500  1.0
  Y  Y14  1  0.500  0.000  0.243  1.0
  Y  Y15  1  0.000  0.500  0.757  1.0
[/CIF]
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