The structure described by YCu3Mn4O12 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(5) atoms to form YO12 cuboctahedra that share faces with eight equivalent Mn(1)O6 octahedra. In the second Y site, Y(2) is bonded to four equivalent O(1), four equivalent O(4), and four equivalent O(6) atoms to form YO12 cuboctahedra that share faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and  a faceface with one Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-43°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to four equivalent O(5) atoms. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to four equivalent O(4) atoms. In the sixth Cu site, Cu(6) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Y(2), two equivalent Mn(1), and one Cu(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), two equivalent Mn(1), and one Cu(3) atom. In the third O site, O(3) is bonded to one Y(1), two equivalent Mn(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OYMn2Cu tetrahedra. In the fourth O site, O(4) is bonded to one Y(2), two equivalent Mn(1), and one Cu(5) atom to form a mixture of distorted corner and edge-sharing OYMn2Cu tetrahedra. In the fifth O site, O(5) is bonded to one Y(1), two equivalent Mn(1), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OYMn2Cu tetrahedra. In the sixth O site, O(6) is bonded to one Y(2), two equivalent Mn(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OYMn2Cu tetrahedra. is represented by the CIF card [CIF]
data_YMn4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.424
_cell_length_c   6.425
_cell_angle_alpha   69.371
_cell_angle_beta   70.865
_cell_angle_gamma   108.644
_symmetry_Int_Tables_number   1
_cell_volume   204.032
_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
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.500  1.000  1.0
  Cu  Cu2  1  0.500  1.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.307  0.828  0.865  1.0
  O  O8  1  0.693  0.172  0.135  1.0
  O  O9  1  0.693  0.828  0.479  1.0
  O  O10  1  0.468  0.298  0.830  1.0
  O  O11  1  0.167  0.470  0.697  1.0
  O  O12  1  0.833  0.136  0.697  1.0
  O  O13  1  0.872  0.702  0.830  1.0
  O  O14  1  0.833  0.530  0.303  1.0
  O  O15  1  0.307  0.172  0.521  1.0
  O  O16  1  0.532  0.702  0.170  1.0
  O  O17  1  0.167  0.864  0.303  1.0
  O  O18  1  0.128  0.298  0.170  1.0
  Y  Y19  1  0.000  0.000  1.000  1.0
[/CIF]
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The structure described by YCu3Mn4O12 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(5) atoms to form YO12 cuboctahedra that share faces with eight equivalent Mn(1)O6 octahedra. In the second Y site, Y(2) is bonded to four equivalent O(1), four equivalent O(4), and four equivalent O(6) atoms to form YO12 cuboctahedra that share faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and  a faceface with one Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-43°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to four equivalent O(5) atoms. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to four equivalent O(4) atoms. In the sixth Cu site, Cu(6) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Y(2), two equivalent Mn(1), and one Cu(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), two equivalent Mn(1), and one Cu(3) atom. In the third O site, O(3) is bonded to one Y(1), two equivalent Mn(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OYMn2Cu tetrahedra. In the fourth O site, O(4) is bonded to one Y(2), two equivalent Mn(1), and one Cu(5) atom to form a mixture of distorted corner and edge-sharing OYMn2Cu tetrahedra. In the fifth O site, O(5) is bonded to one Y(1), two equivalent Mn(1), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OYMn2Cu tetrahedra. In the sixth O site, O(6) is bonded to one Y(2), two equivalent Mn(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OYMn2Cu tetrahedra. is represented by the CIF card [CIF]
data_YMn4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.424
_cell_length_c   6.425
_cell_angle_alpha   69.371
_cell_angle_beta   70.865
_cell_angle_gamma   108.644
_symmetry_Int_Tables_number   1
_cell_volume   204.032
_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
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Cu  Cu1  1  0.500  0.500  1.000  1.0
  Cu  Cu2  1  0.500  1.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.307  0.828  0.865  1.0
  O  O8  1  0.693  0.172  0.135  1.0
  O  O9  1  0.693  0.828  0.479  1.0
  O  O10  1  0.468  0.298  0.830  1.0
  O  O11  1  0.167  0.470  0.697  1.0
  O  O12  1  0.833  0.136  0.697  1.0
  O  O13  1  0.872  0.702  0.830  1.0
  O  O14  1  0.833  0.530  0.303  1.0
  O  O15  1  0.307  0.172  0.521  1.0
  O  O16  1  0.532  0.702  0.170  1.0
  O  O17  1  0.167  0.864  0.303  1.0
  O  O18  1  0.128  0.298  0.170  1.0
  Y  Y19  1  0.000  0.000  1.000  1.0
[/CIF]
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