The material structure described by Ca4Mn4O11 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(10), and two equivalent O(11) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(7), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(7), one O(8), and two equivalent O(6) atoms. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), and two equivalent O(9) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra and corners with four equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 22-29°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(11), one O(3), and one O(9) atom to form MnO5 square pyramids that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one Mn(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 16-34°. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form MnO5 square pyramids that share corners with four equivalent Mn(4)O6 octahedra and  a cornercorner with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 24-31°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 22-29°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Mn(1), and one Mn(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Mn(1), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ca(3), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(3), two equivalent Ca(2), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(3), two equivalent Ca(2), one Mn(3), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Ca(4), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded to one Ca(4), two equivalent Ca(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OCa3Mn2 square pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Ca4Mn4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   7.549
_cell_length_c   10.865
_cell_angle_alpha   89.860
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.423
_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
  Ca  Ca0  1  0.022  0.489  0.615  1.0
  Ca  Ca1  1  0.553  0.499  0.883  1.0
  Ca  Ca2  1  0.490  0.016  0.880  1.0
  Ca  Ca3  1  0.990  0.984  0.120  1.0
  Ca  Ca4  1  0.053  0.501  0.117  1.0
  Ca  Ca5  1  0.522  0.511  0.385  1.0
  Ca  Ca6  1  0.442  0.982  0.379  1.0
  Ca  Ca7  1  0.942  0.018  0.621  1.0
  Mn  Mn8  1  0.493  0.256  0.628  1.0
  Mn  Mn9  1  0.513  0.749  0.623  1.0
  Mn  Mn10  1  0.998  0.749  0.881  1.0
  Mn  Mn11  1  0.010  0.254  0.871  1.0
  Mn  Mn12  1  0.510  0.746  0.129  1.0
  Mn  Mn13  1  0.498  0.251  0.119  1.0
  Mn  Mn14  1  0.993  0.744  0.372  1.0
  Mn  Mn15  1  0.013  0.251  0.377  1.0
  O  O16  1  0.465  0.508  0.674  1.0
  O  O17  1  0.721  0.215  0.765  1.0
  O  O18  1  0.732  0.801  0.762  1.0
  O  O19  1  0.214  0.202  0.731  1.0
  O  O20  1  0.988  0.506  0.829  1.0
  O  O21  1  0.045  0.998  0.906  1.0
  O  O22  1  0.797  0.288  0.021  1.0
  O  O23  1  0.784  0.707  0.026  1.0
  O  O24  1  0.284  0.293  0.974  1.0
  O  O25  1  0.297  0.712  0.979  1.0
  O  O26  1  0.545  0.002  0.094  1.0
  O  O27  1  0.488  0.494  0.171  1.0
  O  O28  1  0.714  0.798  0.269  1.0
  O  O29  1  0.221  0.785  0.235  1.0
  O  O30  1  0.232  0.199  0.238  1.0
  O  O31  1  0.965  0.492  0.326  1.0
  O  O32  1  0.993  0.001  0.409  1.0
  O  O33  1  0.764  0.288  0.509  1.0
  O  O34  1  0.781  0.702  0.507  1.0
  O  O35  1  0.281  0.298  0.493  1.0
  O  O36  1  0.264  0.712  0.491  1.0
  O  O37  1  0.493  0.999  0.591  1.0
[/CIF]
.
The material structure described by Ca4Mn4O11 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(10), and two equivalent O(11) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(7), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(7), one O(8), and two equivalent O(6) atoms. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), and two equivalent O(9) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra and corners with four equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 22-29°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(11), one O(3), and one O(9) atom to form MnO5 square pyramids that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one Mn(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 16-34°. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form MnO5 square pyramids that share corners with four equivalent Mn(4)O6 octahedra and  a cornercorner with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 24-31°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 22-29°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Mn(1), and one Mn(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Mn(1), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ca(3), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(3), two equivalent Ca(2), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(3), two equivalent Ca(2), one Mn(3), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Ca(4), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded to one Ca(4), two equivalent Ca(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OCa3Mn2 square pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Ca4Mn4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   7.549
_cell_length_c   10.865
_cell_angle_alpha   89.860
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.423
_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
  Ca  Ca0  1  0.022  0.489  0.615  1.0
  Ca  Ca1  1  0.553  0.499  0.883  1.0
  Ca  Ca2  1  0.490  0.016  0.880  1.0
  Ca  Ca3  1  0.990  0.984  0.120  1.0
  Ca  Ca4  1  0.053  0.501  0.117  1.0
  Ca  Ca5  1  0.522  0.511  0.385  1.0
  Ca  Ca6  1  0.442  0.982  0.379  1.0
  Ca  Ca7  1  0.942  0.018  0.621  1.0
  Mn  Mn8  1  0.493  0.256  0.628  1.0
  Mn  Mn9  1  0.513  0.749  0.623  1.0
  Mn  Mn10  1  0.998  0.749  0.881  1.0
  Mn  Mn11  1  0.010  0.254  0.871  1.0
  Mn  Mn12  1  0.510  0.746  0.129  1.0
  Mn  Mn13  1  0.498  0.251  0.119  1.0
  Mn  Mn14  1  0.993  0.744  0.372  1.0
  Mn  Mn15  1  0.013  0.251  0.377  1.0
  O  O16  1  0.465  0.508  0.674  1.0
  O  O17  1  0.721  0.215  0.765  1.0
  O  O18  1  0.732  0.801  0.762  1.0
  O  O19  1  0.214  0.202  0.731  1.0
  O  O20  1  0.988  0.506  0.829  1.0
  O  O21  1  0.045  0.998  0.906  1.0
  O  O22  1  0.797  0.288  0.021  1.0
  O  O23  1  0.784  0.707  0.026  1.0
  O  O24  1  0.284  0.293  0.974  1.0
  O  O25  1  0.297  0.712  0.979  1.0
  O  O26  1  0.545  0.002  0.094  1.0
  O  O27  1  0.488  0.494  0.171  1.0
  O  O28  1  0.714  0.798  0.269  1.0
  O  O29  1  0.221  0.785  0.235  1.0
  O  O30  1  0.232  0.199  0.238  1.0
  O  O31  1  0.965  0.492  0.326  1.0
  O  O32  1  0.993  0.001  0.409  1.0
  O  O33  1  0.764  0.288  0.509  1.0
  O  O34  1  0.781  0.702  0.507  1.0
  O  O35  1  0.281  0.298  0.493  1.0
  O  O36  1  0.264  0.712  0.491  1.0
  O  O37  1  0.493  0.999  0.591  1.0
[/CIF]
.