The material structure described by Ca(MnAl3)3 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 20-coordinate geometry to two equivalent Mn(1), four equivalent Mn(2), two equivalent Al(3), four equivalent Al(2), and eight equivalent Al(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Ca(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted MnCa2Al10 cuboctahedra that share corners with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra, corners with four equivalent Mn(1)Ca2Al10 cuboctahedra, corners with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, edges with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, faces with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra, and faces with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Ca(1), two equivalent Mn(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted MnCa2Mn2Al8 cuboctahedra that share corners with two equivalent Mn(1)Ca2Al10 cuboctahedra, corners with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra, corners with six equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, edges with two equivalent Mn(1)Ca2Al10 cuboctahedra, edges with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra, faces with two equivalent Mn(1)Ca2Al10 cuboctahedra, faces with two equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, and faces with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Ca(1), one Mn(1), two equivalent Mn(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Ca(1), one Mn(1), two equivalent Mn(2), one Al(2), one Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded to two equivalent Ca(1), two equivalent Mn(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlCa2Mn2Al8 cuboctahedra that share corners with two equivalent Mn(1)Ca2Al10 cuboctahedra, corners with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, corners with four equivalent Al(3)Ca2Mn2Al8 cuboctahedra, edges with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, faces with two equivalent Mn(1)Ca2Al10 cuboctahedra, and faces with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra. is represented by the CIF card [CIF]
data_Ca(MnAl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.872
_cell_length_b   6.872
_cell_length_c   6.737
_cell_angle_alpha   82.014
_cell_angle_beta   82.014
_cell_angle_gamma   135.814
_symmetry_Int_Tables_number   1
_cell_volume   206.035
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.285  0.518  0.221  1.0
  Al  Al5  1  0.715  0.482  0.779  1.0
  Al  Al6  1  0.482  0.715  0.779  1.0
  Al  Al7  1  0.518  0.285  0.221  1.0
  Al  Al8  1  0.349  1.000  0.665  1.0
  Al  Al9  1  0.651  0.000  0.335  1.0
  Al  Al10  1  0.000  0.651  0.335  1.0
  Al  Al11  1  1.000  0.349  0.665  1.0
  Al  Al12  1  0.000  0.000  0.500  1.0
[/CIF]
.
The material structure described by Ca(MnAl3)3 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 20-coordinate geometry to two equivalent Mn(1), four equivalent Mn(2), two equivalent Al(3), four equivalent Al(2), and eight equivalent Al(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Ca(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted MnCa2Al10 cuboctahedra that share corners with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra, corners with four equivalent Mn(1)Ca2Al10 cuboctahedra, corners with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, edges with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, faces with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra, and faces with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Ca(1), two equivalent Mn(2), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted MnCa2Mn2Al8 cuboctahedra that share corners with two equivalent Mn(1)Ca2Al10 cuboctahedra, corners with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra, corners with six equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, edges with two equivalent Mn(1)Ca2Al10 cuboctahedra, edges with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra, faces with two equivalent Mn(1)Ca2Al10 cuboctahedra, faces with two equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, and faces with two equivalent Al(3)Ca2Mn2Al8 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Ca(1), one Mn(1), two equivalent Mn(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Ca(1), one Mn(1), two equivalent Mn(2), one Al(2), one Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded to two equivalent Ca(1), two equivalent Mn(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted AlCa2Mn2Al8 cuboctahedra that share corners with two equivalent Mn(1)Ca2Al10 cuboctahedra, corners with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, corners with four equivalent Al(3)Ca2Mn2Al8 cuboctahedra, edges with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra, faces with two equivalent Mn(1)Ca2Al10 cuboctahedra, and faces with four equivalent Mn(2)Ca2Mn2Al8 cuboctahedra. is represented by the CIF card [CIF]
data_Ca(MnAl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.872
_cell_length_b   6.872
_cell_length_c   6.737
_cell_angle_alpha   82.014
_cell_angle_beta   82.014
_cell_angle_gamma   135.814
_symmetry_Int_Tables_number   1
_cell_volume   206.035
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  Al  Al4  1  0.285  0.518  0.221  1.0
  Al  Al5  1  0.715  0.482  0.779  1.0
  Al  Al6  1  0.482  0.715  0.779  1.0
  Al  Al7  1  0.518  0.285  0.221  1.0
  Al  Al8  1  0.349  1.000  0.665  1.0
  Al  Al9  1  0.651  0.000  0.335  1.0
  Al  Al10  1  0.000  0.651  0.335  1.0
  Al  Al11  1  1.000  0.349  0.665  1.0
  Al  Al12  1  0.000  0.000  0.500  1.0
[/CIF]
.