The compound described by ZrCrMn crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); two equivalent Cr(2); three equivalent Cr(1); one Mn(1); two equivalent Mn(3); and four equivalent Mn(2) atoms. In the third Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. In the fourth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. In the fifth Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); two equivalent Cr(2); three equivalent Cr(1); one Mn(1); two equivalent Mn(3); and four equivalent Mn(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three Zr(1,1); three Zr(2,2); two equivalent Cr(2); one Mn(1); one Mn(3); and two equivalent Mn(2) atoms to form CrZr6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Zr6Cr6 cuboctahedra, corners with two equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, corners with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, edges with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, faces with two equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, faces with three equivalent Mn(1)Zr6Cr6 cuboctahedra, faces with three equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, and faces with six equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent Zr(2); four Zr(1,1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Mn(1) atoms to form CrZr6Mn2Cr4 cuboctahedra that share corners with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, corners with four equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, corners with six equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, edges with two equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, edges with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, faces with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, faces with four equivalent Mn(1)Zr6Cr6 cuboctahedra, and faces with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Zr(2); four Zr(1,1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form MnZr6Cr6 cuboctahedra that share corners with two equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Zr6Cr6 cuboctahedra, corners with eight equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, edges with two equivalent Mn(1)Zr6Cr6 cuboctahedra, edges with four equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, and faces with eight equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra. In the second Mn site, Mn(2) is bonded to two Zr(1,1); four Zr(2,2); two equivalent Cr(1); two equivalent Mn(2); and two equivalent Mn(3) atoms to form distorted MnZr6Mn4Cr2 cuboctahedra that share corners with four equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Zr6Cr6 cuboctahedra, corners with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, corners with six equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, edges with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, faces with two equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, faces with two equivalent Mn(1)Zr6Cr6 cuboctahedra, faces with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, and faces with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra. In the third Mn site, Mn(3) is bonded to two Zr(1,1); four equivalent Zr(2); two equivalent Cr(1); and four equivalent Mn(2) atoms to form distorted MnZr6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Zr6Cr6 cuboctahedra, corners with four equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, corners with eight equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, edges with four equivalent Mn(1)Zr6Cr6 cuboctahedra, faces with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, faces with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, and faces with eight equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra. is represented by the CIF file [CIF]
data_ZrMnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.046
_cell_length_b   5.046
_cell_length_c   8.103
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.320
_symmetry_Int_Tables_number   1
_cell_volume   178.116
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.334  0.666  0.190  1.0
  Zr  Zr1  1  0.667  0.333  0.314  1.0
  Zr  Zr2  1  0.667  0.333  0.686  1.0
  Zr  Zr3  1  0.334  0.666  0.810  1.0
  Mn  Mn4  1  0.833  0.167  0.000  1.0
  Mn  Mn5  1  0.171  0.340  0.500  1.0
  Mn  Mn6  1  0.660  0.829  0.500  1.0
  Mn  Mn7  1  0.170  0.830  0.500  1.0
  Cr  Cr8  1  0.999  0.001  0.260  1.0
  Cr  Cr9  1  0.999  0.001  0.740  1.0
  Cr  Cr10  1  0.834  0.665  0.000  1.0
  Cr  Cr11  1  0.335  0.166  0.000  1.0
[/CIF]
.
The compound described by ZrCrMn crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); two equivalent Cr(2); three equivalent Cr(1); one Mn(1); two equivalent Mn(3); and four equivalent Mn(2) atoms. In the third Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. In the fourth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); three equivalent Cr(1); four equivalent Cr(2); one Mn(3); two equivalent Mn(1); and two equivalent Mn(2) atoms. In the fifth Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); two equivalent Cr(2); three equivalent Cr(1); one Mn(1); two equivalent Mn(3); and four equivalent Mn(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three Zr(1,1); three Zr(2,2); two equivalent Cr(2); one Mn(1); one Mn(3); and two equivalent Mn(2) atoms to form CrZr6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Zr6Cr6 cuboctahedra, corners with two equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, corners with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, edges with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, faces with two equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, faces with three equivalent Mn(1)Zr6Cr6 cuboctahedra, faces with three equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, and faces with six equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra. In the second Cr site, Cr(2) is bonded to two equivalent Zr(2); four Zr(1,1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Mn(1) atoms to form CrZr6Mn2Cr4 cuboctahedra that share corners with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, corners with four equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, corners with six equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, edges with two equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, edges with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, faces with two equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, faces with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, faces with four equivalent Mn(1)Zr6Cr6 cuboctahedra, and faces with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Zr(2); four Zr(1,1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form MnZr6Cr6 cuboctahedra that share corners with two equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Zr6Cr6 cuboctahedra, corners with eight equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, edges with two equivalent Mn(1)Zr6Cr6 cuboctahedra, edges with four equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, faces with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, and faces with eight equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra. In the second Mn site, Mn(2) is bonded to two Zr(1,1); four Zr(2,2); two equivalent Cr(1); two equivalent Mn(2); and two equivalent Mn(3) atoms to form distorted MnZr6Mn4Cr2 cuboctahedra that share corners with four equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(1)Zr6Cr6 cuboctahedra, corners with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, corners with six equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, edges with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, faces with two equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, faces with two equivalent Mn(1)Zr6Cr6 cuboctahedra, faces with four equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra, faces with four equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, and faces with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra. In the third Mn site, Mn(3) is bonded to two Zr(1,1); four equivalent Zr(2); two equivalent Cr(1); and four equivalent Mn(2) atoms to form distorted MnZr6Mn4Cr2 cuboctahedra that share corners with two equivalent Mn(1)Zr6Cr6 cuboctahedra, corners with four equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, corners with four equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, corners with eight equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, edges with two equivalent Mn(3)Zr6Mn4Cr2 cuboctahedra, edges with four equivalent Mn(1)Zr6Cr6 cuboctahedra, faces with four equivalent Cr(2)Zr6Mn2Cr4 cuboctahedra, faces with six equivalent Cr(1)Zr6Mn4Cr2 cuboctahedra, and faces with eight equivalent Mn(2)Zr6Mn4Cr2 cuboctahedra. is represented by the CIF file [CIF]
data_ZrMnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.046
_cell_length_b   5.046
_cell_length_c   8.103
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.320
_symmetry_Int_Tables_number   1
_cell_volume   178.116
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.334  0.666  0.190  1.0
  Zr  Zr1  1  0.667  0.333  0.314  1.0
  Zr  Zr2  1  0.667  0.333  0.686  1.0
  Zr  Zr3  1  0.334  0.666  0.810  1.0
  Mn  Mn4  1  0.833  0.167  0.000  1.0
  Mn  Mn5  1  0.171  0.340  0.500  1.0
  Mn  Mn6  1  0.660  0.829  0.500  1.0
  Mn  Mn7  1  0.170  0.830  0.500  1.0
  Cr  Cr8  1  0.999  0.001  0.260  1.0
  Cr  Cr9  1  0.999  0.001  0.740  1.0
  Cr  Cr10  1  0.834  0.665  0.000  1.0
  Cr  Cr11  1  0.335  0.166  0.000  1.0
[/CIF]
.