The compound described by ZrMn6GaSn5 crystallizes in the hexagonal P-6m2 space group. Zr(1) is bonded to three equivalent Ga(1), two equivalent Sn(1), and three equivalent Sn(4) atoms to form distorted ZrGa3Sn5 hexagonal bipyramids that share corners with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, corners with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, edges with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, edges with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, and edges with six equivalent Zr(1)Ga3Sn5 hexagonal bipyramids. Mn(1) is bonded in a 6-coordinate geometry to one Ga(1), one Sn(2), one Sn(3), one Sn(4), and two equivalent Sn(1) atoms. Ga(1) is bonded to three equivalent Zr(1), six equivalent Mn(1), and three equivalent Sn(4) atoms to form distorted GaZr3Mn6Sn3 cuboctahedra that share corners with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, corners with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, edges with six equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, edges with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, and faces with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Zr(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the fourth Sn site, Sn(4) is bonded to three equivalent Zr(1), six equivalent Mn(1), and three equivalent Ga(1) atoms to form distorted SnZr3Mn6Ga3 cuboctahedra that share corners with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, corners with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, edges with six equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, edges with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, and faces with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra. is represented by the CIF card [CIF]
data_ZrMn6GaSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.354
_cell_length_c   8.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.987
_symmetry_Int_Tables_number   1
_cell_volume   220.987
_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
  Zr  Zr0  1  1.000  0.000  0.500  1.0
  Mn  Mn1  1  0.497  0.006  0.258  1.0
  Mn  Mn2  1  0.006  0.497  0.258  1.0
  Mn  Mn3  1  0.497  0.497  0.258  1.0
  Mn  Mn4  1  0.497  0.006  0.742  1.0
  Mn  Mn5  1  0.006  0.497  0.742  1.0
  Mn  Mn6  1  0.497  0.497  0.742  1.0
  Ga  Ga7  1  0.333  0.333  0.500  1.0
  Sn  Sn8  1  1.000  0.000  0.173  1.0
  Sn  Sn9  1  1.000  0.000  0.827  1.0
  Sn  Sn10  1  0.667  0.667  0.000  1.0
  Sn  Sn11  1  0.333  0.333  0.000  1.0
  Sn  Sn12  1  0.667  0.667  0.500  1.0
[/CIF]
.
The compound described by ZrMn6GaSn5 crystallizes in the hexagonal P-6m2 space group. Zr(1) is bonded to three equivalent Ga(1), two equivalent Sn(1), and three equivalent Sn(4) atoms to form distorted ZrGa3Sn5 hexagonal bipyramids that share corners with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, corners with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, edges with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, edges with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, and edges with six equivalent Zr(1)Ga3Sn5 hexagonal bipyramids. Mn(1) is bonded in a 6-coordinate geometry to one Ga(1), one Sn(2), one Sn(3), one Sn(4), and two equivalent Sn(1) atoms. Ga(1) is bonded to three equivalent Zr(1), six equivalent Mn(1), and three equivalent Sn(4) atoms to form distorted GaZr3Mn6Sn3 cuboctahedra that share corners with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, corners with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, edges with six equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, edges with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, and faces with three equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Zr(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the fourth Sn site, Sn(4) is bonded to three equivalent Zr(1), six equivalent Mn(1), and three equivalent Ga(1) atoms to form distorted SnZr3Mn6Ga3 cuboctahedra that share corners with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra, corners with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, edges with six equivalent Sn(4)Zr3Mn6Ga3 cuboctahedra, edges with three equivalent Zr(1)Ga3Sn5 hexagonal bipyramids, and faces with three equivalent Ga(1)Zr3Mn6Sn3 cuboctahedra. is represented by the CIF card [CIF]
data_ZrMn6GaSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.352
_cell_length_b   5.354
_cell_length_c   8.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.987
_symmetry_Int_Tables_number   1
_cell_volume   220.987
_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
  Zr  Zr0  1  1.000  0.000  0.500  1.0
  Mn  Mn1  1  0.497  0.006  0.258  1.0
  Mn  Mn2  1  0.006  0.497  0.258  1.0
  Mn  Mn3  1  0.497  0.497  0.258  1.0
  Mn  Mn4  1  0.497  0.006  0.742  1.0
  Mn  Mn5  1  0.006  0.497  0.742  1.0
  Mn  Mn6  1  0.497  0.497  0.742  1.0
  Ga  Ga7  1  0.333  0.333  0.500  1.0
  Sn  Sn8  1  1.000  0.000  0.173  1.0
  Sn  Sn9  1  1.000  0.000  0.827  1.0
  Sn  Sn10  1  0.667  0.667  0.000  1.0
  Sn  Sn11  1  0.333  0.333  0.000  1.0
  Sn  Sn12  1  0.667  0.667  0.500  1.0
[/CIF]
.