The compound described by Dy2Mn12Ga5 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 18-coordinate geometry to six equivalent Mn(1) and twelve equivalent Mn(2) atoms. In the second Dy site, Dy(2) is bonded in a 20-coordinate geometry to six equivalent Mn(1), six equivalent Mn(2), two equivalent Ga(1), and six equivalent Ga(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to one Dy(1), one Dy(2), two equivalent Mn(1), four equivalent Mn(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Mn(2), four equivalent Mn(1), one Ga(1), and two equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded to two equivalent Dy(2), four equivalent Mn(1), four equivalent Mn(2), and two equivalent Ga(1) atoms to form a mixture of distorted face and corner-sharing GaDy2Mn8Ga2 cuboctahedra. In the second Ga site, Ga(1) is bonded in a 14-coordinate geometry to one Dy(2), three equivalent Mn(2), six equivalent Mn(1), one Ga(1), and three equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_Dy2Mn12Ga5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.542
_cell_length_b   8.542
_cell_length_c   8.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   534.022
_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
  Dy  Dy0  1  0.000  0.000  0.250  1.0
  Dy  Dy1  1  0.000  0.000  0.750  1.0
  Dy  Dy2  1  0.333  0.667  0.750  1.0
  Dy  Dy3  1  0.667  0.333  0.250  1.0
  Mn  Mn4  1  0.324  0.354  0.250  1.0
  Mn  Mn5  1  0.646  0.970  0.250  1.0
  Mn  Mn6  1  0.030  0.676  0.250  1.0
  Mn  Mn7  1  0.646  0.676  0.250  1.0
  Mn  Mn8  1  0.030  0.354  0.250  1.0
  Mn  Mn9  1  0.324  0.970  0.250  1.0
  Mn  Mn10  1  0.676  0.646  0.750  1.0
  Mn  Mn11  1  0.354  0.030  0.750  1.0
  Mn  Mn12  1  0.970  0.324  0.750  1.0
  Mn  Mn13  1  0.354  0.324  0.750  1.0
  Mn  Mn14  1  0.970  0.646  0.750  1.0
  Mn  Mn15  1  0.676  0.030  0.750  1.0
  Mn  Mn16  1  0.155  0.845  0.507  1.0
  Mn  Mn17  1  0.155  0.310  0.507  1.0
  Mn  Mn18  1  0.690  0.845  0.507  1.0
  Mn  Mn19  1  0.845  0.155  0.493  1.0
  Mn  Mn20  1  0.845  0.690  0.493  1.0
  Mn  Mn21  1  0.310  0.155  0.493  1.0
  Mn  Mn22  1  0.845  0.155  0.007  1.0
  Mn  Mn23  1  0.845  0.690  0.007  1.0
  Mn  Mn24  1  0.310  0.155  0.007  1.0
  Mn  Mn25  1  0.155  0.845  0.993  1.0
  Mn  Mn26  1  0.155  0.310  0.993  1.0
  Mn  Mn27  1  0.690  0.845  0.993  1.0
  Ga  Ga28  1  0.333  0.667  0.395  1.0
  Ga  Ga29  1  0.667  0.333  0.605  1.0
  Ga  Ga30  1  0.667  0.333  0.895  1.0
  Ga  Ga31  1  0.333  0.667  0.105  1.0
  Ga  Ga32  1  0.500  0.500  0.500  1.0
  Ga  Ga33  1  0.500  0.000  0.500  1.0
  Ga  Ga34  1  0.000  0.500  0.500  1.0
  Ga  Ga35  1  0.500  0.500  0.000  1.0
  Ga  Ga36  1  0.500  0.000  0.000  1.0
  Ga  Ga37  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by Dy2Mn12Ga5 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 18-coordinate geometry to six equivalent Mn(1) and twelve equivalent Mn(2) atoms. In the second Dy site, Dy(2) is bonded in a 20-coordinate geometry to six equivalent Mn(1), six equivalent Mn(2), two equivalent Ga(1), and six equivalent Ga(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to one Dy(1), one Dy(2), two equivalent Mn(1), four equivalent Mn(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Mn(2), four equivalent Mn(1), one Ga(1), and two equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded to two equivalent Dy(2), four equivalent Mn(1), four equivalent Mn(2), and two equivalent Ga(1) atoms to form a mixture of distorted face and corner-sharing GaDy2Mn8Ga2 cuboctahedra. In the second Ga site, Ga(1) is bonded in a 14-coordinate geometry to one Dy(2), three equivalent Mn(2), six equivalent Mn(1), one Ga(1), and three equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_Dy2Mn12Ga5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.542
_cell_length_b   8.542
_cell_length_c   8.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   534.022
_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
  Dy  Dy0  1  0.000  0.000  0.250  1.0
  Dy  Dy1  1  0.000  0.000  0.750  1.0
  Dy  Dy2  1  0.333  0.667  0.750  1.0
  Dy  Dy3  1  0.667  0.333  0.250  1.0
  Mn  Mn4  1  0.324  0.354  0.250  1.0
  Mn  Mn5  1  0.646  0.970  0.250  1.0
  Mn  Mn6  1  0.030  0.676  0.250  1.0
  Mn  Mn7  1  0.646  0.676  0.250  1.0
  Mn  Mn8  1  0.030  0.354  0.250  1.0
  Mn  Mn9  1  0.324  0.970  0.250  1.0
  Mn  Mn10  1  0.676  0.646  0.750  1.0
  Mn  Mn11  1  0.354  0.030  0.750  1.0
  Mn  Mn12  1  0.970  0.324  0.750  1.0
  Mn  Mn13  1  0.354  0.324  0.750  1.0
  Mn  Mn14  1  0.970  0.646  0.750  1.0
  Mn  Mn15  1  0.676  0.030  0.750  1.0
  Mn  Mn16  1  0.155  0.845  0.507  1.0
  Mn  Mn17  1  0.155  0.310  0.507  1.0
  Mn  Mn18  1  0.690  0.845  0.507  1.0
  Mn  Mn19  1  0.845  0.155  0.493  1.0
  Mn  Mn20  1  0.845  0.690  0.493  1.0
  Mn  Mn21  1  0.310  0.155  0.493  1.0
  Mn  Mn22  1  0.845  0.155  0.007  1.0
  Mn  Mn23  1  0.845  0.690  0.007  1.0
  Mn  Mn24  1  0.310  0.155  0.007  1.0
  Mn  Mn25  1  0.155  0.845  0.993  1.0
  Mn  Mn26  1  0.155  0.310  0.993  1.0
  Mn  Mn27  1  0.690  0.845  0.993  1.0
  Ga  Ga28  1  0.333  0.667  0.395  1.0
  Ga  Ga29  1  0.667  0.333  0.605  1.0
  Ga  Ga30  1  0.667  0.333  0.895  1.0
  Ga  Ga31  1  0.333  0.667  0.105  1.0
  Ga  Ga32  1  0.500  0.500  0.500  1.0
  Ga  Ga33  1  0.500  0.000  0.500  1.0
  Ga  Ga34  1  0.000  0.500  0.500  1.0
  Ga  Ga35  1  0.500  0.500  0.000  1.0
  Ga  Ga36  1  0.500  0.000  0.000  1.0
  Ga  Ga37  1  0.000  0.500  0.000  1.0
[/CIF]
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