The material described by Mn6ZnGa(C)2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure consists of two 02329_fluka atoms inside a Mn6ZnGa framework. In the Mn6ZnGa framework, there are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to one Zn(1) and one Ga(1) atom. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent Ga(1) atoms. In the third Mn site, Mn(3) is bonded in a linear geometry to two equivalent Zn(1) atoms. In the fourth Mn site, Mn(2) is bonded in a linear geometry to two equivalent Ga(1) atoms. In the fifth Mn site, Mn(3) is bonded in a linear geometry to two equivalent Zn(1) atoms. Zn(1) is bonded to two equivalent Mn(1) and four Mn(3,3) atoms to form ZnMn6 octahedra that share corners with two equivalent Ga(1)Mn6 octahedra and corners with four equivalent Zn(1)Mn6 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to two equivalent Mn(1) and four Mn(2,2) atoms to form GaMn6 octahedra that share corners with two equivalent Zn(1)Mn6 octahedra and corners with four equivalent Ga(1)Mn6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6ZnGaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.620
_cell_length_b   4.620
_cell_length_c   9.231
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.985
_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
  Mn  Mn0  1  0.500  0.500  0.998  1.0
  Mn  Mn1  1  0.500  0.500  0.502  1.0
  Mn  Mn2  1  0.500  0.000  0.250  1.0
  Mn  Mn3  1  0.500  0.000  0.750  1.0
  Mn  Mn4  1  0.000  0.500  0.250  1.0
  Mn  Mn5  1  0.000  0.500  0.750  1.0
  Zn  Zn6  1  0.500  0.500  0.750  1.0
  Ga  Ga7  1  0.500  0.500  0.250  1.0
  C  C8  1  0.000  0.000  0.002  1.0
  C  C9  1  0.000  0.000  0.498  1.0
[/CIF]
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The material described by Mn6ZnGa(C)2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure consists of two 02329_fluka atoms inside a Mn6ZnGa framework. In the Mn6ZnGa framework, there are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to one Zn(1) and one Ga(1) atom. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent Ga(1) atoms. In the third Mn site, Mn(3) is bonded in a linear geometry to two equivalent Zn(1) atoms. In the fourth Mn site, Mn(2) is bonded in a linear geometry to two equivalent Ga(1) atoms. In the fifth Mn site, Mn(3) is bonded in a linear geometry to two equivalent Zn(1) atoms. Zn(1) is bonded to two equivalent Mn(1) and four Mn(3,3) atoms to form ZnMn6 octahedra that share corners with two equivalent Ga(1)Mn6 octahedra and corners with four equivalent Zn(1)Mn6 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to two equivalent Mn(1) and four Mn(2,2) atoms to form GaMn6 octahedra that share corners with two equivalent Zn(1)Mn6 octahedra and corners with four equivalent Ga(1)Mn6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6ZnGaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.620
_cell_length_b   4.620
_cell_length_c   9.231
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.985
_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
  Mn  Mn0  1  0.500  0.500  0.998  1.0
  Mn  Mn1  1  0.500  0.500  0.502  1.0
  Mn  Mn2  1  0.500  0.000  0.250  1.0
  Mn  Mn3  1  0.500  0.000  0.750  1.0
  Mn  Mn4  1  0.000  0.500  0.250  1.0
  Mn  Mn5  1  0.000  0.500  0.750  1.0
  Zn  Zn6  1  0.500  0.500  0.750  1.0
  Ga  Ga7  1  0.500  0.500  0.250  1.0
  C  C8  1  0.000  0.000  0.002  1.0
  C  C9  1  0.000  0.000  0.498  1.0
[/CIF]
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