The material structure described by (Mn3Ga)4(C)2N2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom and one ammonia atom inside a Mn3Ga framework. In the Mn3Ga framework, there are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to two equivalent Ga(1) atoms. 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 Ga(1) atoms. Ga(1) is bonded to one Mn(1), one Mn(2), and four equivalent Mn(3) atoms to form corner-sharing GaMn6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6Ga2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.688
_cell_length_b   4.688
_cell_length_c   9.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.424
_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  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.241  1.0
  Mn  Mn3  1  0.500  0.000  0.759  1.0
  Mn  Mn4  1  0.000  0.500  0.241  1.0
  Mn  Mn5  1  0.000  0.500  0.759  1.0
  Ga  Ga6  1  0.500  0.500  0.251  1.0
  Ga  Ga7  1  0.500  0.500  0.749  1.0
  C  C8  1  0.000  0.000  0.000  1.0
  N  N9  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by (Mn3Ga)4(C)2N2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom and one ammonia atom inside a Mn3Ga framework. In the Mn3Ga framework, there are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to two equivalent Ga(1) atoms. 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 Ga(1) atoms. Ga(1) is bonded to one Mn(1), one Mn(2), and four equivalent Mn(3) atoms to form corner-sharing GaMn6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6Ga2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.688
_cell_length_b   4.688
_cell_length_c   9.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.424
_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  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.241  1.0
  Mn  Mn3  1  0.500  0.000  0.759  1.0
  Mn  Mn4  1  0.000  0.500  0.241  1.0
  Mn  Mn5  1  0.000  0.500  0.759  1.0
  Ga  Ga6  1  0.500  0.500  0.251  1.0
  Ga  Ga7  1  0.500  0.500  0.749  1.0
  C  C8  1  0.000  0.000  0.000  1.0
  N  N9  1  0.000  0.000  0.500  1.0
[/CIF]
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