The material structure described by (CoAlF6)2N2 crystallizes in the orthorhombic Pnma space group. The structure consists of four ammonia atoms inside a CoAlF6 framework. In the CoAlF6 framework, Co(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. Al(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Co(1) and one Al(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Co(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCoNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.951
_cell_length_b   7.251
_cell_length_c   10.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.119
_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
  Al  Al0  1  0.500  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.250  0.225  0.735  1.0
  Co  Co5  1  0.250  0.725  0.765  1.0
  Co  Co6  1  0.750  0.775  0.265  1.0
  Co  Co7  1  0.750  0.275  0.235  1.0
  N  N8  1  0.250  0.012  0.374  1.0
  N  N9  1  0.250  0.512  0.126  1.0
  N  N10  1  0.750  0.988  0.626  1.0
  N  N11  1  0.750  0.488  0.874  1.0
  F  F12  1  0.250  0.468  0.821  1.0
  F  F13  1  0.250  0.968  0.679  1.0
  F  F14  1  0.750  0.532  0.179  1.0
  F  F15  1  0.750  0.032  0.321  1.0
  F  F16  1  0.250  0.017  0.055  1.0
  F  F17  1  0.250  0.517  0.445  1.0
  F  F18  1  0.750  0.983  0.945  1.0
  F  F19  1  0.750  0.483  0.555  1.0
  F  F20  1  0.447  0.155  0.861  1.0
  F  F21  1  0.053  0.655  0.639  1.0
  F  F22  1  0.947  0.845  0.139  1.0
  F  F23  1  0.553  0.345  0.361  1.0
  F  F24  1  0.553  0.845  0.139  1.0
  F  F25  1  0.947  0.345  0.361  1.0
  F  F26  1  0.053  0.155  0.861  1.0
  F  F27  1  0.447  0.655  0.639  1.0
  F  F28  1  0.438  0.800  0.895  1.0
  F  F29  1  0.062  0.300  0.605  1.0
  F  F30  1  0.938  0.200  0.105  1.0
  F  F31  1  0.562  0.700  0.395  1.0
  F  F32  1  0.562  0.200  0.105  1.0
  F  F33  1  0.938  0.700  0.395  1.0
  F  F34  1  0.062  0.800  0.895  1.0
  F  F35  1  0.438  0.300  0.605  1.0
[/CIF]
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The material structure described by (CoAlF6)2N2 crystallizes in the orthorhombic Pnma space group. The structure consists of four ammonia atoms inside a CoAlF6 framework. In the CoAlF6 framework, Co(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 37-43°. Al(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Co(1) and one Al(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Co(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCoNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.951
_cell_length_b   7.251
_cell_length_c   10.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.119
_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
  Al  Al0  1  0.500  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.250  0.225  0.735  1.0
  Co  Co5  1  0.250  0.725  0.765  1.0
  Co  Co6  1  0.750  0.775  0.265  1.0
  Co  Co7  1  0.750  0.275  0.235  1.0
  N  N8  1  0.250  0.012  0.374  1.0
  N  N9  1  0.250  0.512  0.126  1.0
  N  N10  1  0.750  0.988  0.626  1.0
  N  N11  1  0.750  0.488  0.874  1.0
  F  F12  1  0.250  0.468  0.821  1.0
  F  F13  1  0.250  0.968  0.679  1.0
  F  F14  1  0.750  0.532  0.179  1.0
  F  F15  1  0.750  0.032  0.321  1.0
  F  F16  1  0.250  0.017  0.055  1.0
  F  F17  1  0.250  0.517  0.445  1.0
  F  F18  1  0.750  0.983  0.945  1.0
  F  F19  1  0.750  0.483  0.555  1.0
  F  F20  1  0.447  0.155  0.861  1.0
  F  F21  1  0.053  0.655  0.639  1.0
  F  F22  1  0.947  0.845  0.139  1.0
  F  F23  1  0.553  0.345  0.361  1.0
  F  F24  1  0.553  0.845  0.139  1.0
  F  F25  1  0.947  0.345  0.361  1.0
  F  F26  1  0.053  0.155  0.861  1.0
  F  F27  1  0.447  0.655  0.639  1.0
  F  F28  1  0.438  0.800  0.895  1.0
  F  F29  1  0.062  0.300  0.605  1.0
  F  F30  1  0.938  0.200  0.105  1.0
  F  F31  1  0.562  0.700  0.395  1.0
  F  F32  1  0.562  0.200  0.105  1.0
  F  F33  1  0.938  0.700  0.395  1.0
  F  F34  1  0.062  0.800  0.895  1.0
  F  F35  1  0.438  0.300  0.605  1.0
[/CIF]
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