The structure described by NaAlCO5 crystallizes in the orthorhombic Imma space group. Na(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted NaO6 octahedra that share edges with two equivalent Na(1)O6 octahedra and edges with four equivalent Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form AlO6 octahedra that share edges with two equivalent Al(1)O6 octahedra and edges with four equivalent Na(1)O6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Al(1), and one C(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Na(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_NaAlCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.025
_cell_length_b   7.025
_cell_length_c   7.025
_cell_angle_alpha   130.789
_cell_angle_beta   120.295
_cell_angle_gamma   80.925
_symmetry_Int_Tables_number   1
_cell_volume   218.663
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  C  C4  1  0.744  0.494  0.250  1.0
  C  C5  1  0.256  0.506  0.750  1.0
  O  O6  1  0.863  0.613  0.250  1.0
  O  O7  1  0.137  0.387  0.750  1.0
  O  O8  1  0.688  0.242  0.054  1.0
  O  O9  1  0.312  0.758  0.946  1.0
  O  O10  1  0.312  0.366  0.554  1.0
  O  O11  1  0.688  0.634  0.446  1.0
  O  O12  1  0.314  0.221  0.093  1.0
  O  O13  1  0.371  0.779  0.593  1.0
  O  O14  1  0.686  0.779  0.907  1.0
  O  O15  1  0.629  0.221  0.407  1.0
[/CIF]
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The structure described by NaAlCO5 crystallizes in the orthorhombic Imma space group. Na(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted NaO6 octahedra that share edges with two equivalent Na(1)O6 octahedra and edges with four equivalent Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form AlO6 octahedra that share edges with two equivalent Al(1)O6 octahedra and edges with four equivalent Na(1)O6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Al(1), and one C(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Na(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_NaAlCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.025
_cell_length_b   7.025
_cell_length_c   7.025
_cell_angle_alpha   130.789
_cell_angle_beta   120.295
_cell_angle_gamma   80.925
_symmetry_Int_Tables_number   1
_cell_volume   218.663
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  C  C4  1  0.744  0.494  0.250  1.0
  C  C5  1  0.256  0.506  0.750  1.0
  O  O6  1  0.863  0.613  0.250  1.0
  O  O7  1  0.137  0.387  0.750  1.0
  O  O8  1  0.688  0.242  0.054  1.0
  O  O9  1  0.312  0.758  0.946  1.0
  O  O10  1  0.312  0.366  0.554  1.0
  O  O11  1  0.688  0.634  0.446  1.0
  O  O12  1  0.314  0.221  0.093  1.0
  O  O13  1  0.371  0.779  0.593  1.0
  O  O14  1  0.686  0.779  0.907  1.0
  O  O15  1  0.629  0.221  0.407  1.0
[/CIF]
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