The compound described by NaAl(OH)2CO3 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. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one C(1) and two equivalent H(1) atoms. 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 4-coordinate geometry to one Na(1), two equivalent Al(1), and one H(1) atom. is represented by the CIF card [CIF]
data_NaAlH2CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.750
_cell_length_b   6.750
_cell_length_c   6.750
_cell_angle_alpha   131.285
_cell_angle_beta   120.186
_cell_angle_gamma   80.641
_symmetry_Int_Tables_number   1
_cell_volume   192.831
_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  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  H  H4  1  0.228  0.280  0.948  1.0
  H  H5  1  0.169  0.720  0.448  1.0
  H  H6  1  0.772  0.720  0.052  1.0
  H  H7  1  0.831  0.280  0.552  1.0
  C  C8  1  0.751  0.501  0.250  1.0
  C  C9  1  0.249  0.499  0.750  1.0
  O  O10  1  0.873  0.623  0.250  1.0
  O  O11  1  0.127  0.377  0.750  1.0
  O  O12  1  0.687  0.640  0.453  1.0
  O  O13  1  0.313  0.360  0.547  1.0
  O  O14  1  0.313  0.766  0.953  1.0
  O  O15  1  0.687  0.234  0.047  1.0
  O  O16  1  0.293  0.225  0.068  1.0
  O  O17  1  0.343  0.775  0.568  1.0
  O  O18  1  0.707  0.775  0.932  1.0
  O  O19  1  0.657  0.225  0.432  1.0
[/CIF]
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The compound described by NaAl(OH)2CO3 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. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one C(1) and two equivalent H(1) atoms. 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 4-coordinate geometry to one Na(1), two equivalent Al(1), and one H(1) atom. is represented by the CIF card [CIF]
data_NaAlH2CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.750
_cell_length_b   6.750
_cell_length_c   6.750
_cell_angle_alpha   131.285
_cell_angle_beta   120.186
_cell_angle_gamma   80.641
_symmetry_Int_Tables_number   1
_cell_volume   192.831
_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  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.000  1.0
  H  H4  1  0.228  0.280  0.948  1.0
  H  H5  1  0.169  0.720  0.448  1.0
  H  H6  1  0.772  0.720  0.052  1.0
  H  H7  1  0.831  0.280  0.552  1.0
  C  C8  1  0.751  0.501  0.250  1.0
  C  C9  1  0.249  0.499  0.750  1.0
  O  O10  1  0.873  0.623  0.250  1.0
  O  O11  1  0.127  0.377  0.750  1.0
  O  O12  1  0.687  0.640  0.453  1.0
  O  O13  1  0.313  0.360  0.547  1.0
  O  O14  1  0.313  0.766  0.953  1.0
  O  O15  1  0.687  0.234  0.047  1.0
  O  O16  1  0.293  0.225  0.068  1.0
  O  O17  1  0.343  0.775  0.568  1.0
  O  O18  1  0.707  0.775  0.932  1.0
  O  O19  1  0.657  0.225  0.432  1.0
[/CIF]
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