The compound described by NaCo3O4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra and corners with eight equivalent Co(2)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with four equivalent Na(1)O4 tetrahedra and corners with eight equivalent Co(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with four equivalent Na(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and corners with four equivalent Co(2)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form corner-sharing ONaCo3 tetrahedra. In the second O site, O(2) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form distorted corner-sharing ONaCo3 trigonal pyramids. In the third O site, O(3) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form corner-sharing ONaCo3 tetrahedra. is represented by the CIF card [CIF]
data_NaCo3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   5.719
_cell_length_c   6.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.404
_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  0.990  0.834  0.000  1.0
  Na  Na1  1  0.490  0.166  0.500  1.0
  Co  Co2  1  0.498  0.183  0.000  1.0
  Co  Co3  1  0.994  0.332  0.254  1.0
  Co  Co4  1  0.494  0.668  0.246  1.0
  Co  Co5  1  0.998  0.817  0.500  1.0
  Co  Co6  1  0.494  0.668  0.754  1.0
  Co  Co7  1  0.994  0.332  0.746  1.0
  O  O8  1  0.851  0.216  0.000  1.0
  O  O9  1  0.435  0.855  0.000  1.0
  O  O10  1  0.861  0.654  0.284  1.0
  O  O11  1  0.361  0.346  0.216  1.0
  O  O12  1  0.935  0.145  0.500  1.0
  O  O13  1  0.351  0.784  0.500  1.0
  O  O14  1  0.361  0.346  0.784  1.0
  O  O15  1  0.861  0.654  0.716  1.0
[/CIF]
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The compound described by NaCo3O4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra and corners with eight equivalent Co(2)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with four equivalent Na(1)O4 tetrahedra and corners with eight equivalent Co(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with four equivalent Na(1)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and corners with four equivalent Co(2)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form corner-sharing ONaCo3 tetrahedra. In the second O site, O(2) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form distorted corner-sharing ONaCo3 trigonal pyramids. In the third O site, O(3) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form corner-sharing ONaCo3 tetrahedra. is represented by the CIF card [CIF]
data_NaCo3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   5.719
_cell_length_c   6.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.404
_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  0.990  0.834  0.000  1.0
  Na  Na1  1  0.490  0.166  0.500  1.0
  Co  Co2  1  0.498  0.183  0.000  1.0
  Co  Co3  1  0.994  0.332  0.254  1.0
  Co  Co4  1  0.494  0.668  0.246  1.0
  Co  Co5  1  0.998  0.817  0.500  1.0
  Co  Co6  1  0.494  0.668  0.754  1.0
  Co  Co7  1  0.994  0.332  0.746  1.0
  O  O8  1  0.851  0.216  0.000  1.0
  O  O9  1  0.435  0.855  0.000  1.0
  O  O10  1  0.861  0.654  0.284  1.0
  O  O11  1  0.361  0.346  0.216  1.0
  O  O12  1  0.935  0.145  0.500  1.0
  O  O13  1  0.351  0.784  0.500  1.0
  O  O14  1  0.361  0.346  0.784  1.0
  O  O15  1  0.861  0.654  0.716  1.0
[/CIF]
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