The crystal structure described by NaCoPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.299
_cell_length_b   7.476
_cell_length_c   10.138
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.230
_symmetry_Int_Tables_number   1
_cell_volume   401.613
_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
  Na  Na0  1  0.716  0.516  0.119  1.0
  Na  Na1  1  0.216  0.016  0.381  1.0
  Na  Na2  1  0.284  0.484  0.881  1.0
  Na  Na3  1  0.784  0.984  0.619  1.0
  Co  Co4  1  0.703  0.008  0.169  1.0
  Co  Co5  1  0.203  0.508  0.331  1.0
  Co  Co6  1  0.797  0.492  0.669  1.0
  Co  Co7  1  0.297  0.992  0.831  1.0
  P  P8  1  0.300  0.720  0.599  1.0
  P  P9  1  0.200  0.780  0.099  1.0
  P  P10  1  0.700  0.280  0.401  1.0
  P  P11  1  0.800  0.220  0.901  1.0
  O  O12  1  0.749  0.214  0.052  1.0
  O  O13  1  0.249  0.714  0.448  1.0
  O  O14  1  0.251  0.786  0.948  1.0
  O  O15  1  0.751  0.286  0.552  1.0
  O  O16  1  0.914  0.798  0.130  1.0
  O  O17  1  0.414  0.298  0.370  1.0
  O  O18  1  0.586  0.702  0.630  1.0
  O  O19  1  0.086  0.202  0.870  1.0
  O  O20  1  0.782  0.088  0.356  1.0
  O  O21  1  0.282  0.588  0.144  1.0
  O  O22  1  0.218  0.912  0.644  1.0
  O  O23  1  0.718  0.412  0.856  1.0
  O  O24  1  0.347  0.928  0.173  1.0
  O  O25  1  0.653  0.072  0.827  1.0
  O  O26  1  0.153  0.572  0.673  1.0
  O  O27  1  0.847  0.428  0.327  1.0
[/CIF]
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The crystal structure described by NaCoPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.299
_cell_length_b   7.476
_cell_length_c   10.138
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.230
_symmetry_Int_Tables_number   1
_cell_volume   401.613
_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
  Na  Na0  1  0.716  0.516  0.119  1.0
  Na  Na1  1  0.216  0.016  0.381  1.0
  Na  Na2  1  0.284  0.484  0.881  1.0
  Na  Na3  1  0.784  0.984  0.619  1.0
  Co  Co4  1  0.703  0.008  0.169  1.0
  Co  Co5  1  0.203  0.508  0.331  1.0
  Co  Co6  1  0.797  0.492  0.669  1.0
  Co  Co7  1  0.297  0.992  0.831  1.0
  P  P8  1  0.300  0.720  0.599  1.0
  P  P9  1  0.200  0.780  0.099  1.0
  P  P10  1  0.700  0.280  0.401  1.0
  P  P11  1  0.800  0.220  0.901  1.0
  O  O12  1  0.749  0.214  0.052  1.0
  O  O13  1  0.249  0.714  0.448  1.0
  O  O14  1  0.251  0.786  0.948  1.0
  O  O15  1  0.751  0.286  0.552  1.0
  O  O16  1  0.914  0.798  0.130  1.0
  O  O17  1  0.414  0.298  0.370  1.0
  O  O18  1  0.586  0.702  0.630  1.0
  O  O19  1  0.086  0.202  0.870  1.0
  O  O20  1  0.782  0.088  0.356  1.0
  O  O21  1  0.282  0.588  0.144  1.0
  O  O22  1  0.218  0.912  0.644  1.0
  O  O23  1  0.718  0.412  0.856  1.0
  O  O24  1  0.347  0.928  0.173  1.0
  O  O25  1  0.653  0.072  0.827  1.0
  O  O26  1  0.153  0.572  0.673  1.0
  O  O27  1  0.847  0.428  0.327  1.0
[/CIF]
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