The compound described by NaCoP2HO7 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one H(4), one O(13), one O(21), one O(24), one O(26), one O(6), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one H(3), one O(10), one O(14), one O(22), one O(23), one O(25), one O(5), and one O(7) atom. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one H(2), one O(11), one O(15), one O(22), one O(23), one O(28), one O(6), and one O(8) atom. In the fourth Na site, Na(4) is bonded in a 8-coordinate geometry to one H(1), one O(12), one O(16), one O(21), one O(24), one O(27), one O(5), and one O(7) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(16), one O(18), one O(26), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(14), one O(16), one O(20), one O(28), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. In the third Co site, Co(3) is bonded to one O(12), one O(13), one O(15), one O(17), one O(25), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Co(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(13), one O(15), one O(19), one O(27), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(22), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third P site, P(3) is bonded to one O(15), one O(23), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the fourth P site, P(4) is bonded to one O(16), one O(24), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the fifth P site, P(5) is bonded to one O(17), one O(25), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-50°. In the sixth P site, P(6) is bonded to one O(10), one O(18), one O(26), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-50°. In the seventh P site, P(7) is bonded to one O(11), one O(19), one O(2), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-50°. In the eighth P site, P(8) is bonded to one O(1), one O(12), one O(20), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one Na(4), one O(21), and one O(27) atom. In the second H site, H(2) is bonded in a linear geometry to one Na(3), one O(22), and one O(28) atom. In the third H site, H(3) is bonded in a linear geometry to one Na(2), one O(23), and one O(25) atom. In the fourth H site, H(4) is bonded in a linear geometry to one Na(1), one O(24), and one O(26) atom. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(3) and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Co(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Co(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Co(4), and one P(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Co(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(2), and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Na(2), one Co(4), and one P(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Na(3), one Co(1), and one P(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Na(4), one Co(3), and one P(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(1), one Co(3), one Co(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one Co(1), one Co(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(3), one Co(3), one Co(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(4), one Co(1), one Co(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(7) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(8) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Na(1), one Na(4), one P(1), and one H(1) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), one P(2), and one H(2) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), one P(3), and one H(3) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Na(1), one Na(4), one P(4), and one H(4) atom. In the twenty-fifth O site, O(25) is bonded in a 2-coordinate geometry to one Na(2), one Co(3), one P(5), and one H(3) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Na(1), one Co(1), one P(6), and one H(4) atom. In the twenty-seventh O site, O(27) is bonded in a 2-coordinate geometry to one Na(4), one Co(4), one P(7), and one H(1) atom. In the twenty-eighth O site, O(28) is bonded in a 2-coordinate geometry to one Na(3), one Co(2), one P(8), and one H(2) atom. is represented by the CIF file [CIF]
data_NaCoP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.554
_cell_length_b   6.684
_cell_length_c   6.610
_cell_angle_alpha   84.205
_cell_angle_beta   88.850
_cell_angle_gamma   67.894
_symmetry_Int_Tables_number   1
_cell_volume   266.843
_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
  Co  Co0  1  0.715  0.890  0.354  1.0
  Co  Co1  1  0.285  0.112  0.646  1.0
  H  H2  1  0.452  0.690  0.801  1.0
  H  H3  1  0.543  0.311  0.196  1.0
  Na  Na4  1  0.765  0.247  0.877  1.0
  Na  Na5  1  0.237  0.752  0.123  1.0
  O  O6  1  0.984  0.623  0.786  1.0
  O  O7  1  0.017  0.377  0.214  1.0
  O  O8  1  0.786  0.890  0.035  1.0
  O  O9  1  0.212  0.111  0.965  1.0
  O  O10  1  0.954  0.243  0.577  1.0
  O  O11  1  0.047  0.757  0.424  1.0
  O  O12  1  0.635  0.950  0.672  1.0
  O  O13  1  0.364  0.049  0.327  1.0
  O  O14  1  0.675  0.594  0.386  1.0
  O  O15  1  0.327  0.406  0.614  1.0
  O  O16  1  0.620  0.630  0.907  1.0
  O  O17  1  0.381  0.369  0.094  1.0
  O  O18  1  0.722  0.222  0.286  1.0
  O  O19  1  0.279  0.778  0.715  1.0
  P  P20  1  0.746  0.782  0.855  1.0
  P  P21  1  0.253  0.217  0.145  1.0
  P  P22  1  0.833  0.362  0.380  1.0
  P  P23  1  0.168  0.637  0.621  1.0
[/CIF]
.
The compound described by NaCoP2HO7 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one H(4), one O(13), one O(21), one O(24), one O(26), one O(6), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one H(3), one O(10), one O(14), one O(22), one O(23), one O(25), one O(5), and one O(7) atom. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one H(2), one O(11), one O(15), one O(22), one O(23), one O(28), one O(6), and one O(8) atom. In the fourth Na site, Na(4) is bonded in a 8-coordinate geometry to one H(1), one O(12), one O(16), one O(21), one O(24), one O(27), one O(5), and one O(7) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(16), one O(18), one O(26), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(14), one O(16), one O(20), one O(28), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. In the third Co site, Co(3) is bonded to one O(12), one O(13), one O(15), one O(17), one O(25), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Co(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(13), one O(15), one O(19), one O(27), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(22), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third P site, P(3) is bonded to one O(15), one O(23), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the fourth P site, P(4) is bonded to one O(16), one O(24), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the fifth P site, P(5) is bonded to one O(17), one O(25), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-50°. In the sixth P site, P(6) is bonded to one O(10), one O(18), one O(26), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-50°. In the seventh P site, P(7) is bonded to one O(11), one O(19), one O(2), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-50°. In the eighth P site, P(8) is bonded to one O(1), one O(12), one O(20), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one Na(4), one O(21), and one O(27) atom. In the second H site, H(2) is bonded in a linear geometry to one Na(3), one O(22), and one O(28) atom. In the third H site, H(3) is bonded in a linear geometry to one Na(2), one O(23), and one O(25) atom. In the fourth H site, H(4) is bonded in a linear geometry to one Na(1), one O(24), and one O(26) atom. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(3) and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Co(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Co(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Co(4), and one P(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Co(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Na(1), one Co(2), and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Na(2), one Co(4), and one P(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Na(3), one Co(1), and one P(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Na(4), one Co(3), and one P(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(1), one Co(3), one Co(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one Co(1), one Co(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(3), one Co(3), one Co(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(4), one Co(1), one Co(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(7) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(8) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Na(1), one Na(4), one P(1), and one H(1) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), one P(2), and one H(2) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), one P(3), and one H(3) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Na(1), one Na(4), one P(4), and one H(4) atom. In the twenty-fifth O site, O(25) is bonded in a 2-coordinate geometry to one Na(2), one Co(3), one P(5), and one H(3) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Na(1), one Co(1), one P(6), and one H(4) atom. In the twenty-seventh O site, O(27) is bonded in a 2-coordinate geometry to one Na(4), one Co(4), one P(7), and one H(1) atom. In the twenty-eighth O site, O(28) is bonded in a 2-coordinate geometry to one Na(3), one Co(2), one P(8), and one H(2) atom. is represented by the CIF file [CIF]
data_NaCoP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.554
_cell_length_b   6.684
_cell_length_c   6.610
_cell_angle_alpha   84.205
_cell_angle_beta   88.850
_cell_angle_gamma   67.894
_symmetry_Int_Tables_number   1
_cell_volume   266.843
_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
  Co  Co0  1  0.715  0.890  0.354  1.0
  Co  Co1  1  0.285  0.112  0.646  1.0
  H  H2  1  0.452  0.690  0.801  1.0
  H  H3  1  0.543  0.311  0.196  1.0
  Na  Na4  1  0.765  0.247  0.877  1.0
  Na  Na5  1  0.237  0.752  0.123  1.0
  O  O6  1  0.984  0.623  0.786  1.0
  O  O7  1  0.017  0.377  0.214  1.0
  O  O8  1  0.786  0.890  0.035  1.0
  O  O9  1  0.212  0.111  0.965  1.0
  O  O10  1  0.954  0.243  0.577  1.0
  O  O11  1  0.047  0.757  0.424  1.0
  O  O12  1  0.635  0.950  0.672  1.0
  O  O13  1  0.364  0.049  0.327  1.0
  O  O14  1  0.675  0.594  0.386  1.0
  O  O15  1  0.327  0.406  0.614  1.0
  O  O16  1  0.620  0.630  0.907  1.0
  O  O17  1  0.381  0.369  0.094  1.0
  O  O18  1  0.722  0.222  0.286  1.0
  O  O19  1  0.279  0.778  0.715  1.0
  P  P20  1  0.746  0.782  0.855  1.0
  P  P21  1  0.253  0.217  0.145  1.0
  P  P22  1  0.833  0.362  0.380  1.0
  P  P23  1  0.168  0.637  0.621  1.0
[/CIF]
.