The compound described by BaCoBP2HO9 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(17), one O(20), one O(25), one O(3), one O(31), one O(33), one O(8), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(10), one O(18), one O(19), one O(2), one O(26), one O(32), one O(34), one O(4), one O(7), and one O(9) atom. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(12), one O(18), one O(19), one O(27), one O(29), one O(3), one O(35), and one O(6) atom. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(11), one O(12), one O(17), one O(2), one O(20), one O(28), one O(30), one O(36), one O(4), and one O(5) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(14), one O(18), one O(26), one O(35), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one B(4)O4 tetrahedra,  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, and  a cornercorner with one P(8)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(15), one O(19), one O(27), one O(34), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  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(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(17), one O(25), one O(3), and one O(36) atom to form CoO6 octahedra that share  a cornercorner with one B(3)O4 tetrahedra,  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(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(16), one O(2), one O(20), one O(28), and one O(33) atom to form CoO6 octahedra that share  a cornercorner with one B(2)O4 tetrahedra,  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, and  a cornercorner with one P(6)O4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded to one O(15), one O(22), one O(31), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second B site, B(2) is bonded to one O(16), one O(21), one O(32), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third B site, B(3) is bonded to one O(13), one O(24), one O(29), and one O(5) atom to form BO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth B site, B(4) is bonded to one O(14), one O(23), one O(30), and one O(6) atom to form BO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(25), one O(35), one O(7), and one O(9) 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 B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-49°. In the second P site, P(2) is bonded to one O(10), one O(26), one O(36), and one O(8) 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 B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-50°. In the third P site, P(3) is bonded to one O(11), one O(27), one O(33), and one O(5) 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 B(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the fourth P site, P(4) is bonded to one O(12), one O(28), one O(34), and one O(6) 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 B(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the fifth P site, P(5) is bonded to one O(1), one O(20), one O(21), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one B(2)O4 tetrahedra, and  a cornercorner with one B(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the sixth P site, P(6) is bonded to one O(19), one O(2), one O(22), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the seventh P site, P(7) is bonded to one O(18), one O(23), one O(3), and one O(31) 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 B(1)O4 tetrahedra, and  a cornercorner with one B(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the eighth P site, P(8) is bonded to one O(17), one O(24), one O(32), and one O(4) 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 B(2)O4 tetrahedra, and  a cornercorner with one B(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(15) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(16) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(14) atom. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Co(2), and one P(5) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(4), one Co(4), and one P(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Co(3), and one P(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Co(1), and one P(8) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(4), one B(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one B(4), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one B(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Co(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Co(4), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(3), one Ba(4), one Co(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), one Co(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Co(3), one B(3), and one H(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Co(1), one B(4), and one H(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Co(2), one B(1), and one H(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Co(4), one B(2), and one H(2) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(4), one Co(3), and one P(8) atom. In the eighteenth O site, O(18) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Co(1), and one P(7) atom. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Co(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(4), one Co(4), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one B(2) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one B(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one B(4) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one B(3) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Ba(1), one Co(3), and one P(1) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Ba(2), one Co(1), and one P(2) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Ba(3), one Co(2), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Ba(4), one Co(4), and one P(4) atom. In the twenty-ninth O site, O(29) is bonded in a 2-coordinate geometry to one Ba(3), one B(3), and one P(5) atom. In the thirtieth O site, O(30) is bonded in a 2-coordinate geometry to one Ba(4), one B(4), and one P(6) atom. In the thirty-first O site, O(31) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one P(7) atom. In the thirty-second O site, O(32) is bonded in a 2-coordinate geometry to one Ba(2), one B(2), and one P(8) atom. In the thirty-third O site, O(33) is bonded in a 3-coordinate geometry to one Ba(1), one Co(4), and one P(3) atom. In the thirty-fourth O site, O(34) is bonded in a 3-coordinate geometry to one Ba(2), one Co(2), and one P(4) atom. In the thirty-fifth O site, O(35) is bonded in a 3-coordinate geometry to one Ba(3), one Co(1), and one P(1) atom. In the thirty-sixth O site, O(36) is bonded in a 3-coordinate geometry to one Ba(4), one Co(3), and one P(2) atom. is represented by the CIF card [CIF]
data_BaCoBP2HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.373
_cell_length_b   8.123
_cell_length_c   8.387
_cell_angle_alpha   88.489
_cell_angle_beta   79.410
_cell_angle_gamma   87.089
_symmetry_Int_Tables_number   1
_cell_volume   359.287
_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
  B  B0  1  0.887  0.744  0.548  1.0
  B  B1  1  0.113  0.256  0.452  1.0
  Ba  Ba2  1  0.277  0.690  0.885  1.0
  Ba  Ba3  1  0.723  0.310  0.115  1.0
  Co  Co4  1  0.273  0.200  0.803  1.0
  Co  Co5  1  0.727  0.799  0.197  1.0
  H  H6  1  0.732  0.947  0.453  1.0
  H  H7  1  0.267  0.053  0.547  1.0
  O  O8  1  0.448  0.621  0.195  1.0
  O  O9  1  0.553  0.379  0.805  1.0
  O  O10  1  0.041  0.137  0.340  1.0
  O  O11  1  0.959  0.863  0.660  1.0
  O  O12  1  0.756  0.796  0.945  1.0
  O  O13  1  0.245  0.204  0.055  1.0
  O  O14  1  0.272  0.173  0.558  1.0
  O  O15  1  0.728  0.828  0.442  1.0
  O  O16  1  0.018  0.428  0.795  1.0
  O  O17  1  0.982  0.572  0.205  1.0
  O  O18  1  0.131  0.674  0.458  1.0
  O  O19  1  0.869  0.326  0.542  1.0
  O  O20  1  0.510  0.983  0.779  1.0
  O  O21  1  0.490  0.017  0.221  1.0
  O  O22  1  0.267  0.387  0.359  1.0
  O  O23  1  0.733  0.613  0.640  1.0
  O  O24  1  0.087  0.913  0.138  1.0
  O  O25  1  0.912  0.087  0.862  1.0
  P  P26  1  0.776  0.940  0.817  1.0
  P  P27  1  0.224  0.059  0.183  1.0
  P  P28  1  0.199  0.569  0.302  1.0
  P  P29  1  0.801  0.432  0.698  1.0
[/CIF]
.
The compound described by BaCoBP2HO9 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(17), one O(20), one O(25), one O(3), one O(31), one O(33), one O(8), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(10), one O(18), one O(19), one O(2), one O(26), one O(32), one O(34), one O(4), one O(7), and one O(9) atom. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(12), one O(18), one O(19), one O(27), one O(29), one O(3), one O(35), and one O(6) atom. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(11), one O(12), one O(17), one O(2), one O(20), one O(28), one O(30), one O(36), one O(4), and one O(5) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(14), one O(18), one O(26), one O(35), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one B(4)O4 tetrahedra,  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, and  a cornercorner with one P(8)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(15), one O(19), one O(27), one O(34), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  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(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(17), one O(25), one O(3), and one O(36) atom to form CoO6 octahedra that share  a cornercorner with one B(3)O4 tetrahedra,  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(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(16), one O(2), one O(20), one O(28), and one O(33) atom to form CoO6 octahedra that share  a cornercorner with one B(2)O4 tetrahedra,  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, and  a cornercorner with one P(6)O4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded to one O(15), one O(22), one O(31), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second B site, B(2) is bonded to one O(16), one O(21), one O(32), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third B site, B(3) is bonded to one O(13), one O(24), one O(29), and one O(5) atom to form BO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth B site, B(4) is bonded to one O(14), one O(23), one O(30), and one O(6) atom to form BO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(25), one O(35), one O(7), and one O(9) 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 B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-49°. In the second P site, P(2) is bonded to one O(10), one O(26), one O(36), and one O(8) 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 B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-50°. In the third P site, P(3) is bonded to one O(11), one O(27), one O(33), and one O(5) 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 B(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the fourth P site, P(4) is bonded to one O(12), one O(28), one O(34), and one O(6) 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 B(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the fifth P site, P(5) is bonded to one O(1), one O(20), one O(21), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one B(2)O4 tetrahedra, and  a cornercorner with one B(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the sixth P site, P(6) is bonded to one O(19), one O(2), one O(22), and one O(30) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the seventh P site, P(7) is bonded to one O(18), one O(23), one O(3), and one O(31) 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 B(1)O4 tetrahedra, and  a cornercorner with one B(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the eighth P site, P(8) is bonded to one O(17), one O(24), one O(32), and one O(4) 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 B(2)O4 tetrahedra, and  a cornercorner with one B(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(15) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(16) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(14) atom. There are thirty-six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Co(2), and one P(5) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(4), one Co(4), and one P(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Co(3), and one P(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Co(1), and one P(8) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(4), one B(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one B(4), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one B(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Co(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Co(4), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(3), one Ba(4), one Co(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), one Co(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Co(3), one B(3), and one H(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Co(1), one B(4), and one H(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Co(2), one B(1), and one H(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Co(4), one B(2), and one H(2) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(4), one Co(3), and one P(8) atom. In the eighteenth O site, O(18) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Co(1), and one P(7) atom. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to one Ba(2), one Ba(3), one Co(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(4), one Co(4), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one B(2) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one B(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one B(4) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one B(3) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Ba(1), one Co(3), and one P(1) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Ba(2), one Co(1), and one P(2) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Ba(3), one Co(2), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Ba(4), one Co(4), and one P(4) atom. In the twenty-ninth O site, O(29) is bonded in a 2-coordinate geometry to one Ba(3), one B(3), and one P(5) atom. In the thirtieth O site, O(30) is bonded in a 2-coordinate geometry to one Ba(4), one B(4), and one P(6) atom. In the thirty-first O site, O(31) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one P(7) atom. In the thirty-second O site, O(32) is bonded in a 2-coordinate geometry to one Ba(2), one B(2), and one P(8) atom. In the thirty-third O site, O(33) is bonded in a 3-coordinate geometry to one Ba(1), one Co(4), and one P(3) atom. In the thirty-fourth O site, O(34) is bonded in a 3-coordinate geometry to one Ba(2), one Co(2), and one P(4) atom. In the thirty-fifth O site, O(35) is bonded in a 3-coordinate geometry to one Ba(3), one Co(1), and one P(1) atom. In the thirty-sixth O site, O(36) is bonded in a 3-coordinate geometry to one Ba(4), one Co(3), and one P(2) atom. is represented by the CIF card [CIF]
data_BaCoBP2HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.373
_cell_length_b   8.123
_cell_length_c   8.387
_cell_angle_alpha   88.489
_cell_angle_beta   79.410
_cell_angle_gamma   87.089
_symmetry_Int_Tables_number   1
_cell_volume   359.287
_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
  B  B0  1  0.887  0.744  0.548  1.0
  B  B1  1  0.113  0.256  0.452  1.0
  Ba  Ba2  1  0.277  0.690  0.885  1.0
  Ba  Ba3  1  0.723  0.310  0.115  1.0
  Co  Co4  1  0.273  0.200  0.803  1.0
  Co  Co5  1  0.727  0.799  0.197  1.0
  H  H6  1  0.732  0.947  0.453  1.0
  H  H7  1  0.267  0.053  0.547  1.0
  O  O8  1  0.448  0.621  0.195  1.0
  O  O9  1  0.553  0.379  0.805  1.0
  O  O10  1  0.041  0.137  0.340  1.0
  O  O11  1  0.959  0.863  0.660  1.0
  O  O12  1  0.756  0.796  0.945  1.0
  O  O13  1  0.245  0.204  0.055  1.0
  O  O14  1  0.272  0.173  0.558  1.0
  O  O15  1  0.728  0.828  0.442  1.0
  O  O16  1  0.018  0.428  0.795  1.0
  O  O17  1  0.982  0.572  0.205  1.0
  O  O18  1  0.131  0.674  0.458  1.0
  O  O19  1  0.869  0.326  0.542  1.0
  O  O20  1  0.510  0.983  0.779  1.0
  O  O21  1  0.490  0.017  0.221  1.0
  O  O22  1  0.267  0.387  0.359  1.0
  O  O23  1  0.733  0.613  0.640  1.0
  O  O24  1  0.087  0.913  0.138  1.0
  O  O25  1  0.912  0.087  0.862  1.0
  P  P26  1  0.776  0.940  0.817  1.0
  P  P27  1  0.224  0.059  0.183  1.0
  P  P28  1  0.199  0.569  0.302  1.0
  P  P29  1  0.801  0.432  0.698  1.0
[/CIF]
.