The material structure described by KVBP2HO9 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one O(12), one O(13), one O(18), one O(5), two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(11), one O(14), one O(17), one O(6), two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(13), one O(17), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(14), one O(18), one O(2), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(12), one O(15), one O(3), and one O(5) atom to form BO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second B site, B(2) is bonded to one O(11), one O(16), one O(4), and one O(6) atom to form BO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(17), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the second P site, P(2) is bonded to one O(14), one O(18), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(11), and one O(15) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-58°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2), one V(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one V(2), and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one B(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2), one B(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(2), one B(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent K(1), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent K(2), one V(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent K(1), one V(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent K(2), one V(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one K(2), one B(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one K(1), one B(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one K(1), one V(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one K(2), one V(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one B(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one B(2) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one K(2), one V(1), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one K(1), one V(2), and one P(2) atom. is represented by the CIF card [CIF]
data_KVBP2HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   8.228
_cell_length_c   8.492
_cell_angle_alpha   87.011
_cell_angle_beta   80.337
_cell_angle_gamma   86.359
_symmetry_Int_Tables_number   1
_cell_volume   360.316
_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  0.875  0.733  0.555  1.0
  B  B1  1  0.125  0.267  0.445  1.0
  H  H2  1  0.530  0.834  0.496  1.0
  H  H3  1  0.470  0.166  0.504  1.0
  K  K4  1  0.279  0.674  0.888  1.0
  K  K5  1  0.721  0.325  0.112  1.0
  O  O6  1  0.447  0.645  0.207  1.0
  O  O7  1  0.553  0.355  0.793  1.0
  O  O8  1  0.706  0.805  0.443  1.0
  O  O9  1  0.294  0.195  0.557  1.0
  O  O10  1  0.942  0.852  0.661  1.0
  O  O11  1  0.058  0.148  0.339  1.0
  O  O12  1  0.758  0.805  0.951  1.0
  O  O13  1  0.242  0.196  0.049  1.0
  O  O14  1  0.026  0.406  0.794  1.0
  O  O15  1  0.974  0.594  0.206  1.0
  O  O16  1  0.268  0.399  0.348  1.0
  O  O17  1  0.732  0.601  0.652  1.0
  O  O18  1  0.511  0.994  0.779  1.0
  O  O19  1  0.489  0.006  0.221  1.0
  O  O20  1  0.124  0.675  0.463  1.0
  O  O21  1  0.876  0.325  0.537  1.0
  O  O22  1  0.059  0.924  0.155  1.0
  O  O23  1  0.942  0.076  0.845  1.0
  P  P24  1  0.783  0.936  0.813  1.0
  P  P25  1  0.217  0.064  0.187  1.0
  P  P26  1  0.198  0.582  0.303  1.0
  P  P27  1  0.802  0.418  0.697  1.0
  V  V28  1  0.267  0.196  0.805  1.0
  V  V29  1  0.733  0.804  0.194  1.0
[/CIF]
.
The material structure described by KVBP2HO9 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one O(12), one O(13), one O(18), one O(5), two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(11), one O(14), one O(17), one O(6), two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(13), one O(17), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(14), one O(18), one O(2), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(12), one O(15), one O(3), and one O(5) atom to form BO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second B site, B(2) is bonded to one O(11), one O(16), one O(4), and one O(6) atom to form BO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(17), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the second P site, P(2) is bonded to one O(14), one O(18), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(11), and one O(15) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-58°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2), one V(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one V(2), and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one B(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2), one B(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(2), one B(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent K(1), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent K(2), one V(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent K(1), one V(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent K(2), one V(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one K(2), one B(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one K(1), one B(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one K(1), one V(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one K(2), one V(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one B(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one B(2) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one K(2), one V(1), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one K(1), one V(2), and one P(2) atom. is represented by the CIF card [CIF]
data_KVBP2HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.246
_cell_length_b   8.228
_cell_length_c   8.492
_cell_angle_alpha   87.011
_cell_angle_beta   80.337
_cell_angle_gamma   86.359
_symmetry_Int_Tables_number   1
_cell_volume   360.316
_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  0.875  0.733  0.555  1.0
  B  B1  1  0.125  0.267  0.445  1.0
  H  H2  1  0.530  0.834  0.496  1.0
  H  H3  1  0.470  0.166  0.504  1.0
  K  K4  1  0.279  0.674  0.888  1.0
  K  K5  1  0.721  0.325  0.112  1.0
  O  O6  1  0.447  0.645  0.207  1.0
  O  O7  1  0.553  0.355  0.793  1.0
  O  O8  1  0.706  0.805  0.443  1.0
  O  O9  1  0.294  0.195  0.557  1.0
  O  O10  1  0.942  0.852  0.661  1.0
  O  O11  1  0.058  0.148  0.339  1.0
  O  O12  1  0.758  0.805  0.951  1.0
  O  O13  1  0.242  0.196  0.049  1.0
  O  O14  1  0.026  0.406  0.794  1.0
  O  O15  1  0.974  0.594  0.206  1.0
  O  O16  1  0.268  0.399  0.348  1.0
  O  O17  1  0.732  0.601  0.652  1.0
  O  O18  1  0.511  0.994  0.779  1.0
  O  O19  1  0.489  0.006  0.221  1.0
  O  O20  1  0.124  0.675  0.463  1.0
  O  O21  1  0.876  0.325  0.537  1.0
  O  O22  1  0.059  0.924  0.155  1.0
  O  O23  1  0.942  0.076  0.845  1.0
  P  P24  1  0.783  0.936  0.813  1.0
  P  P25  1  0.217  0.064  0.187  1.0
  P  P26  1  0.198  0.582  0.303  1.0
  P  P27  1  0.802  0.418  0.697  1.0
  V  V28  1  0.267  0.196  0.805  1.0
  V  V29  1  0.733  0.804  0.194  1.0
[/CIF]
.