data_K2AlB5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   12.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlB5O14
_chemical_formula_sum   'K4 Al2 B10 O28'
_cell_volume   637.16
_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
  K  K0  1  0.73  0.91  0.78  1.0
  K  K1  1  0.97  0.91  0.67  1.0
  K  K2  1  0.97  0.09  0.3  1.0
  K  K3  1  0.73  0.09  0.18  1.0
  Al  Al4  1  0.85  0.89  0.72  1.0
  Al  Al5  1  0.85  0.11  0.24  1.0
  B  B6  1  0.14  0.3  0.78  1.0
  B  B7  1  0.56  0.3  0.66  1.0
  B  B8  1  0.56  0.7  0.3  1.0
  B  B9  1  0.14  0.7  0.18  1.0
  B  B10  1  0.11  0.0  0.48  1.0
  B  B11  1  0.58  0.0  0.0  1.0
  B  B12  1  0.03  0.76  0.04  1.0
  B  B13  1  0.66  0.76  0.41  1.0
  B  B14  1  0.66  0.24  0.56  1.0
  B  B15  1  0.03  0.24  0.92  1.0
  O  O16  1  0.85  0.84  0.24  1.0
  O  O17  1  0.85  0.16  0.72  1.0
  O  O18  1  0.26  0.94  0.76  1.0
  O  O19  1  0.43  0.94  0.69  1.0
  O  O20  1  0.43  0.06  0.28  1.0
  O  O21  1  0.26  0.06  0.21  1.0
  O  O22  1  0.75  0.0  0.48  1.0
  O  O23  1  0.95  0.0  0.0  1.0
  O  O24  1  0.82  0.84  0.29  1.0
  O  O25  1  0.88  0.84  0.16  1.0
  O  O26  1  0.88  0.16  0.81  1.0
  O  O27  1  0.82  0.16  0.68  1.0
  O  O28  1  0.26  0.58  0.62  1.0
  O  O29  1  0.43  0.58  0.83  1.0
  O  O30  1  0.43  0.42  0.14  1.0
  O  O31  1  0.26  0.42  0.35  1.0
  O  O32  1  0.95  0.42  0.02  1.0
  O  O33  1  0.75  0.42  0.43  1.0
  O  O34  1  0.75  0.58  0.53  1.0
  O  O35  1  0.95  0.58  0.95  1.0
  O  O36  1  0.11  0.1  0.85  1.0
  O  O37  1  0.59  0.1  0.6  1.0
  O  O38  1  0.59  0.9  0.36  1.0
  O  O39  1  0.11  0.9  0.12  1.0
  O  O40  1  0.46  0.18  0.17  1.0
  O  O41  1  0.24  0.18  0.31  1.0
  O  O42  1  0.24  0.82  0.65  1.0
  O  O43  1  0.46  0.82  0.79  1.0

data_K2AlB5O14
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   12.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlB5O14
_chemical_formula_sum   'K4 Al2 B10 O28'
_cell_volume   637.16
_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
  K  K0  1  0.73  0.09  0.18  1.0
  K  K1  1  0.73  0.91  0.78  1.0
  K  K2  1  0.97  0.09  0.3  1.0
  K  K3  1  0.97  0.91  0.67  1.0
  Al  Al4  1  0.85  0.11  0.24  1.0
  Al  Al5  1  0.85  0.89  0.72  1.0
  B  B6  1  0.03  0.24  0.92  1.0
  B  B7  1  0.03  0.76  0.04  1.0
  B  B8  1  0.11  0.0  0.48  1.0
  B  B9  1  0.14  0.3  0.78  1.0
  B  B10  1  0.14  0.7  0.18  1.0
  B  B11  1  0.56  0.3  0.66  1.0
  B  B12  1  0.56  0.7  0.3  1.0
  B  B13  1  0.58  0.0  0.0  1.0
  B  B14  1  0.66  0.24  0.56  1.0
  B  B15  1  0.66  0.76  0.41  1.0
  O  O16  1  0.11  0.1  0.85  1.0
  O  O17  1  0.11  0.9  0.12  1.0
  O  O18  1  0.24  0.18  0.31  1.0
  O  O19  1  0.24  0.82  0.65  1.0
  O  O20  1  0.26  0.06  0.21  1.0
  O  O21  1  0.26  0.94  0.76  1.0
  O  O22  1  0.26  0.42  0.35  1.0
  O  O23  1  0.26  0.58  0.62  1.0
  O  O24  1  0.43  0.42  0.14  1.0
  O  O25  1  0.43  0.58  0.83  1.0
  O  O26  1  0.43  0.06  0.28  1.0
  O  O27  1  0.43  0.94  0.69  1.0
  O  O28  1  0.46  0.18  0.17  1.0
  O  O29  1  0.46  0.82  0.79  1.0
  O  O30  1  0.59  0.1  0.6  1.0
  O  O31  1  0.59  0.9  0.36  1.0
  O  O32  1  0.75  0.42  0.43  1.0
  O  O33  1  0.75  0.58  0.53  1.0
  O  O34  1  0.75  0.0  0.48  1.0
  O  O35  1  0.82  0.16  0.68  1.0
  O  O36  1  0.82  0.84  0.29  1.0
  O  O37  1  0.85  0.16  0.72  1.0
  O  O38  1  0.85  0.84  0.24  1.0
  O  O39  1  0.88  0.16  0.81  1.0
  O  O40  1  0.88  0.84  0.16  1.0
  O  O41  1  0.95  0.0  0.0  1.0
  O  O42  1  0.95  0.42  0.02  1.0
  O  O43  1  0.95  0.58  0.95  1.0

K K K K Al Al B B B B B B B B B B O O O O O O O O O O O O O O O O O O O O O O O O O O O O
K2AlB5O14 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one Al(1), one B(6), one O(11), one O(2), one O(28), and one O(4) atom. The K(1)-Al(1) bond length is 1.14 Å. The K(1)-B(6) bond length is 3.07 Å. The K(1)-O(11) bond length is 2.04 Å. The K(1)-O(2) bond length is 2.05 Å. The K(1)-O(28) bond length is 1.99 Å. The K(1)-O(4) bond length is 2.43 Å. In the second K site, K(2) is bonded in a 2-coordinate geometry to one Al(1), one B(5), one O(19), one O(2), one O(27), and one O(3) atom. The K(2)-Al(1) bond length is 1.13 Å. The K(2)-B(5) bond length is 2.66 Å. The K(2)-O(19) bond length is 3.18 Å. The K(2)-O(2) bond length is 2.12 Å. The K(2)-O(27) bond length is 2.04 Å. The K(2)-O(3) bond length is 2.41 Å. In the third K site, K(3) is bonded in a 2-coordinate geometry to one Al(2), one B(5), one O(1), one O(18), one O(26), one O(6), and one O(9) atom. The K(3)-Al(2) bond length is 1.14 Å. The K(3)-B(5) bond length is 2.68 Å. The K(3)-O(1) bond length is 2.05 Å. The K(3)-O(18) bond length is 3.28 Å. The K(3)-O(26) bond length is 1.99 Å. The K(3)-O(6) bond length is 2.43 Å. The K(3)-O(9) bond length is 2.03 Å. In the fourth K site, K(4) is bonded in a 2-coordinate geometry to one Al(2), one B(6), one O(1), one O(10), one O(25), and one O(5) atom. The K(4)-Al(2) bond length is 1.13 Å. The K(4)-B(6) bond length is 2.66 Å. The K(4)-O(1) bond length is 2.12 Å. The K(4)-O(10) bond length is 2.12 Å. The K(4)-O(25) bond length is 2.04 Å. The K(4)-O(5) bond length is 2.41 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to one K(1), one K(2), one O(11), and one O(2) atom. The Al(1)-O(11) bond length is 2.17 Å. The Al(1)-O(2) bond length is 1.87 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one K(3), one K(4), one O(1), and one O(10) atom. The Al(2)-O(1) bond length is 1.87 Å. The Al(2)-O(10) bond length is 2.19 Å. There are ten inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one O(11) and one O(21) atom. The B(1)-O(11) bond length is 2.03 Å. The B(1)-O(21) bond length is 1.63 Å. In the second B site, B(2) is bonded in a 3-coordinate geometry to one B(9), one O(12), and one O(22) atom. The B(2)-B(9) bond length is 1.62 Å. The B(2)-O(12) bond length is 2.09 Å. The B(2)-O(22) bond length is 1.65 Å. In the third B site, B(3) is bonded in a 3-coordinate geometry to one B(8), one O(23), and one O(9) atom. The B(3)-B(8) bond length is 1.60 Å. The B(3)-O(23) bond length is 1.63 Å. The B(3)-O(9) bond length is 2.02 Å. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one O(10) and one O(24) atom. The B(4)-O(10) bond length is 2.11 Å. The B(4)-O(24) bond length is 1.65 Å. In the fifth B site, B(5) is bonded in a distorted bent 120 degrees geometry to one K(2) and one K(3) atom. In the sixth B site, B(6) is bonded in a 2-coordinate geometry to one K(1) and one K(4) atom. In the seventh B site, B(7) is bonded in a 4-coordinate geometry to one O(10), one O(20), one O(24), and one O(8) atom. The B(7)-O(10) bond length is 1.94 Å. The B(7)-O(20) bond length is 1.83 Å. The B(7)-O(24) bond length is 1.49 Å. The B(7)-O(8) bond length is 1.87 Å. In the eighth B site, B(8) is bonded in a distorted single-bond geometry to one B(3), one O(19), one O(23), one O(7), and one O(9) atom. The B(8)-O(19) bond length is 2.18 Å. The B(8)-O(23) bond length is 1.28 Å. The B(8)-O(7) bond length is 2.00 Å. The B(8)-O(9) bond length is 1.91 Å. In the ninth B site, B(9) is bonded in a distorted single-bond geometry to one B(2), one O(18), one O(22), and one O(7) atom. The B(9)-O(18) bond length is 2.15 Å. The B(9)-O(22) bond length is 1.24 Å. The B(9)-O(7) bond length is 2.04 Å. In the tenth B site, B(10) is bonded in a 4-coordinate geometry to one O(11), one O(17), one O(21), and one O(8) atom. The B(10)-O(11) bond length is 1.91 Å. The B(10)-O(17) bond length is 1.87 Å. The B(10)-O(21) bond length is 1.52 Å. The B(10)-O(8) bond length is 2.00 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(3), one K(4), one Al(2), one O(10), and one O(9) atom. The O(1)-O(10) bond length is 1.09 Å. The O(1)-O(9) bond length is 0.66 Å. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Al(1), one O(11), and one O(12) atom. The O(2)-O(11) bond length is 1.09 Å. The O(2)-O(12) bond length is 0.66 Å. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one O(21), one O(27), one O(28), and one O(4) atom. The O(3)-O(21) bond length is 1.94 Å. The O(3)-O(27) bond length is 1.63 Å. The O(3)-O(28) bond length is 1.70 Å. The O(3)-O(4) bond length is 1.48 Å. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one O(22), one O(27), one O(28), and one O(3) atom. The O(4)-O(22) bond length is 1.88 Å. The O(4)-O(27) bond length is 1.64 Å. The O(4)-O(28) bond length is 1.63 Å. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(4), one O(23), one O(25), one O(26), and one O(6) atom. The O(5)-O(23) bond length is 1.94 Å. The O(5)-O(25) bond length is 1.63 Å. The O(5)-O(26) bond length is 1.70 Å. The O(5)-O(6) bond length is 1.48 Å. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one K(3), one O(24), one O(25), one O(26), and one O(5) atom. The O(6)-O(24) bond length is 1.88 Å. The O(6)-O(25) bond length is 1.64 Å. The O(6)-O(26) bond length is 1.63 Å. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one B(8) and one B(9) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one B(10) and one B(7) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one K(3), one B(3), one B(8), and one O(1) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one K(4), one Al(2), one B(4), one B(7), one O(1), and one O(24) atom. The O(10)-O(24) bond length is 1.72 Å. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one K(1), one Al(1), one B(1), one B(10), one O(2), and one O(21) atom. The O(11)-O(21) bond length is 1.76 Å. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one B(2) and one O(2) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one O(27) atom. The O(13)-O(27) bond length is 1.72 Å. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one O(28) atom. The O(14)-O(28) bond length is 1.71 Å. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one O(25) atom. The O(15)-O(25) bond length is 1.72 Å. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one O(26) atom. The O(16)-O(26) bond length is 1.71 Å. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one B(10) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one K(3), one B(9), and one O(19) atom. The O(18)-O(19) bond length is 1.78 Å. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one K(2), one B(8), and one O(18) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one B(7) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one B(1), one B(10), one O(11), and one O(3) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one B(2), one B(9), and one O(4) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one B(3), one B(8), and one O(5) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one B(4), one B(7), one O(10), and one O(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted single-bond geometry to one K(4), one O(15), one O(5), and one O(6) atom. In the twenty-sixth O site, O(26) is bonded in a distorted single-bond geometry to one K(3), one O(16), one O(5), and one O(6) atom. In the twenty-seventh O site, O(27) is bonded in a distorted single-bond geometry to one K(2), one O(13), one O(3), and one O(4) atom. In the twenty-eighth O site, O(28) is bonded in a distorted single-bond geometry to one K(1), one O(14), one O(3), and one O(4) atom.