The material described by KB3O5 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the third B site, B(3) is bonded to one O(2), one O(5), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing BO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one B(1) and two equivalent B(3) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent K(1), one B(1), and one B(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(2), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KB3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.566
_cell_length_b   6.566
_cell_length_c   9.191
_cell_angle_alpha   79.595
_cell_angle_beta   79.595
_cell_angle_gamma   84.742
_symmetry_Int_Tables_number   1
_cell_volume   382.618
_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
  K  K0  1  0.260  0.584  0.941  1.0
  K  K1  1  0.416  0.740  0.559  1.0
  K  K2  1  0.740  0.416  0.059  1.0
  K  K3  1  0.584  0.260  0.441  1.0
  B  B4  1  0.793  0.790  0.740  1.0
  B  B5  1  0.210  0.207  0.760  1.0
  B  B6  1  0.207  0.210  0.260  1.0
  B  B7  1  0.790  0.793  0.240  1.0
  B  B8  1  0.916  0.431  0.682  1.0
  B  B9  1  0.569  0.084  0.818  1.0
  B  B10  1  0.084  0.569  0.318  1.0
  B  B11  1  0.431  0.916  0.182  1.0
  B  B12  1  0.035  0.118  0.564  1.0
  B  B13  1  0.882  0.965  0.936  1.0
  B  B14  1  0.965  0.882  0.436  1.0
  B  B15  1  0.118  0.035  0.064  1.0
  O  O16  1  0.932  0.905  0.601  1.0
  O  O17  1  0.095  0.068  0.899  1.0
  O  O18  1  0.068  0.095  0.399  1.0
  O  O19  1  0.905  0.932  0.101  1.0
  O  O20  1  0.886  0.782  0.873  1.0
  O  O21  1  0.218  0.114  0.627  1.0
  O  O22  1  0.114  0.218  0.127  1.0
  O  O23  1  0.782  0.886  0.373  1.0
  O  O24  1  0.093  0.412  0.747  1.0
  O  O25  1  0.588  0.907  0.753  1.0
  O  O26  1  0.907  0.588  0.253  1.0
  O  O27  1  0.412  0.093  0.247  1.0
  O  O28  1  0.764  0.588  0.705  1.0
  O  O29  1  0.412  0.236  0.795  1.0
  O  O30  1  0.236  0.412  0.295  1.0
  O  O31  1  0.588  0.764  0.205  1.0
  O  O32  1  0.885  0.289  0.595  1.0
  O  O33  1  0.711  0.115  0.905  1.0
  O  O34  1  0.115  0.711  0.405  1.0
  O  O35  1  0.289  0.885  0.095  1.0
[/CIF]
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The material described by KB3O5 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the third B site, B(3) is bonded to one O(2), one O(5), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing BO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one B(1) and two equivalent B(3) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent K(1), one B(1), and one B(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one B(2), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KB3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.566
_cell_length_b   6.566
_cell_length_c   9.191
_cell_angle_alpha   79.595
_cell_angle_beta   79.595
_cell_angle_gamma   84.742
_symmetry_Int_Tables_number   1
_cell_volume   382.618
_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
  K  K0  1  0.260  0.584  0.941  1.0
  K  K1  1  0.416  0.740  0.559  1.0
  K  K2  1  0.740  0.416  0.059  1.0
  K  K3  1  0.584  0.260  0.441  1.0
  B  B4  1  0.793  0.790  0.740  1.0
  B  B5  1  0.210  0.207  0.760  1.0
  B  B6  1  0.207  0.210  0.260  1.0
  B  B7  1  0.790  0.793  0.240  1.0
  B  B8  1  0.916  0.431  0.682  1.0
  B  B9  1  0.569  0.084  0.818  1.0
  B  B10  1  0.084  0.569  0.318  1.0
  B  B11  1  0.431  0.916  0.182  1.0
  B  B12  1  0.035  0.118  0.564  1.0
  B  B13  1  0.882  0.965  0.936  1.0
  B  B14  1  0.965  0.882  0.436  1.0
  B  B15  1  0.118  0.035  0.064  1.0
  O  O16  1  0.932  0.905  0.601  1.0
  O  O17  1  0.095  0.068  0.899  1.0
  O  O18  1  0.068  0.095  0.399  1.0
  O  O19  1  0.905  0.932  0.101  1.0
  O  O20  1  0.886  0.782  0.873  1.0
  O  O21  1  0.218  0.114  0.627  1.0
  O  O22  1  0.114  0.218  0.127  1.0
  O  O23  1  0.782  0.886  0.373  1.0
  O  O24  1  0.093  0.412  0.747  1.0
  O  O25  1  0.588  0.907  0.753  1.0
  O  O26  1  0.907  0.588  0.253  1.0
  O  O27  1  0.412  0.093  0.247  1.0
  O  O28  1  0.764  0.588  0.705  1.0
  O  O29  1  0.412  0.236  0.795  1.0
  O  O30  1  0.236  0.412  0.295  1.0
  O  O31  1  0.588  0.764  0.205  1.0
  O  O32  1  0.885  0.289  0.595  1.0
  O  O33  1  0.711  0.115  0.905  1.0
  O  O34  1  0.115  0.711  0.405  1.0
  O  O35  1  0.289  0.885  0.095  1.0
[/CIF]
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