The structure described by KBe2B3O7 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Be(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing BeO4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to two equivalent K(1), one Be(1), and one B(2) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Be(1) and one B(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent Be(1), and one B(2) atom. In the fourth 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. is represented by the CIF card [CIF]
data_KBe2B3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.932
_cell_length_b   6.932
_cell_length_c   6.655
_cell_angle_alpha   71.708
_cell_angle_beta   71.708
_cell_angle_gamma   81.646
_symmetry_Int_Tables_number   1
_cell_volume   287.877
_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  0.179  0.821  0.750  1.0
  K  K1  1  0.821  0.179  0.250  1.0
  Be  Be2  1  0.055  0.636  0.343  1.0
  Be  Be3  1  0.364  0.945  0.157  1.0
  Be  Be4  1  0.945  0.364  0.657  1.0
  Be  Be5  1  0.636  0.055  0.843  1.0
  B  B6  1  0.449  0.551  0.250  1.0
  B  B7  1  0.551  0.449  0.750  1.0
  B  B8  1  0.770  0.732  0.683  1.0
  B  B9  1  0.268  0.230  0.817  1.0
  B  B10  1  0.230  0.268  0.317  1.0
  B  B11  1  0.732  0.770  0.183  1.0
  O  O12  1  0.297  0.703  0.250  1.0
  O  O13  1  0.703  0.297  0.750  1.0
  O  O14  1  0.944  0.614  0.615  1.0
  O  O15  1  0.386  0.056  0.885  1.0
  O  O16  1  0.056  0.386  0.385  1.0
  O  O17  1  0.614  0.944  0.115  1.0
  O  O18  1  0.581  0.647  0.736  1.0
  O  O19  1  0.353  0.419  0.764  1.0
  O  O20  1  0.419  0.353  0.264  1.0
  O  O21  1  0.647  0.581  0.236  1.0
  O  O22  1  0.778  0.919  0.698  1.0
  O  O23  1  0.081  0.222  0.802  1.0
  O  O24  1  0.222  0.081  0.302  1.0
  O  O25  1  0.919  0.778  0.198  1.0
[/CIF]
.
The structure described by KBe2B3O7 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Be(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing BeO4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to two equivalent K(1), one Be(1), and one B(2) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Be(1) and one B(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent Be(1), and one B(2) atom. In the fourth 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. is represented by the CIF card [CIF]
data_KBe2B3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.932
_cell_length_b   6.932
_cell_length_c   6.655
_cell_angle_alpha   71.708
_cell_angle_beta   71.708
_cell_angle_gamma   81.646
_symmetry_Int_Tables_number   1
_cell_volume   287.877
_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  0.179  0.821  0.750  1.0
  K  K1  1  0.821  0.179  0.250  1.0
  Be  Be2  1  0.055  0.636  0.343  1.0
  Be  Be3  1  0.364  0.945  0.157  1.0
  Be  Be4  1  0.945  0.364  0.657  1.0
  Be  Be5  1  0.636  0.055  0.843  1.0
  B  B6  1  0.449  0.551  0.250  1.0
  B  B7  1  0.551  0.449  0.750  1.0
  B  B8  1  0.770  0.732  0.683  1.0
  B  B9  1  0.268  0.230  0.817  1.0
  B  B10  1  0.230  0.268  0.317  1.0
  B  B11  1  0.732  0.770  0.183  1.0
  O  O12  1  0.297  0.703  0.250  1.0
  O  O13  1  0.703  0.297  0.750  1.0
  O  O14  1  0.944  0.614  0.615  1.0
  O  O15  1  0.386  0.056  0.885  1.0
  O  O16  1  0.056  0.386  0.385  1.0
  O  O17  1  0.614  0.944  0.115  1.0
  O  O18  1  0.581  0.647  0.736  1.0
  O  O19  1  0.353  0.419  0.764  1.0
  O  O20  1  0.419  0.353  0.264  1.0
  O  O21  1  0.647  0.581  0.236  1.0
  O  O22  1  0.778  0.919  0.698  1.0
  O  O23  1  0.081  0.222  0.802  1.0
  O  O24  1  0.222  0.081  0.302  1.0
  O  O25  1  0.919  0.778  0.198  1.0
[/CIF]
.