data_1010521
_chemical_name_systematic          'Potassium borate *'
_chemical_formula_structural       'K3 (B3 O6)'
_chemical_formula_sum              'B3 K3 O6'
_publ_section_title
;
The Crystal Structure of Potassium Metaborate K~3~ (B~3~ O~6~)
;
_publ_author_name                  'Zachariasen, W H'
_journal_name_full                 'Journal of Chemical Physics'
_journal_coden_ASTM                JCPSA6
_journal_volume                    5
_journal_year                      1937
_journal_page_first                919
_journal_page_last                 922
_cell_length_a                     7.76
_cell_length_b                     7.76
_cell_length_c                     7.76
_cell_angle_alpha                  110.6
_cell_angle_beta                   110.6
_cell_angle_gamma                  110.6
_cell_volume                       343.9
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.35(0)
_symmetry_space_group_name_H-M     'R -3 c R'
_symmetry_Int_Tables_number        167
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
  '1/2+y,1/2+x,1/2+z'
  '1/2+z,1/2+y,1/2+x'
  '1/2+x,1/2+z,1/2+y'
  '1/2-y,1/2-x,1/2-z'
  '1/2-z,1/2-y,1/2-x'
  '1/2-x,1/2-z,1/2-y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  B3+    3.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  K1    K1+    6 e 0.689(3) -0.189(3) 0.25 1.  0 d
  B1    B3+    6 e 0.361(6) 0.139(6) 0.25 1.  0 d
  O1    O2-    6 e 0.465(6) 0.035(6) 0.25 1.  0 d
  O2    O2-    6 e 0.146(6) 0.354(6) 0.25 1.  0 d