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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/05/1530527.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1530527
loop_
_publ_author_name
'Ozols, J.'
_publ_section_title
;
 Crystal structure of potassium triborate K3 (B3 O4 (O H)4 ) * (H2 O)2 = 3
 K B O2 (H2 O)1.33
;
_journal_name_full
'Latvijas PSR Zinatnu Akademijas Vestis, Khimijas Serija'
_journal_page_first              356
_journal_page_last               357
_journal_volume                  1977
_journal_year                    1977
_chemical_formula_sum            'B3 H8 K3 O10'
_chemical_name_systematic        'K3 (B3 O4 (O H)4) (H2 O)2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.81
_cell_length_b                   13.71
_cell_length_c                   8.8
_cell_volume                     942.261
_citation_journal_id_ASTM        LZAKAM
_cod_data_source_file            Ozols_LZAKAM_1977_276.cif
_cod_data_source_block           H8B3K3O10
_cod_original_cell_volume        942.2609
_cod_original_formula_sum        'H8 B3 K3 O10'
_cod_database_code               1530527
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
B2 B+3 0.483 0 0 1 0.0
O5 O-2 0.557 -0.092 0.017 1 0.0
K2 K+1 0.441 0.208 0.262 1 0.0
O8 O-2 0.175 0.15 0.047 1 0.0
O6 O-2 0.31 0 -0.045 1 0.0
K3 K+1 0.464 -0.216 0.265 1 0.0
B3 B+3 0.24 0.1 -0.068 1 0.0
B1 B+3 0.742 0.093 0.064 1 0.0
O3 O-2 0.832 0.005 0.033 1 0.0
O7 O-2 0.233 0.125 -0.216 1 0.0
O1 O-2 0.82 0.175 -0.03 1 0.0
K1 K+1 0.068 -0.006 0.252 1 0.0
O10 O-2 0.838 -0.173 -0.053 1 0.0
O4 O-2 0.561 0.085 0.025 1 0.0
O2 O-2 0.766 0.127 0.224 1 0.0
O9 O-2 0.168 -0.161 0.071 1 0.0
