#------------------------------------------------------------------------------
#$Date: 2016-02-21 11:56:54 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176809 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/01/2310111.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310111
loop_
_publ_author_name
'Krogh-Moe, J.'
_publ_section_title
;
 The Crystal Structure of Cesium Triborate, Cs2 O (B2 O3)3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              889
_journal_page_last               892
_journal_paper_doi               10.1107/S0365110X60002181
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'B6 Cs2 O10'
_chemical_name_systematic        'Cs2 O (B2 O3)3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.18
_cell_length_b                   8.48
_cell_length_c                   9.17
_cell_volume                     480.567
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            boron4-x_248.cif
_cod_data_source_block           B6Cs2O10
_cod_original_cell_volume        480.5667
_cod_database_code               2310111
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
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
O4 O-2 0.468 0.769 0.213 1 0.0
B1 B+3 0.769 0.871 0.033 1 0.0
B2 B+3 0.461 0.927 0.203 1 0.0
B3 B+3 0.589 0.646 0.138 1 0.0
O5 O-2 0.615 0.972 0.093 1 0.0
Cs1 Cs+1 0.981 0.262 0.13 1 0.0
O2 O-2 0.688 0.529 0.242 1 0.0
O1 O-2 0.421 0.565 0.056 1 0.0
O3 O-2 0.767 0.705 0.043 1 0.0
