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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531952.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_1531952
loop_
_publ_author_name
'Penin, N.'
'Touboul, M.'
'Seguin, L.'
'Gerand, B.'
'Nowogrocki, G.'
_publ_section_title
;
 Crystal structure of a new form of Cs (B5 O6 (O H)4) * 2(H2 O) and
 thermal behavior of M (B5 O6 (O H)4) * 2(H2 O) (M = Cs, Rb, Tl)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              97
_journal_page_last               109
_journal_volume                  334
_journal_year                    2002
_chemical_formula_sum            'B5 Cs H8 O12'
_chemical_name_systematic        'Cs (B5 O6 (O H)4) (H2 O)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.16
_cell_length_b                   12.14
_cell_length_c                   11.86
_cell_volume                     1173.270
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Penin_JALCEU_2002_409.cif
_cod_data_source_block           H8B5Cs1O12
_cod_original_cell_volume        1173.27
_cod_original_formula_sum        'H8 B5 Cs1 O12'
_cod_database_code               1531952
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
H2 H+1 0.302 0.495 0.262 1 0.0
O6 O-2 0.2752 0.449 0.2936 1 0.0
O2 O-2 0.59 0.2112 0.6736 1 0.0
O4 O-2 0.283 0.4429 0.5188 1 0.0
O5 O-2 0.6383 0.1434 0.489 1 0.0
B3 B+3 0.5662 0.2141 0.5597 1 0.0
O3 O-2 0.3822 0.355 0.6849 1 0.0
B2 B+3 0.3781 0.3634 0.5705 1 0.0
O1 O-2 0.4652 0.2922 0.5058 1 0.0
H4 H+1 0.664 0.087 0.523 1 0.0
H3 H+1 0.28 0.433 0.45 1 0.0
H1 H+1 0.23 0.42 0.25 1 0.0
Cs1 Cs+1 0.5 0.2093 0.25 1 0.0
B1 B+3 0.5 0.2838 0.75 1 0.0
