#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/17/1531792.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_1531792
loop_
_publ_author_name
'Li Hongmei'
'Lin Jianhua'
'Ju Jing'
_publ_section_title
;
 Synthesis and crystal structure of layered beryllium polyborate H2 Be B4
 O8
;
_journal_name_full               'Wuji Huaxue Xuebao'
_journal_page_first              764
_journal_page_last               768
_journal_volume                  18
_journal_year                    2002
_chemical_formula_sum            'B4 Be H2 O8'
_chemical_name_systematic        'H2 (Be B4 O8)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.8797
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.7564
_cell_length_b                   4.2948
_cell_length_c                   7.1532
_cell_volume                     541.577
_citation_journal_id_ASTM        WHUXEO
_cod_data_source_file            LiHongmei_WHUXEO_2002_1766.cif
_cod_data_source_block           H2B4Be1O8
_cod_original_cell_volume        541.5766
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H2 B4 Be1 O8'
_cod_database_code               1531792
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
O7 O-2 0.8337 0.077 0.6504 1 0.0
O3 O-2 0.9501 0.7752 0.9126 1 0.0
O4 O-2 0.7655 0.0499 0.3472 1 0.0
B4 B+3 0.8732 0.736 0.957 1 0.0
B1 B+3 0.846 0.415 0.669 1 0.0
B2 B+3 0.7951 -0.095 0.511 1 0.0
B3 B+3 0.9788 0.668 0.752 1 0.0
O2 O-2 0.9271 0.476 0.6317 1 0.0
O6 O-2 0.794 0.5771 0.5138 1 0.0
O1 O-2 0.8324 0.5132 0.8528 1 0.0
Be1 Be+2 0.234 0.097 0.86 1 0.0
O8 O-2 0.0484 0.7158 0.7134 1 0.0
O5 O-2 0.8518 0.9038 0.0952 1 0.0
