#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103649.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_8103649
loop_
_publ_author_name
'Divjakovic, V.'
'Edenharter, A.'
'Nowacki, W.'
'Ribar, B.'
_publ_section_title
;
 Die Kristallstruktur von Tetraaquo-Berylliumnitrat Be (O H2)4 (N O3)2
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              314
_journal_page_last               322
_journal_volume                  144
_journal_year                    1976
_chemical_formula_sum            'Be H8 N2 O10'
_chemical_name_systematic        'Be (O H2)4 (N O3)2'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.636
_cell_length_b                   11.636
_cell_length_c                   6.252
_cell_volume                     846.499
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Divjakovic_ZEKGAX_1976_1702.cif
_cod_data_source_block           H8Be1N2O10
_cod_original_cell_volume        846.4988
_cod_original_formula_sum        'H8 Be1 N2 O10'
_cod_database_code               8103649
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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
Be1 Be+2 0 0 0.5 1 0.0
O3 O-2 0.3907 0.0349 0.1045 1 0.0
H2 H+1 0.04 0.103 0.3 1 0.0
O1 O-2 0.3034 0.25 0.125 1 0.0
N1 N+5 0.1946 0.25 0.125 1 0.0
H1 H+1 0.371 0.11 0.04 1 0.0
O2 O-2 0.144 0.1574 0.1012 1 0.0
