#------------------------------------------------------------------------------
#$Date: 2016-09-16 18:09:56 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/74/1527407.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_1527407
loop_
_publ_author_name
'Genty, M.'
'le Fur, Y.'
'Aleonard, S.'
_publ_section_title
;
 Nouveaux fluoroberyllates de structure langbeinite
;
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 
(72,1949-100,1977)
;
_journal_page_first              237
_journal_page_last               241
_journal_volume                  91
_journal_year                    1968
_chemical_formula_sum            'Be3 F12 H8 N2 Zn2'
_chemical_name_systematic        '(N H4)2 Zn2 (Be F4)3'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.036
_cell_length_b                   10.036
_cell_length_c                   10.036
_cell_volume                     1010.839
_citation_journal_id_ASTM        BUFCAE
_cod_data_source_file            Genty_BUFCAE_1968_1629.cif
_cod_data_source_block           H8Be3F12N2Zn2
_cod_original_formula_sum        'H8 Be3 F12 N2 Zn2'
_cod_database_code               1527407
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
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+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
_atom_site_attached_hydrogens
N2 N-3 0.286 0.286 0.286 1 0.0 4
Be1 Be+2 0.625 0.467 0.268 1 0.0 0
F3 F-1 0.572 0.315 0.252 1 0.0 0
N1 N-3 0.075 0.075 0.075 1 0.0 4
F4 F-1 0.516 0.546 0.19 1 0.0 0
F1 F-1 0.649 0.493 0.415 1 0.0 0
F2 F-1 0.752 0.489 0.19 1 0.0 0
Zn2 Zn+2 0.845 0.845 0.845 1 0.0 0
Zn1 Zn+2 0.585 0.585 0.585 1 0.0 0
