#------------------------------------------------------------------------------
#$Date: 2025-08-18 16:14:33 +0100 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532888.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_1532888
loop_
_publ_author_name
'Migdal-Mikuli, A.'
'Holderna-Natkaniec, K.'
'Mikuli, E.'
'Natkaniec, I.'
'Hetmanczyk, L.'
'Lasocha, W.'
_publ_section_title
;
 Phase transitions, structural changes and molecular motions in (Zn (N
 H3)4) (B F4)2 studied by neutron scattering, X-ray powder diffraction and
 nuclear magnetic resonance
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              357
_journal_page_last               364
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'B2 F8 H12 N4 Zn'
_chemical_name_systematic        '(Zn (N H3)4) (B F4)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.523
_cell_length_b                   7.892
_cell_length_c                   13.354
_cell_volume                     1109.017
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Migdal-Mikuli_JSSCBI_2003_141.cif
_cod_data_source_block           H12B2F8N4Zn1
_cod_original_cell_volume        1109.016
_cod_original_formula_sum        'H12 B2 F8 N4 Zn1'
_cod_database_code               1532888
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
F6 F-1 0.527 0.39 0.856 1 0.0 0
B2 B+3 0.488 0.25 0.806 1 0.0 0
F4 F-1 0.362 0.25 0.8 1 0.0 0
N3 N-3 0.797 0.042 0.33 1 0.0 3
N2 N-3 0.828 0.25 0.542 1 0.0 3
B1 B+3 0.33 0.25 0.414 1 0.0 0
N1 N-3 0.553 0.25 0.424 1 0.0 3
F3 F-1 0.377 0.099 0.363 1 0.0 0
F1 F-1 0.375 0.25 0.514 1 0.0 0
Zn1 Zn+2 0.744 0.25 0.4067 1 0.0 0
F5 F-1 0.541 0.25 0.71 1 0.0 0
F2 F-1 0.197 0.25 0.414 1 0.0 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168302560