#------------------------------------------------------------------------------
#$Date: 2016-03-21 03:50:56 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178447 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/68/4026816.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_4026816
loop_
_publ_author_name
'Fourquet, J L'
'Le Bail, A'
'Duroy, H'
'Moron, M C'
_publ_section_title
;
 (NH4)2FeF5 : crystal structures of its alpha and beta forms
;
_journal_name_full
;
European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              435
_journal_page_last               443
_journal_volume                  26
_journal_year                    1989
_chemical_formula_structural     '(N H4)2 (Fe F5)'
_chemical_formula_sum            'F5 Fe H8 N2'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.6223(5)
_cell_length_b                   13.4408(8)
_cell_length_c                   10.4167(6)
_cell_volume                     1067.19(11)
_cod_data_source_file            alpha-NH4-2-FeF5.cif
_cod_data_source_block           alpha-NH4-2-FeF5
_cod_original_cell_volume        1067.2
_cod_database_code               4026816
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
-x,y,-z+1/2
x+1/2,-y+1/2,-z
-x,-y,-z
x+1/2,y+1/2,-z+1/2
x,-y,z+1/2
-x+1/2,y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
N1 0.3550(9) 0.3822(4) 0.0785(6) 5.8(3)
N2 0. 0.6344(7) 0.25 5.5(4)
N3 0. 0.1650(7) 0.25 6.4(5)
Fe1 0.1521(2) 0.4039(2) 0.4062(2) 1.05(3)
F1 0. 0.4156(6) 0.25 2.0(2)
F2 0.2938(6) 0.4020(4) 0.5530(5) 3.0(2)
F3 0. 0.5 0. 3.7(3)
F4 0.2145(6) 0.0106(4) 0.3380(6) 2.5(2)
F5 0.2125(9) 0.1900(4) 0.8238(6) 4.1(2)
F6 0.9951(6) 0.3036(4) 0.4745(6) 1.9(2)
