#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/02/1000216.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_1000216
loop_
_publ_author_name
'Renaudin, J'
'Calage, Y'
'Samouel, M'
'Kozak, A de'
'Leblanc, M'
'Ferey, G'
_publ_section_title
;
Complex copper II fluorides. II.- Crystal structure, magnetic
properties and Moessbauer study of the partly disordered ferrimagnet
BaCuFeF₇
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              74
_journal_page_last               87
_journal_volume                  22
_journal_year                    1985
_chemical_formula_structural     'Ba Cu Fe F7'
_chemical_formula_sum            'Ba Cu F7 Fe'
_chemical_name_systematic        'Barium copper iron fluoride'
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.53(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.695(2)
_cell_length_b                   9.932(2)
_cell_length_c                   5.654(1)
_cell_volume                     527.7
_exptl_crystal_density_meas      4.9(4)
_refine_ls_R_factor_all          0.0203
_cod_database_code               1000216
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ba1 Ba2+ 4 a 0. 0.3174(1) 0.25 1. 0 d
Fe1 Fe3+ 4 a 0.3103(4) 0.3938(4) 0.1176(7) 1. 0 d
Cu1 Cu2+ 4 a 0.6871(4) 0.6041(3) 0.8812(7) 1. 0 d
F1 F1- 4 a 0.4953(15) 0.3150(4) 0.2544(26) 1. 0 d
F2 F1- 4 a 0.1340(11) 0.4585(11) 0.0336(17) 1. 0 d
F3 F1- 4 a 0.8745(11) 0.5443(10) 0.0037(16) 1. 0 d
F4 F1- 4 a 0.2549(10) 0.2180(12) 0.2368(17) 1. 0 d
F5 F1- 4 a 0.7551(11) 0.7861(12) 0.7915(18) 1. 0 d
F6 F1- 4 a 0.3681(12) 0.5525(13) 0.0088(19) 1. 0 d
F7 F1- 4 a 0.6235(13) 0.4415(13) 0.0090(19) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Fe3+ 3.000
Cu2+ 2.000
F1- -1.000
