#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008916.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_1008916
loop_
_publ_author_name
'le Fur, Y'
'Aleonard, S'
'Gorius, M F'
'Roux, M T'
_publ_section_title
;
Structure cristalline de la phase $-beta-K Yb2 F7
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              29
_journal_page_last               33
_journal_paper_doi               10.1016/0022-4596(80)90459-4
_journal_volume                  35
_journal_year                    1980
_chemical_formula_structural     'K Yb2 F7'
_chemical_formula_sum            'F7 K Yb2'
_chemical_name_systematic        'Potassium diytterbium fluoride - $-beta'
_space_group_IT_number           3
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      3
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.94
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.528(1)
_cell_length_b                   4.217(1)
_cell_length_c                   6.435(1)
_cell_volume                     159.3
_refine_ls_R_factor_all          0.04
_cod_database_code               1008916
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-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
K1 K1+ 1 c 0.5 0.5 0. 1. 0 d
Yb1 Yb3+ 2 e 0.1922(1) 0. 0.3088(1) 1. 0 d
F1 F1- 2 e 0.5430(14) 0. 0.3290(18) 1. 0 d
F2 F1- 2 e 0.1674(16) 0. 0.9546(18) 1. 0 d
F3 F1- 2 e 0.2112(31) 0.5 0.2932(36) 1. 0 d
F4 F1- 1 b 0. 0.8928(64) 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Yb3+ 3.000
F1- -1.000
