#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/88/1008866.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_1008866
loop_
_publ_author_name
'Boireau, A'
'Gravereau, P'
'Dance, J M'
'Tressaud, A'
'Hagenmuller, P'
'Soubeyroux, J L'
'Welsch, M'
'Babel, D'
_publ_section_title
;
Structural and magnetic properties of several cobalt(II) weberites
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              27
_journal_page_last               38
_journal_paper_doi               10.1016/0025-5408(93)90005-X
_journal_volume                  28
_journal_year                    1993
_chemical_formula_structural     'Na2 Co Al F7'
_chemical_formula_sum            'Al Co F7 Na2'
_chemical_name_systematic        'Disodium cobalt aluminium fluoride'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.67(2)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.378(4)
_cell_length_b                   7.210(3)
_cell_length_c                   24.019(9)
_cell_volume                     2113.1
_refine_ls_R_factor_all          0.021
_cod_database_code               1008866
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+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
Na1 Na1+ 4 a 0. 0. 0. 1. 0 d
Na2 Na1+ 4 b 0. 0.5 0. 1. 0 d
Na3 Na1+ 4 d 0.25 0.25 0.5 1. 0 d
Na4 Na1+ 4 e 0. 0.7853(2) 0.25 1. 0 d
Na5 Na1+ 8 f 0.2531(1) 0.0456(2) 0.25339(4) 1. 0 d
Na6 Na1+ 8 f 0.3732(1) 0.5089(2) 0.12145(5) 1. 0 d
Co1 Co2+ 8 f 0.37760(3) 0.01138(4) 0.12761(1) 1. 0 d
Co2 Co2+ 8 f 0.12666(3) 0.26382(4) 0.12600(2) 1. 0 d
Al1 Al3+ 4 c 0.25 0.25 0. 1. 0 d
Al2 Al3+ 4 e 0. 0.2522(1) 0.25 1. 0 d
Al3 Al3+ 8 f 0.1264(1) 0.7651(1) 0.12584(4) 1. 0 d
F1 F1- 8 f 0.3320(1) 0.0930(2) 0.0470(1) 1. 0 d
F2 F1- 8 f 0.1497(1) 0.2767(2) 0.0454(1) 1. 0 d
F3 F1- 8 f 0.3277(1) 0.4493(2) 0.0313(1) 1. 0 d
F4 F1- 8 f 0.0775(1) 0.0751(2) 0.2907(1) 1. 0 d
F5 F1- 8 f 0.1051(1) 0.2580(2) 0.2067(1) 1. 0 d
F6 F1- 8 f 0.4242(1) -0.0628(2) 0.2092(1) 1. 0 d
F7 F1- 8 f 0.2618(1) -0.1845(2) 0.1126(1) 1. 0 d
F8 F1- 8 f 0.4917(1) 0.2118(2) 0.1401(1) 1. 0 d
F9 F1- 8 f 0.1738(1) 0.5305(2) 0.1401(1) 1. 0 d
F10 F1- 8 f 0.0877(1) 0.7210(2) 0.0511(1) 1. 0 d
F11 F1- 8 f 0.0783(1) -0.0015(2) 0.1115(1) 1. 0 d
F12 F1- 8 f 0.1652(1) 0.8109(2) 0.2008(1) 1. 0 d
F13 F1- 8 f -0.0296(1) 0.3255(2) 0.0948(1) 1. 0 d
F14 F1- 8 f 0.2827(1) 0.1996(2) 0.1582(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
Co2+ 2.000
Al3+ 3.000
F1- -1.000
