#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009595.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_9009595
loop_
_publ_author_name
'Giuseppetti G'
'Tadini C'
_publ_section_title
;
 Re-examination of the crystal structure of weberite
 Locality: Ivigtut, Greenland
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              57
_journal_page_last               62
_journal_volume                  25
_journal_year                    1978
_chemical_formula_sum            'Na2 Mg Al F7'
_chemical_name_mineral           Weberite
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.060
_cell_length_b                   10.000
_cell_length_c                   7.303
_cell_volume                     515.592
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,-y,1/2+z
-x,1/2+y,-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,1/2-y,z
1/2-x,-y,1/2+z
-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_U_iso_or_equiv
Na1 0.00000 0.00000 0.00000 0.02178
Na2 0.25000 0.25000 0.75000 0.02850
Mg1 0.25000 0.25000 0.25000 0.00570
Al1 0.00000 0.00000 0.50000 0.00393
F1 0.00000 0.25000 0.13620 0.00988
F2 0.00000 0.41450 0.72050 0.01140
F3 0.18360 0.38730 0.43010 0.01102
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.01944 0.03496 0.01108 0.00000 0.00000 0.00999
Na2 0.01389 0.01824 0.05323 0.00000 -0.00470 0.00000
Mg1 0.00429 0.00659 0.00621 0.00000 0.00104 0.00000
Al1 0.00379 0.00456 0.00351 0.00000 0.00000 0.00185
F1 0.00278 0.01672 0.01027 0.00000 0.00000 0.00000
F2 0.01490 0.01317 0.00594 0.00000 0.00000 0.00074
F3 0.00859 0.01115 0.01351 0.00286 0.00131 -0.00592