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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012179.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012179
loop_
_publ_author_name
'Knop, O.'
'Cameron, T. S.'
'Jochem, K.'
_publ_section_title
;
 What is the true space group of weberite?
 Locality: Ivigtut, Greenland
 Sample: Imm2 refinement, T = ambient
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              213
_journal_page_last               221
_journal_volume                  43
_journal_year                    1982
_chemical_formula_sum            'Al F7 Mg Na2'
_chemical_name_mineral           Weberite
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.051
_cell_length_b                   9.968
_cell_length_c                   7.285
_cell_volume                     512.022
_exptl_crystal_density_diffrn    2.987
_[local]_cod_chemical_formula_sum_orig 'Na2 Mg Al F7'
_cod_database_code               9012179
_amcsd_database_code             AMCSD#0012782
loop_
_symmetry_equiv_pos_as_xyz
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,y,z
1/2-x,1/2+y,1/2+z
-x,-y,z
1/2-x,1/2-y,1/2+z
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 0.01810 0.01960 0.05560 0.00000 -0.00490 0.00000
Na2 0.02290 0.03320 0.01500 0.00000 0.00000 -0.00970
Mg 0.00780 0.00670 0.00750 0.00000 0.00070 0.00000
Al 0.00820 0.00730 0.00760 0.00000 0.00000 -0.00180
F1 0.01090 0.01950 0.01640 0.00000 0.00000 0.00000
F2 0.00560 0.01960 0.00960 0.00000 0.00000 0.00000
F3 0.02220 0.01530 0.01130 0.00000 0.00000 0.00060
F4 0.01510 0.01740 0.00840 0.00000 0.00000 0.00200
F5 0.01290 0.01590 0.01540 -0.00010 0.00140 -0.00940
F6 0.01360 0.01090 0.01890 -0.00670 0.00220 0.00260
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1 0.24920 0.00000 0.49860
Na2 0.00000 0.25340 0.75030
Mg 0.24990 0.00000 0.00000
Al 0.00000 0.24990 0.25030
F1 0.00000 0.00000 0.88440
F2 0.00000 0.50000 0.61190
F3 0.00000 0.16630 0.47000
F4 0.00000 0.33670 0.02820
F5 0.18380 0.13780 0.18050
F6 0.31650 0.13710 0.81980