#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009581.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_9009581
loop_
_publ_author_name
'Dal Negro, A.'
'Giuseppetti, G.'
'Tadini, C.'
_publ_section_title
;
 Refinement of the crystal structure of northupite: Na3Mg(CO3)2Cl
 Locality: Searles Lake, California, USA
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              158
_journal_page_last               163
_journal_volume                  22
_journal_year                    1975
_chemical_formula_sum            'C2 Cl Mg Na3 O6'
_chemical_name_mineral           Northupite
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.069
_cell_length_b                   14.069
_cell_length_c                   14.069
_cell_volume                     2784.772
_exptl_crystal_density_diffrn    2.373
_[local]_cod_cif_authors_sg_H-M  'F d 3'
_[local]_cod_chemical_formula_sum_orig 'Na3 Mg C2 O6 Cl'
_cod_database_code               9009581
_amcsd_database_code             AMCSD#0012369
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
1/4+z,1/4+x,-y
1/4+z,3/4+x,1/2-y
3/4+z,1/4+x,1/2-y
3/4+z,3/4+x,-y
1/4+z,-x,1/4+y
1/4+z,1/2-x,3/4+y
3/4+z,-x,3/4+y
3/4+z,1/2-x,1/4+y
-z,1/4+x,1/4+y
-z,3/4+x,3/4+y
1/2-z,1/4+x,3/4+y
1/2-z,3/4+x,1/4+y
-z,-x,-y
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
y,3/4-z,3/4-x
y,1/4-z,1/4-x
1/2+y,3/4-z,1/4-x
1/2+y,1/4-z,3/4-x
3/4-y,3/4-z,x
3/4-y,1/4-z,1/2+x
1/4-y,3/4-z,1/2+x
1/4-y,1/4-z,x
3/4-y,z,3/4-x
3/4-y,1/2+z,1/4-x
1/4-y,z,1/4-x
1/4-y,1/2+z,3/4-x
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
1/4+x,-y,1/4+z
1/4+x,1/2-y,3/4+z
3/4+x,-y,3/4+z
3/4+x,1/2-y,1/4+z
-x,1/4+y,1/4+z
-x,3/4+y,3/4+z
1/2-x,1/4+y,3/4+z
1/2-x,3/4+y,1/4+z
1/4+x,1/4+y,-z
1/4+x,3/4+y,1/2-z
3/4+x,1/4+y,1/2-z
3/4+x,3/4+y,-z
-x,-y,-z
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
3/4-z,3/4-x,y
3/4-z,1/4-x,1/2+y
1/4-z,3/4-x,1/2+y
1/4-z,1/4-x,y
3/4-z,x,3/4-y
3/4-z,1/2+x,1/4-y
1/4-z,x,1/4-y
1/4-z,1/2+x,3/4-y
z,3/4-x,3/4-y
z,1/4-x,1/4-y
1/2+z,3/4-x,1/4-y
1/2+z,1/4-x,3/4-y
z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
-y,1/4+z,1/4+x
-y,3/4+z,3/4+x
1/2-y,1/4+z,3/4+x
1/2-y,3/4+z,1/4+x
1/4+y,1/4+z,-x
1/4+y,3/4+z,1/2-x
3/4+y,1/4+z,1/2-x
3/4+y,3/4+z,-x
1/4+y,-z,1/4+x
1/4+y,1/2-z,3/4+x
3/4+y,-z,3/4+x
3/4+y,1/2-z,1/4+x
-y,-z,-x
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
3/4-x,y,3/4-z
3/4-x,1/2+y,1/4-z
1/4-x,y,1/4-z
1/4-x,1/2+y,3/4-z
x,3/4-y,3/4-z
x,1/4-y,1/4-z
1/2+x,3/4-y,1/4-z
1/2+x,1/4-y,3/4-z
3/4-x,3/4-y,z
3/4-x,1/4-y,1/2+z
1/4-x,3/4-y,1/2+z
1/4-x,1/4-y,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
Na 0.02026 0.02116 0.01865 0.00000 0.00000 0.00391
Mg 0.01043 0.01043 0.01043 -0.00050 -0.00050 -0.00050
C 0.01013 0.01013 0.01013 -0.00211 -0.00211 -0.00211
O 0.01865 0.01434 0.01263 -0.00100 0.00180 0.00321
Cl 0.02647 0.02647 0.02647 -0.01023 0.01023 0.01023
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.89770 0.12500 0.12500 0.02001
Mg 0.50000 0.50000 0.50000 0.01051
C 0.28309 0.28309 0.28309 0.01013
O 0.26270 0.23011 0.35458 0.01520
Cl 0.00000 0.00000 0.00000 0.02647