#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/43/9014382.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_9014382
loop_
_publ_author_name
'Kampf, A. R.'
'Mills, S. J.'
'Nestola, F.'
'Ciriotti, M. E.'
'Kasatkin, A. V.'
_publ_section_title
;
 Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California
;
_journal_name_full               'American Mineralogist'
_journal_page_first              231
_journal_page_last               235
_journal_paper_doi               10.2138/am.2013.4214
_journal_volume                  98
_journal_year                    2012
_chemical_compound_source        'Salton Sea, California, USA'
_chemical_formula_sum            'Cl6 K3 Mn Na'
_chemical_name_mineral           Saltonseaite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.0966
_cell_length_b                   12.0966
_cell_length_c                   13.9555
_cell_volume                     1768.490
_database_code_amcsd             0019751
_exptl_crystal_density_diffrn    2.298
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'K3 Na Mn Cl6'
_cod_database_code               9014382
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,1/2+z
2/3+x,1/3+x-y,5/6+z
1/3+x,2/3+x-y,1/6+z
y,x,1/2-z
2/3+y,1/3+x,5/6-z
1/3+y,2/3+x,1/6-z
-x+y,y,1/2+z
2/3-x+y,1/3+y,5/6+z
1/3-x+y,2/3+y,1/6+z
-x,-x+y,1/2-z
2/3-x,1/3-x+y,5/6-z
1/3-x,2/3-x+y,1/6-z
-y,-x,1/2+z
2/3-y,1/3-x,5/6+z
1/3-y,2/3-x,1/6+z
x-y,-y,1/2-z
2/3+x-y,1/3-y,5/6-z
1/3+x-y,2/3-y,1/6-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-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
K 0.02627 0.02558 0.02846 0.01279 -0.00274 -0.00548
Na 0.03440 0.03440 0.01780 0.01718 0.00000 0.00000
Mn 0.01713 0.01713 0.01504 0.00857 0.00000 0.00000
Cl 0.02080 0.02933 0.02162 0.01406 -0.00331 -0.00062
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K 0.29052 0.33333 0.08333 0.02685
Na 0.00000 0.00000 0.25000 0.02882
Mn 0.00000 0.00000 0.00000 0.01644
Cl 0.18155 0.02713 0.10888 0.02324