#------------------------------------------------------------------------------
#$Date: 2013-03-29 11:50:04 +0100 (Fri, 29 Mar 2013) $
#$Revision: 77877 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/99/9009970.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_9009970
loop_
_publ_author_name
'Nguyen, N.'
'Choisnet, J.'
'Raveau, B.'
_publ_section_title
;
 Silicates synthetiques a structure milarite
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_volume                  34
_journal_year                    1980
_chemical_formula_structural     RbNaMg5Si12O30
_chemical_formula_sum            'Mg5 Na O30 Rb Si12'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.135
_cell_length_b                   10.135
_cell_length_c                   14.376
_cell_volume                     1278.840
_exptl_crystal_density_diffrn    2.719
_[local]_cod_chemical_formula_sum_orig 'Rb Na Mg5 Si12 O30'
_cod_database_code               9009970
_amcsd_database_code             AMCSD#0013552
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,-z
x-y,x,z
-y,-x,1/2+z
y,x,1/2-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,-z
-x,-y,z
x,x-y,1/2+z
-x,-x+y,1/2-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,-z
y,-x+y,z
-x+y,y,1/2+z
x-y,-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
RbA1 0.00000 0.00000 0.25000 1.00000 0.02533
NaA2 0.33333 0.66667 0.00000 0.50000 0.01900
MgM1 0.33333 0.66667 0.25000 1.00000 0.01900
MgM2 0.50000 0.00000 0.25000 1.00000 0.00887
Si 0.76100 0.11600 0.10700 1.00000 0.01267
O1 0.73000 0.13900 0.00000 1.00000 0.00760
O2 0.94200 0.22300 0.13600 1.00000 0.01267
O3 0.65800 0.15500 0.16300 1.00000 0.00887