#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005220.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_9005220
loop_
_publ_author_name
'Olmi, F.'
'Sabelli, C.'
_publ_section_title
;
 Brizzite, NaSbO3, a new mineral from the Cetine mine (Tuscany, Italy):
 description and crystal structure
 Locality: Cetine mine, Tuscany, Italy
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              667
_journal_page_last               672
_journal_volume                  6
_journal_year                    1994
_chemical_formula_sum            'Na O3 Sb'
_chemical_name_mineral           Brizziite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.301
_cell_length_b                   5.301
_cell_length_c                   15.932
_cell_volume                     387.719
_exptl_crystal_density_diffrn    4.953
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_6177'
_[local]_cod_cif_authors_sg_H-M  'R -3'
_[local]_cod_chemical_formula_sum_orig 'Na Sb O3'
_cod_database_code               9005220
loop_
_symmetry_equiv_pos_as_xyz
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
-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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.00000 0.00000 0.63910 0.01456
Sb 0.00000 0.00000 0.83904 0.00494
O 0.04610 0.32360 0.76380 0.00709
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 0.01431 0.01431 0.01543 0.00715 0.00000 0.00000
Sb 0.00363 0.00363 0.00772 0.00182 0.00000 0.00000
O 0.00833 0.00662 0.00514 0.00310 -0.00148 -0.00037