#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012775.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_9012775
loop_
_publ_author_name
'Pekov, I. V.'
'Chukanov N.V'
'Kulikova, I. M.'
'Zubkova, N. V.'
'Krotova, O. D.'
'Sorokina, N. I.'
'Pushcharovsky, D. Y.'
_publ_section_title
;
 New mineral bario-olgite, Ba(Na,Sr,REE)2Na[PO4]2 and its crystal structure
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchestva'
_journal_page_first              41
_journal_page_last               49
_journal_volume                  133
_journal_year                    2004
_chemical_formula_sum
'Ba0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66'
_chemical_name_mineral           Bario-olgite
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.541
_cell_length_b                   5.541
_cell_length_c                   7.020
_cell_volume                     186.657
_[local]_cod_data_source_file    12881.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig
'(Ba.94 K.06) Na2.12 Ce.18 Sr.66 Ca.04 P2 O8'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,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
BaM1 0.00000 0.00000 0.00000 0.94000 0.04390
KM1 0.00000 0.00000 0.00000 0.06000 0.04390
NaM2 0.66667 0.33333 0.33500 0.50000 0.03480
CeM2 0.66667 0.33333 0.33500 0.18000 0.03480
SrM2 0.66667 0.33333 0.33500 0.28000 0.03480
CaM2 0.66667 0.33333 0.33500 0.04000 0.03480
NaM3 0.33333 0.66667 0.66400 0.62000 0.00670
SrM3 0.33333 0.66667 0.66400 0.38000 0.00670
NaM4 0.00000 0.00000 0.50500 1.00000 0.01420
P1 0.33333 0.66667 0.22500 1.00000 0.01050
P2 0.66667 0.33333 0.79200 1.00000 0.02600
O1 0.79500 0.18200 0.70200 1.00000 0.04600
O2 0.17000 0.82100 0.29400 1.00000 0.05100
O3 0.33333 0.66667 0.00000 1.00000 0.03500
O4 0.66667 0.33333 -0.00800 1.00000 0.03900