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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/49/9004966.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_9004966
loop_
_publ_author_name
'Sokolova, E.'
'Hawthorne, F. C.'
'Khomyakov, A. P.'
_publ_section_title
;
 Refinement of the crystal structure and revision of the
 chemical formula of olgite: (Ba,Sr) (Na,Sr,REE)2 Na [PO4]2
 Sample: III
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1521
_journal_page_last               1526
_journal_paper_doi               10.2113/gscanmin.43.5.1521
_journal_volume                  43
_journal_year                    2005
_chemical_compound_source
'Lovozero alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Ba0.88 Ca0.04 Ce0.06 La0.04 Na2.2 O8 P2 Sr0.78'
_chemical_name_mineral           Olgite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.5492
_cell_length_b                   5.5492
_cell_length_c                   7.0286
_cell_formula_units_Z            1
_cell_volume                     187.439
_database_code_amcsd             0006064
_exptl_crystal_density_diffrn    3.945
_cod_original_formula_sum        'Ba.88 Sr.78 Na2.2 Ce.06 La.04 Ca.04 P2 O8'
_cod_database_code               9004966
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-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
BaM1 0.00000 0.00000 0.50000 0.88000 0.04050
SrM1 0.00000 0.00000 0.50000 0.12000 0.04050
NaM2 0.33333 0.66667 0.16315 0.62000 0.02230
SrM2 0.33333 0.66667 0.16315 0.33000 0.02230
CeM2 0.33333 0.66667 0.16315 0.03000 0.02230
LaM2 0.33333 0.66667 0.16315 0.02000 0.02230
NaM3 0.00000 0.00000 0.00000 0.96000 0.01650
CaM3 0.00000 0.00000 0.00000 0.04000 0.01650
P 0.33333 0.66667 0.71730 1.00000 0.01420
O1 0.37060 0.18530 0.20480 1.00000 0.04280
O2 0.33333 0.66667 0.50230 1.00000 0.03650
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006064
