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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/26/9012636.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_9012636
loop_
_publ_author_name
'Pushcharovsky, D. Y.'
'Pekov, I. V.'
'Pluth, J. J.'
'Smith, J.'
'Ferraris, G.'
'Vinogradova, S. A.'
'Arakcheeva, A. V.'
'Soboleva, S. V.'
'Semenov, E. I.'
_publ_section_title
;
 Raite, manganonordite-(Ce), and ferronordite-(Ce) from the Lovozero massif:
 Crystal structures and mineralogical geochemistry
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              565
_journal_page_last               574
_journal_volume                  44
_journal_year                    1999
_chemical_compound_source        'Lovozero Massif'
_chemical_formula_sum
;Ba0.019 Ca0.051 Ce0.52 Fe0.23 La0.43 Mg0.1 Mn0.42 Na2.949 Nd0.05 O17 Si6
 Sr0.981 Zn0.24
;
_chemical_name_mineral           Manganonordite-(Ce)
_space_group_IT_number           54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.44
_cell_length_b                   5.187
_cell_length_c                   19.82
_cell_formula_units_Z            4
_cell_volume                     1484.524
_database_code_amcsd             0012361
_exptl_crystal_density_diffrn    3.547
_cod_original_cell_volume        1484.523
_cod_original_formula_sum
;(Na2.949 Ca.051) (Sr.981 Ba.019) (Ce.52 La.43 Nd.05) Mn.42 Zn.24 Mg.1 Fe.23
 Si6 O17
;
_cod_database_code               9012636
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,y,1/2+z
1/2+x,-y,1/2-z
1/2+x,y,-z
1/2-x,-y,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
Na1 0.00000 0.00000 0.00000 0.98300 0.01039
Ca1 0.00000 0.00000 0.00000 0.01700 0.01039
Na2 0.06970 0.00930 0.17140 0.98300 0.01393
Ca2 0.06970 0.00930 0.17140 0.01700 0.01393
Sr 0.25000 0.00000 0.02227 0.98100 0.00219
Ba 0.25000 0.00000 0.02227 0.01900 0.00219
Ce 0.25000 0.00000 0.31981 0.52000 0.00124
La 0.25000 0.00000 0.31981 0.43000 0.00124
Nd 0.25000 0.00000 0.31981 0.05000 0.00124
Mn 0.25000 0.50000 0.17012 0.42000 0.00228
Zn 0.25000 0.50000 0.17012 0.24000 0.00228
Mg 0.25000 0.50000 0.17012 0.10000 0.00228
Fe 0.25000 0.50000 0.17012 0.23000 0.00228
Si1 0.09814 0.46160 0.06430 1.00000 0.00025
Si2 0.10170 0.54240 0.27472 1.00000 0.00013
Si3 0.11141 0.54590 0.91870 1.00000 0.00013
O1 0.99480 0.33740 0.08190 1.00000 0.00228
O2 0.17030 0.29900 0.10850 1.00000 0.00380
O3 0.11790 0.35670 -0.01470 1.00000 0.00215
O4 0.10260 0.76530 0.06750 1.00000 0.00507
O5 0.00000 0.64410 0.25000 1.00000 0.00507
O6 0.17580 0.71540 0.23400 1.00000 0.00304
O7 0.11700 0.65030 0.35330 1.00000 0.00304
O8 0.11510 0.24040 0.27200 1.00000 0.00608
O9 0.18530 0.22990 0.41810 1.00000 0.00469
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012361
