#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/43/9004336.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_9004336
loop_
_publ_author_name
'McDonald, A. M.'
'Chao, G. Y.'
'Grice, J. D.'
_publ_section_title
;
 Abenakiite-(Ce), a new silicophosphate carbonate mineral from Mont
 Saint-Hilaire, Quebec: description and structure determination
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              843
_journal_page_last               854
_journal_volume                  32
_journal_year                    1994
_chemical_compound_source        'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum            'C6 Ce3 La1.02 Na26 Nd1.98 O66 P6 S Si6'
_chemical_name_mineral           Abenakiite-(Ce)
_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                   16.020
_cell_length_b                   16.020
_cell_length_c                   19.920
_cell_formula_units_Z            3
_cell_volume                     4427.362
_database_code_amcsd             0005409
_exptl_crystal_density_diffrn    3.330
_cod_original_cell_volume        4427.361
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Si6 P6 Na26 (Ce3 Nd1.98 La1.02) C6 S O66'
_cod_database_code               9004336
loop_
_space_group_symop_operation_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_occupancy
_atom_site_U_iso_or_equiv
Si 0.42990 0.86520 0.12710 1.00000 ?
P 0.31850 0.00060 0.00090 1.00000 ?
Na1 0.34800 0.34830 0.17120 1.00000 ?
Na2 0.55250 0.10460 0.71030 1.00000 ?
Na3 0.33333 0.66667 0.02300 1.00000 ?
Na4 0.20880 0.78500 0.73780 1.00000 ?
Na5 0.11210 0.20890 0.09750 1.00000 ?
Ce 0.53552 0.11288 0.05834 0.50000 ?
Nd 0.53552 0.11288 0.05834 0.33000 ?
La 0.53552 0.11288 0.05834 0.17000 ?
C 0.26570 0.76430 0.87470 1.00000 ?
S 0.66667 0.33333 0.33333 1.00000 0.05850
O1 0.44000 0.82500 0.05550 1.00000 ?
O2 0.31410 0.81410 0.14620 1.00000 ?
O3 0.83770 0.19140 0.80140 1.00000 ?
O4 0.50010 0.80520 0.84330 1.00000 ?
O5 0.39400 0.96820 0.99470 1.00000 ?
O6 0.60460 0.96000 0.73400 1.00000 ?
O7 0.63010 0.90790 0.95520 1.00000 ?
O8 0.76910 0.07310 0.96170 1.00000 ?
O9 0.32770 0.84270 0.84800 1.00000 ?
O10 0.46180 0.71620 0.93770 1.00000 ?
O11 0.57740 0.24560 0.33740 1.00000 0.05880
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005409
