data_global
_chemical_name_mineral 'Abenakiite-(Ce)'
loop_
_publ_author_name
'McDonald A M'
'Chao G Y'
'Grice J D'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 32 
_journal_year 1994
_journal_page_first 843
_journal_page_last 854
_publ_section_title
;
 Abenakiite-(Ce), a new silicophosphate carbonate mineral from Mont
 Saint-Hilaire, Quebec: description and structure determination
;
_database_code_amcsd 0005409
_chemical_compound_source 'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum 'Si6 P6 Na26 (Ce3 Nd1.98 La1.02) C6 S O66'
_cell_length_a 16.020
_cell_length_b 16.020
_cell_length_c 19.920
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 4427.361
_exptl_crystal_density_diffrn      3.330
_symmetry_space_group_name_H-M 'R -3'
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_
_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
Si 0.00850 0.00950 0.01160 0.00480 0.00040 0.00070
P 0.01440 0.01400 0.02010 0.00790 0.00120 0.00090
Na1 0.02980 0.04750 0.02310 0.03100 -0.00020 -0.00300
Na2 0.01820 0.02550 0.03300 0.00020 0.00580 -0.00890
Na3 0.01240 0.01240 0.03320 0.00620 0.00000 0.00000
Na4 0.04830 0.02600 0.04980 0.00620 -0.01510 0.01040
Na5 0.03500 0.07690 0.04680 0.04090 0.02310 0.04380
Ce 0.01170 0.00760 0.01250 0.00480 0.00190 0.00060
Nd 0.01170 0.00760 0.01250 0.00480 0.00190 0.00060
La 0.01170 0.00760 0.01250 0.00480 0.00190 0.00060
C 0.01100 0.00940 0.00820 -0.00920 -0.00290 0.00160
O1 0.01840 0.01550 0.01250 0.00860 0.00140 -0.00060
O2 0.01060 0.02630 0.01650 0.00590 0.00160 0.00460
O3 0.02370 0.02490 0.01750 0.01820 -0.00170 -0.00220
O4 0.06040 0.03360 0.02410 0.03230 0.00330 0.00190
O5 0.02480 0.02770 0.02720 0.01990 -0.00160 -0.00490
O6 0.02580 0.04060 0.02560 0.00850 0.00860 0.00220
O7 0.01930 0.02380 0.04400 0.01200 -0.00300 -0.01050
O8 0.02680 0.02600 0.04430 0.00980 0.01290 0.00910
O9 0.03070 0.01970 0.03000 0.00450 0.00020 0.00860
O10 0.02300 0.01510 0.02320 0.00720 0.00980 0.00120