data_global
_chemical_name_mineral 'Qaqarssukite-(Ce)'
loop_
_publ_author_name
'Grice J D'
'Gault R A'
'Rowe R'
'Johnsen O'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 44 
_journal_year 2006
_journal_page_first 1137
_journal_page_last 1146
_publ_section_title
;
 Qaqarssukite-(Ce), a new barium-cerium fluorcarbonate mineral species from
 Qaqarssuk, Greenland
;
_database_code_amcsd 0006109
_chemical_compound_source 'Qaqarssuk, Greenland'
_chemical_formula_sum 'Ce Ba C2 O6 F'
_cell_length_a 7.242
_cell_length_b 7.242
_cell_length_c 18.192
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 826.282
_exptl_crystal_density_diffrn      5.022
_symmetry_space_group_name_H-M 'P -3 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,-x+y,-z'
  '-x,-x+y,1/2-z'
  '-x+y,-x,z'
  '-x+y,y,1/2+z'
  '-x,-y,-z'
  'y,x,1/2-z'
  '-y,x-y,z'
  'x,x-y,1/2+z'
  'x-y,x,-z'
  'x-y,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ce   0.34830   0.00000   0.25000   0.01500
Ba1   0.00000   0.00000   0.00000   0.01300
Ba2   0.66667   0.33333   0.05610   0.01520
C   0.13500  -0.21800   0.11300   0.01400
O1   0.24200  -0.00500   0.11600   0.02100
O2   0.07100  -0.31000   0.04900   0.02400
O3   0.59000  -0.09400   0.17500   0.02300
F1   0.66667   0.33333   0.70400   0.02000
F2   0.00000   0.00000   0.25000   0.06000
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
Ce 0.01400 0.01400 0.01700 0.00700 -0.01200 -0.00200
Ba1 0.01000 0.01000 0.01900 0.00530 0.00000 0.00000
Ba2 0.01500 0.01500 0.01600 0.00740 0.00000 0.00000
C 0.01000 0.01000 0.03000 0.00400 0.00100 0.00400
O1 0.03000 0.01100 0.02100 0.00800 0.00800 0.00300
O2 0.02000 0.02000 0.04000 0.01900 -0.00400 -0.00200
O3 0.02000 0.02000 0.04000 0.01600 0.00900 0.01100
F1 0.01800 0.01800 0.02000 0.00900 0.00000 0.00000
F2 0.04000 0.04000 0.09000 0.02000 0.00000 0.00000