data_global
_chemical_name_mineral 'Ancylite-(La)'
loop_
_publ_author_name
'Petersen O V'
'Niedermayr G'
'Gault R A'
'Brandstatter F'
'Micheelsen H I'
'Giester G'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 2001 
_journal_year 2001
_journal_page_first 493
_journal_page_last 504
_publ_section_title
;
 Ancylite-(La) from the Ilimaussaq alkaline complex, South Greenland
;
_database_code_amcsd 0014913
_chemical_compound_source 'Ilimaussaq alkaline complex, South Greenland'
_chemical_formula_sum 'Sr.31 Ca.05 La.27 Nd.205 Pr.07 Ce.04 Sm.01 C O3.925 F.075 H1.425'
_cell_length_a 5.044
_cell_length_b 8.541
_cell_length_c 7.292
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 314.145
_exptl_crystal_density_diffrn      4.036
_symmetry_space_group_name_H-M 'P m c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
SrM   0.25000   0.34134   0.64817   0.31000   0.01080
CaM   0.25000   0.34134   0.64817   0.05000   0.01080
LaM   0.25000   0.34134   0.64817   0.27000   0.01080
NdM   0.25000   0.34134   0.64817   0.20500   0.01080
PrM   0.25000   0.34134   0.64817   0.07000   0.01080
CeM   0.25000   0.34134   0.64817   0.04000   0.01080
SmM   0.25000   0.34134   0.64817   0.01000   0.01080
C   0.75000   0.19180   0.81300   1.00000   0.01190
O1   0.75000   0.32130   0.72580   1.00000   0.02330
O2   0.52910   0.12380   0.85190   1.00000   0.01820
Wat   0.25000   0.41510   0.97710   0.50000   0.03130
O-H   0.25000   0.41510   0.97710   0.42500   0.03130
F   0.25000   0.41510   0.97710   0.07500   0.03130
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
SrM 0.00997 0.01079 0.01163 0.00000 0.00000 -0.00043
CaM 0.00997 0.01079 0.01163 0.00000 0.00000 -0.00043
LaM 0.00997 0.01079 0.01163 0.00000 0.00000 -0.00043
NdM 0.00997 0.01079 0.01163 0.00000 0.00000 -0.00043
PrM 0.00997 0.01079 0.01163 0.00000 0.00000 -0.00043
CeM 0.00997 0.01079 0.01163 0.00000 0.00000 -0.00043
SmM 0.00997 0.01079 0.01163 0.00000 0.00000 -0.00043
C 0.01180 0.01270 0.01110 0.00000 0.00000 0.00160
O1 0.01900 0.01800 0.03300 0.00000 0.00000 0.01190
O2 0.01350 0.01950 0.02170 -0.00190 0.00140 0.00190
Wat 0.04100 0.03600 0.01600 0.00000 0.00000 0.00530
O-H 0.04100 0.03600 0.01600 0.00000 0.00000 0.00530
F 0.04100 0.03600 0.01600 0.00000 0.00000 0.00530