data_global
_chemical_name_mineral 'Britholite-(Ce)'
loop_
_publ_author_name
'Noe D C'
'Hughes J M'
'Mariano A N'
'Drexler J W'
'Kato A'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 206 
_journal_year 1993
_journal_page_first 233
_journal_page_last 246
_publ_section_title
;
 The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
 Note: annealed sample
;
_database_code_amcsd 0011043
_chemical_compound_source 'the Kipawa syenite gneiss complex'
_chemical_formula_sum '(Ca2.43 Ce2.57) Si3 O12.1 F.8 H.1'
_cell_length_a 9.4932
_cell_length_b 9.4985
_cell_length_c 6.9371
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120.038
_cell_volume 541.514
_exptl_crystal_density_diffrn      4.604
_symmetry_space_group_name_H-M 'P 1 1 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,1/2+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
Ca1a   0.33306   0.66670  -0.00540   0.58000   0.01482
Ce1a   0.33306   0.66670  -0.00540   0.42000   0.01482
Ca1b   0.33361   0.66653   0.49340   0.63000   0.01127
Ce1b   0.33361   0.66653   0.49340   0.37000   0.01127
Ca2a   0.99015   0.24053   0.24370   0.40000   0.01280
Ce2a   0.99015   0.24053   0.24370   0.60000   0.01280
Ca2b   0.24055   0.25039   0.74350   0.41000   0.01294
Ce2b   0.24055   0.25039   0.74350   0.59000   0.01294
Ca2c   0.25040   0.00989   0.24450   0.41000   0.01265
Ce2c   0.25040   0.00989   0.24450   0.59000   0.01265
Si1   0.02840   0.62960   0.25000   1.00000   0.00887
Si2   0.37020   0.39850   0.24300   1.00000   0.00912
Si3   0.60120   0.97150   0.24070   1.00000   0.00912
O1a   0.83540   0.51150   0.23600   1.00000   0.01684
O1b   0.48780   0.32300   0.23800   1.00000   0.01773
O1c   0.67590   0.16420   0.25300   1.00000   0.01748
O2a   0.40560   0.87390   0.22700   1.00000   0.01520
O2b   0.46810   0.59450   0.22600   1.00000   0.01229
O2c   0.12660   0.53280   0.26700   1.00000   0.01140
O3a   0.63920   0.90100   0.05380   1.00000   0.01077
O3b   0.68280   0.92370   0.42000   1.00000   0.01900
O3c   0.26130   0.36020   0.05460   1.00000   0.01089
O3d   0.24070   0.31710   0.42100   1.00000   0.02153
O3e   0.07620   0.75810   0.07060   1.00000   0.01672
O3f   0.09990   0.73800   0.43950   1.00000   0.01406
F  -0.00040   0.99950   0.21170   0.80000   0.53422
O-H  -0.00040   0.99950   0.21170   0.10000   0.78752