data_global
_chemical_name_mineral 'Dollaseite-(Ce)'
loop_
_publ_author_name
'Peacor D R'
'Dunn P J'
_journal_name_full 'American Mineralogist'
_journal_volume 73 
_journal_year 1988
_journal_page_first 838
_journal_page_last 842
_publ_section_title
;
 Dollaseite-(Ce) (Magnesium orthite redefined): Structure refinement and
 implications for F + M2+ substitutions in epidote-group minerals
 Note: Mg3-x coordinate has been corrected
;
_database_code_amcsd 0001187
_chemical_formula_sum '(Ca.963 Ce1.037) Si3 Mg1.867 Fe.148 Al.985 O12.13 F.87 H'
_cell_length_a 8.934
_cell_length_b 5.721
_cell_length_c 10.176
_cell_angle_alpha 90
_cell_angle_beta 114.3
_cell_angle_gamma 90
_cell_volume 474.030
_exptl_crystal_density_diffrn      3.923
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-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
Ca1   0.76270   0.75000   0.14800   0.94300 ?
Ce1   0.76270   0.75000   0.14800   0.05700 ?
Ca2   0.59320   0.75000   0.42610   0.02000 ?
Ce2   0.59320   0.75000   0.42610   0.98000 ?
Si1   0.34390   0.75000   0.04270   1.00000 ?
Si2   0.69120   0.25000   0.27840   1.00000 ?
Si3   0.18770   0.75000   0.32200   1.00000 ?
Mg1   0.00000   0.00000   0.00000   0.99500 ?
Fe1   0.00000   0.00000   0.00000   0.00500 ?
Al2   0.00000   0.00000   0.50000   0.98500 ?
Fe2   0.00000   0.00000   0.50000   0.01500 ?
Mg3   0.31150   0.25000   0.21270   0.87200 ?
Fe3   0.31150   0.25000   0.21270   0.12800 ?
O1   0.24500   0.99170   0.03690   1.00000 ?
O2   0.31200   0.97430   0.36150   1.00000 ?
O3   0.80200   0.01530   0.33360   1.00000 ?
F4   0.06070   0.25000   0.14570   0.87000 ?
O4   0.06070   0.25000   0.14570   0.13000 ?
O5   0.04550   0.75000   0.15640   1.00000 ?
O6   0.07680   0.75000   0.41720   1.00000 ?
O7   0.51740   0.75000   0.18060   1.00000 ?
O8   0.54740   0.25000   0.33240   1.00000 ?
O9   0.61540   0.25000   0.10080   1.00000 ?
O10   0.09170   0.25000   0.43420   1.00000 ?
H   0.06800   0.25000   0.33300   1.00000   0.02000
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
Ca1 0.01420 0.01000 0.01100 0.00000 0.00860 0.00000
Ce1 0.01420 0.01000 0.01100 0.00000 0.00860 0.00000
Ca2 0.00720 0.01340 0.00730 0.00000 0.00180 0.00000
Ce2 0.00720 0.01340 0.00730 0.00000 0.00180 0.00000
Si1 0.00580 0.00830 0.00690 0.00000 0.00190 0.00000
Si2 0.00690 0.00870 0.00790 0.00000 0.00360 0.00000
Si3 0.00640 0.00720 0.00670 0.00000 0.00340 0.00000
Mg1 0.00440 0.00490 0.00630 -0.00050 0.00240 -0.00040
Fe1 0.00440 0.00490 0.00630 -0.00050 0.00240 -0.00040
Al2 0.00570 0.00770 0.00690 0.00050 0.00220 0.00010
Fe2 0.00570 0.00770 0.00690 0.00050 0.00220 0.00010
Mg3 0.00450 0.00740 0.00570 0.00000 -0.00090 0.00000
Fe3 0.00450 0.00740 0.00570 0.00000 -0.00090 0.00000
O1 0.00820 0.00840 0.00870 0.00110 0.00220 0.00100
O2 0.01040 0.01040 0.00780 -0.00160 0.00280 -0.00120
O3 0.01090 0.00790 0.01080 0.00080 0.00040 -0.00080
F4 0.00840 0.01110 0.00740 0.00000 0.00230 0.00000
O4 0.00840 0.01110 0.00740 0.00000 0.00230 0.00000
O5 0.00610 0.01220 0.00440 0.00000 0.00040 0.00000
O6 0.01060 0.00990 0.01410 0.00000 0.00800 0.00000
O7 0.00530 0.01520 0.00880 0.00000 -0.00060 0.00000
O8 0.00500 0.03060 0.01470 0.00000 0.00380 0.00000
O9 0.00980 0.02670 0.00500 0.00000 0.00250 0.00000
O10 0.00690 0.01230 0.00850 0.00000 0.00400 0.00000