data_global
_chemical_name_mineral 'Gadolinite-(Y)'
loop_
_publ_author_name
'Demartin F'
'Pilati T'
'Diella V'
'Gentile P'
'Gramaccioli C M'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 31 
_journal_year 1993
_journal_page_first 127
_journal_page_last 136
_publ_section_title
;
 A crystal-chemical investigation of alpine gadolinite
 Sample: 8
 Note: structure from ICSD
;
_database_code_amcsd 0005290
_chemical_compound_source '"Bosco", Val Vigezzo, Italy'
_chemical_formula_sum '(Y1.74 Dy.13 Ca.13) (Be1.76 B.24) Fe.82 Si2 O10'
_cell_length_a 4.743
_cell_length_b 7.518
_cell_length_c 9.933
_cell_angle_alpha 90
_cell_angle_beta 90.52
_cell_angle_gamma 90
_cell_volume 354.175
_exptl_crystal_density_diffrn      4.327
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Y   0.99942   0.10771   0.32927   0.87000
Dy   0.99942   0.10771   0.32927   0.06500
Ca   0.99942   0.10771   0.32927   0.06500
Be   0.46100   0.41380   0.33580   0.88000
B   0.46100   0.41380   0.33580   0.12000
Fe   0.00000   0.00000   0.00000   0.82000
Si   0.51870   0.27884   0.07826   1.00000
O1   0.76060   0.41380   0.03030   1.00000
O2   0.32340   0.28680   0.45130   1.00000
O3   0.30710   0.34690   0.19540   1.00000
O4   0.68580   0.10730   0.14290   1.00000
O5   0.79600   0.41250   0.33240   1.00000
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
Y 0.00341 0.00356 0.00345 -0.00045 -0.00033 -0.00021
Dy 0.00341 0.00356 0.00345 -0.00045 -0.00033 -0.00021
Ca 0.00341 0.00356 0.00345 -0.00045 -0.00033 -0.00021
Be 0.00400 0.00500 0.00570 0.00040 0.00040 0.00020
B 0.00400 0.00500 0.00570 0.00040 0.00040 0.00020
Fe 0.00390 0.00510 0.00410 0.00120 0.00030 0.00060
Si 0.00270 0.00250 0.00340 0.00000 0.00030 0.00000
O1 0.00500 0.00480 0.00680 0.00150 0.00040 -0.00180
O2 0.00430 0.00550 0.00590 0.00220 -0.00100 -0.00110
O3 0.00590 0.00720 0.00540 -0.00170 0.00130 0.00140
O4 0.00510 0.00460 0.00730 0.00060 -0.00060 0.00070
O5 0.00440 0.00810 0.00660 -0.00090 0.00050 0.00020