data_global
_chemical_name_mineral 'Samarskite-(Y)'
loop_
_publ_author_name
'Britvin S N'
'Pekov I V'
'Krzhizhanovskaya M G'
'Agakhanov A A'
'Ternes B'
'Schuller W'
'Chukanov N V'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 46 
_journal_year 2019
_journal_page_first 727
_journal_page_last 741
_publ_section_title
;
 Redefinition and crystal chemistry of samarskite-(Y), YFe3+Nb2O8:
 cation-ordered niobate structurally related to layered double tungstates
 Sample LS-1100, after annealing at 1100 C
;
_database_code_amcsd 0021079
_chemical_compound_source 'Laacher See, Eifel, Rhineland-Palatinate, Germany'
_chemical_formula_sum 'Y.25 La.01 Ce.03 Nd.02 Sm.01 Gd.01 Dy.04 Ho.01 Er.02 Yb.03 Th.37 U.13 Ca.03 Fe.73 Mn.18 (Nb1.84 Ti.06 Zr.06 Ta.02 W.02) O8'
_cell_length_a 9.8006
_cell_length_b 5.6254
_cell_length_c 5.2154
_cell_angle_alpha 90
_cell_angle_beta 93.481
_cell_angle_gamma 90
_cell_volume 287.006
_exptl_crystal_density_diffrn      6.176
_symmetry_space_group_name_H-M 'P 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,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
YA   0.00000   0.26284   0.75000   0.25000   0.00450
LaA   0.00000   0.26284   0.75000   0.01000   0.00450
CeA   0.00000   0.26284   0.75000   0.03000   0.00450
NdA   0.00000   0.26284   0.75000   0.02000   0.00450
SmA   0.00000   0.26284   0.75000   0.01000   0.00450
GdA   0.00000   0.26284   0.75000   0.01000   0.00450
DyA   0.00000   0.26284   0.75000   0.04000   0.00450
HoA   0.00000   0.26284   0.75000   0.01000   0.00450
ErA   0.00000   0.26284   0.75000   0.02000   0.00450
YbA   0.00000   0.26284   0.75000   0.03000   0.00450
ThA   0.00000   0.26284   0.75000   0.37000   0.00450
U4+A   0.00000   0.26284   0.75000   0.13000   0.00450
CaA   0.00000   0.26284   0.75000   0.03000   0.00450
Fe3+M   0.50000   0.33682   0.75000   0.73000   0.00520
Mn2+M   0.50000   0.33682   0.75000   0.18000   0.00520
NbB   0.73420   0.18354   0.28542   0.92000   0.00390
TiB   0.73420   0.18354   0.28542   0.03000   0.00390
ZrB   0.73420   0.18354   0.28542   0.03000   0.00390
TaB   0.73420   0.18354   0.28542   0.01000   0.00390
WB   0.73420   0.18354   0.28542   0.01000   0.00390
O1   0.13770   0.06410   0.47600   1.00000   0.00820
O2   0.13120   0.40510   0.10010   1.00000   0.00930
O3   0.63940   0.12080   0.59910   1.00000   0.00910
O4   0.61260   0.37640   0.09900   1.00000   0.01040