data_global
_amcsd_formula_title 'BaKYSi2O7'
loop_
_publ_author_name
'Kolitsch U'
'Wierzbicka-Wieczorek M'
'Tillmanns E'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 47 
_journal_year 2009
_journal_page_first 421
_journal_page_last 431
_publ_section_title
;
 Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19
;
_database_code_amcsd 0006290
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ba K Y Si2 O7'
_cell_length_a 9.775
_cell_length_b 5.718
_cell_length_c 13.096
_cell_angle_alpha 90
_cell_angle_beta 104.61
_cell_angle_gamma 90
_cell_volume 708.312
_exptl_crystal_density_diffrn      4.065
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-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_U_iso_or_equiv
Ba   0.63676   0.76922   0.17212   0.00926
K   0.13201   0.26406   0.13885   0.01916
Y   0.76069   0.24063   0.02162   0.00554
Si1   0.44792   0.27157   0.12132   0.00521
Si2   0.97508   0.75487   0.14618   0.00563
O1   0.36322   0.08040   0.03933   0.01260
O2   0.39106   0.53490   0.09229   0.01260
O3   0.61843   0.25820   0.13816   0.00880
O4   0.41496   0.20310   0.23643   0.01080
O5   0.07325   0.76080   0.06444   0.01230
O6   0.86372   0.53810   0.12693   0.01100
O7   0.89240   0.00070   0.15120   0.00910
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
Ba 0.00893 0.00803 0.01092 -0.00069 0.00267 0.00081
K 0.00880 0.01490 0.03370 0.00003 0.00517 -0.00130
Y 0.00541 0.00568 0.00556 -0.00011 0.00145 -0.00013
Si1 0.00510 0.00520 0.00510 -0.00040 0.00090 -0.00001
Si2 0.00500 0.00570 0.00640 -0.00012 0.00178 -0.00045
O1 0.01320 0.01260 0.01140 -0.00440 0.00170 -0.00410
O2 0.01080 0.00890 0.01580 0.00150 -0.00080 0.00240
O3 0.00690 0.00960 0.01030 -0.00010 0.00260 -0.00070
O4 0.00780 0.01660 0.00810 -0.00370 0.00210 0.00080
O5 0.01110 0.01670 0.01160 0.00210 0.00720 0.00120
O6 0.01090 0.00780 0.01460 -0.00260 0.00390 -0.00290
O7 0.01030 0.00720 0.01020 0.00210 0.00330 0.00050