data_global
_amcsd_formula_title 'RbBaScSi3O9'
loop_
_publ_author_name
'Wierzbicka-Wieczorek M'
'Kolitsch U'
'Tillmanns E'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 48 
_journal_year 2010
_journal_page_first 51
_journal_page_last 68
_publ_section_title
;
 The crystal structures of three new complex silicates of scandium
;
_database_code_amcsd 0006317
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Rb Ba Sc Si3 O9'
_cell_length_a 6.957
_cell_length_b 10.199
_cell_length_c 11.881
_cell_angle_alpha 90
_cell_angle_beta 90.07
_cell_angle_gamma 90
_cell_volume 843.009
_exptl_crystal_density_diffrn      3.908
_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
Rb   0.24420   0.55434   0.57947   0.01576
Ba   0.24119   0.44084   0.91236   0.01100
Sc   0.25646   0.50412   0.23416   0.00641
Si1   0.31093   0.26411   0.44195   0.00632
Si2   0.00786   0.25153   0.62327   0.00636
Si3   0.43439   0.25320   0.68364   0.00650
O1   0.35690   0.37539   0.35277   0.01150
O2   0.34890   0.11341   0.40971   0.00940
O3   0.09410   0.28422   0.49568   0.01010
O4   0.46000   0.29258   0.54950   0.01100
O5  -0.12350   0.37269   0.65380   0.01440
O6  -0.08380   0.10734   0.61150   0.01100
O7   0.19840   0.24644   0.70620   0.01600
O8   0.50350   0.37039   0.76207   0.01120
O9   0.50620   0.10667   0.70490   0.01400
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
Rb 0.01734 0.01146 0.01848 0.00014 -0.00102 0.00057
Ba 0.01002 0.01230 0.01068 0.00083 -0.00011 -0.00184
Sc 0.00762 0.00526 0.00634 0.00011 0.00010 -0.00030
Si1 0.00720 0.00600 0.00570 0.00052 0.00040 0.00038
Si2 0.00570 0.00680 0.00660 0.00000 -0.00001 -0.00080
Si3 0.00620 0.00630 0.00690 -0.00020 -0.00119 -0.00050
O1 0.01360 0.01030 0.01070 0.00120 0.00100 0.00580
O2 0.01160 0.00730 0.00930 0.00070 -0.00030 -0.00110
O3 0.00870 0.01450 0.00730 0.00140 0.00110 0.00120
O4 0.00910 0.01580 0.00810 -0.00340 0.00060 0.00010
O5 0.01730 0.01090 0.01520 0.00610 0.00370 -0.00050
O6 0.01650 0.00810 0.00850 -0.00390 0.00220 -0.00060
O7 0.00640 0.03050 0.01100 -0.00180 0.00030 0.00510
O8 0.01360 0.00970 0.01020 -0.00260 0.00090 -0.00360
O9 0.01450 0.00830 0.01930 0.00340 -0.00330 -0.00040