data_global
_chemical_name_mineral 'Stillwellite-(La)'
loop_
_publ_author_name
'Chi L'
'Chen H'
'Zhuang H'
'Huang J'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 252 
_journal_year 1997
_journal_page_first L12
_journal_page_last L15
_publ_section_title
;
 Crystal structure of LaBSiO5
;
_database_code_amcsd 0018730
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'La B Si O5'
_cell_length_a 6.874
_cell_length_b 6.874
_cell_length_c 6.717
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 274.869
_exptl_crystal_density_diffrn      4.672
_symmetry_space_group_name_H-M 'P 31'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x-y,1/3+z'
  '-x+y,-x,2/3+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
La   0.66655   0.74270   0.50000   1.00000   0.00504
B   0.55730   0.33270   0.16900   1.00000   0.01520
Si   0.66670   0.74870   0.00520   1.00000   0.00481
O1   0.32480   0.14050   0.19460   1.00000   0.00735
O2   0.51880   0.52610   0.14620   1.00000   0.00798
O3   0.80680  -0.06380   0.16590   1.00000   0.01127
O4   0.20460   0.73030   0.17550   1.00000   0.01089
O5   0.71960   0.33630   0.29100   0.58000   0.00785
O5*   0.71700   0.33100   0.04890   0.42000   0.00760
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
La 0.00374 0.00465 0.00635 0.00182 0.00023 0.00021
B 0.00590 0.00870 0.03300 0.00530 0.00700 0.01300
Si 0.00550 0.00380 0.00560 0.00280 0.00030 0.00020
O1 0.00620 0.00630 0.00760 0.00170 -0.00210 0.00130
O2 0.00870 0.00490 0.01030 0.00350 0.00350 0.00070
O3 0.01320 0.00690 0.00800 0.00120 -0.00090 -0.00130
O4 0.01700 0.00670 0.00850 0.00560 -0.00030 -0.00030
O5 0.00700 0.01000 0.00500 0.00300 -0.00200 0.00100
O5' 0.01100 0.01200 0.00200 0.00700 0.00100 0.00200