data_global
_chemical_name_mineral 'Stillwellite-(La)'
loop_
_publ_author_name
'Belokoneva E L'
'Shuvaeva V A'
'Antipin M Yu'
'Leonyuk N I'
_journal_name_full 'Zhurnal Neorganicheskoi Khimii'
_journal_volume 41 
_journal_year 1996
_journal_page_first 1097
_journal_page_last 1101
_publ_section_title
;
 Crystal structure of a high-temperature modification of LaBSiO5,
 a synthetic analog of stillwellite
 Note: T = 273 K
;
_database_code_amcsd 0018731
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'La B Si O5'
_cell_length_a 6.838
_cell_length_b 6.838
_cell_length_c 6.773
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 274.265
_exptl_crystal_density_diffrn      4.683
_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_U_iso_or_equiv
La   0.59784   0.00000   0.00000   0.00469
B   0.11100   0.00100   0.00000   0.00595
Si   0.58250   0.00000   0.49900   0.00507
O1   0.34300   0.19100   0.02700   0.00735
O2   0.19100   0.34300   0.30700   0.00684
O3   0.60300   0.46600   0.33000   0.00874
O4   0.46600   0.60300   0.00200   0.00874
O5   0.00000   0.03700   0.83300   0.02368
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 0.00442 0.00316 0.00581 0.00163 0.00000 0.00000
B 0.00506 0.00506 0.00760 0.00252 -0.00126 -0.00252
Si 0.00405 0.00632 0.00518 0.00291 0.00000 0.00000
O1 0.00506 0.00378 0.01013 0.00000 0.00252 -0.00252
O2 0.00378 0.00506 0.00885 0.00000 0.00252 -0.00252
O3 0.00506 0.01265 0.00760 0.00378 -0.00126 -0.00126
O4 0.01265 0.00506 0.00760 0.00378 0.00000 0.00126
O5 0.04052 0.01393 0.02533 0.02025 -0.02532 -0.01266