data_global
_chemical_name_mineral 'Zangboite'
loop_
_publ_author_name
'Li G'
'Fang Q'
'Shi N'
'Bai W'
'Yang J'
'Xiong M'
'Ma Z'
'Rong H'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 47 
_journal_year 2009
_journal_page_first 1265
_journal_page_last 1274
_publ_section_title
;
 Zangboite, TiFeSi2, a new mineral species from Luobusha, Tibet, China,
 and its crystal structure
;
_database_code_amcsd 0006308
_chemical_compound_source 'Luobusha, Tibet, China'
_chemical_formula_sum 'Fe Ti Si2'
_cell_length_a 8.6053
_cell_length_b 9.5211
_cell_length_c 7.6436
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 626.255
_exptl_crystal_density_diffrn      5.088
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.00000   0.50000   0.74258
Fe2  -0.08868   0.24294   0.74824
Ti1   0.32719   0.54777   0.73815
Ti2   0.16749   0.32052   0.50000
Si1   0.12725   0.60427   0.50000
Si2   0.12376   0.59728   0.00000
Si3  -0.03839   0.11931   0.50000
Si4  -0.33705   0.18159   0.84647
Si5  -0.03895   0.12131   0.00000
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
Fe1 0.00620 0.00400 0.00600 0.00030 0.00000 0.00000
Fe2 0.00540 0.00509 0.00480 -0.00035 -0.00004 0.00009
Ti1 0.00380 0.00440 0.00650 0.00007 0.00010 -0.00019
Ti2 0.00470 0.00330 0.00570 0.00020 0.00000 0.00000
Si1 0.00590 0.00680 0.00540 0.00060 0.00000 0.00000
Si2 0.00940 0.00850 0.00590 0.00100 0.00000 0.00000
Si3 0.00560 0.00500 0.00570 0.00080 0.00000 0.00000
Si4 0.00540 0.00700 0.00530 -0.00020 0.00010 -0.00010
Si5 0.01430 0.00600 0.00500 0.00180 0.00000 0.00000