data_global
_chemical_name_mineral 'Yuanfuliite'
loop_
_publ_author_name
'Bigi S'
'Brigatti M F'
'Capedri S'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 1380
_journal_page_last 1388
_publ_section_title
;
 Crystal chemistry of Fe- and Cr-rich warwickite
 sample S5
;
_database_code_amcsd 0001392
_chemical_compound_source 'Jumilla, Murcia province, southeast Spain'
_chemical_formula_sum 'B Cr.04 Fe.65 Ti.15 Mg1.16 O4'
_cell_length_a 9.246
_cell_length_b 3.0993
_cell_length_c 9.378
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 268.737
_exptl_crystal_density_diffrn      3.672
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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_occupancy
B   0.16730   0.25000   0.87550   1.00000
Cr1   0.11495   0.25000   0.56951   0.04000
Fe1   0.11495   0.25000   0.56951   0.65000
Ti1   0.11495   0.25000   0.56951   0.15000
Mg1   0.11495   0.25000   0.56951   0.16000
Mg2   0.10218   0.25000   0.19058   1.00000
O1   0.02090   0.25000   0.86760   1.00000
O2   0.24670   0.25000   0.74810   1.00000
O3   0.23710   0.25000   0.00500   1.00000
O4   0.01010   0.25000   0.38340   1.00000
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
B 0.00217 0.00759 0.00891 0.00000 -0.00132 0.00000
Cr1 0.00693 0.00608 0.00668 0.00000 -0.00088 0.00000
Fe1 0.00693 0.00608 0.00668 0.00000 -0.00088 0.00000
Ti1 0.00693 0.00608 0.00668 0.00000 -0.00088 0.00000
Mg1 0.00693 0.00608 0.00668 0.00000 -0.00088 0.00000
Mg2 0.00433 0.00545 0.00579 0.00000 -0.00044 0.00000
O1 0.00563 0.00759 0.00891 0.00000 -0.00132 0.00000
O2 0.00693 0.00973 0.00936 0.00000 -0.00395 0.00000
O3 0.00693 0.01392 0.00802 0.00000 -0.00132 0.00000
O4 0.00780 0.01051 0.00668 0.00000 -0.00132 0.00000