data_global
_chemical_name_mineral 'Yuanfuliite'
loop_
_publ_author_name
'Appel P W U'
'Bigi S'
'Brigatti M F'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 11 
_journal_year 1999
_journal_page_first 483
_journal_page_last 491
_publ_section_title
;
 Crystal structure and chemistry of yuanfuliite
 and its relationships with warwickite
 Sample: 425359
;
_database_code_amcsd 0006777
_chemical_compound_source 'Inglefield Land, North-West Greenland'
_chemical_formula_sum 'Mg.963 Fe.717 Cr.018 Ti.07 Mn.005 Al.226 B O4'
_cell_length_a 9.198
_cell_length_b 3.091
_cell_length_c 9.355
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 265.972
_exptl_crystal_density_diffrn      3.719
_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
_atom_site_U_iso_or_equiv
MgM1   0.11469   0.25000   0.56943   0.37800   0.00633
FeM1   0.11469   0.25000   0.56943   0.52900   0.00633
CrM1   0.11469   0.25000   0.56943   0.01800   0.00633
TiM1   0.11469   0.25000   0.56943   0.07000   0.00633
MgM2   0.10299   0.25000   0.19214   0.58500   0.00773
FeM2   0.10299   0.25000   0.19214   0.18800   0.00773
MnM2   0.10299   0.25000   0.19214   0.00500   0.00773
AlM2   0.10299   0.25000   0.19214   0.22600   0.00773
B   0.16540   0.25000   0.87550   1.00000   0.00671
O1   0.01900   0.25000   0.86820   1.00000   0.01089
O2   0.24670   0.25000   0.74950   1.00000   0.01001
O3   0.23570   0.25000   0.00720   1.00000   0.00912
O4   0.01100   0.25000   0.38310   1.00000   0.00874
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
MgM1 0.00733 0.00545 0.00621 0.00000 -0.00113 0.00000
FeM1 0.00733 0.00545 0.00621 0.00000 -0.00113 0.00000
CrM1 0.00733 0.00545 0.00621 0.00000 -0.00113 0.00000
TiM1 0.00733 0.00545 0.00621 0.00000 -0.00113 0.00000
MgM2 0.00669 0.00734 0.00896 0.00000 0.00035 0.00000
FeM2 0.00669 0.00734 0.00896 0.00000 0.00035 0.00000
MnM2 0.00669 0.00734 0.00896 0.00000 0.00035 0.00000
AlM2 0.00669 0.00734 0.00896 0.00000 0.00035 0.00000
B 0.00746 0.00633 0.00621 0.00000 -0.00139 0.00000
O1 0.00630 0.01532 0.01086 0.00000 -0.00100 0.00000
O2 0.00934 0.01570 0.00519 0.00000 0.00148 0.00000
O3 0.00849 0.01330 0.00581 0.00000 -0.00201 0.00000
O4 0.00999 0.01013 0.00607 0.00000 0.00139 0.00000