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: 425360
;
_database_code_amcsd 0006778
_chemical_compound_source 'Inglefield Land, North-West Greenland'
_chemical_formula_sum 'Mg.969 Al.283 Fe.665 Cr.005 Ti.077 B O4'
_cell_length_a 9.174
_cell_length_b 3.084
_cell_length_c 9.337
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 264.168
_exptl_crystal_density_diffrn      3.698
_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   0.11447   0.25000   0.56959   0.39500   0.00722
AlM1   0.11447   0.25000   0.56959   0.00300   0.00722
FeM1   0.11447   0.25000   0.56959   0.51400   0.00722
CrM1   0.11447   0.25000   0.56959   0.00500   0.00722
TiM1   0.11447   0.25000   0.56959   0.07700   0.00722
MgM2   0.10303   0.25000   0.19206   0.57400   0.00836
FeM2   0.10303   0.25000   0.19206   0.15100   0.00836
AlM2   0.10303   0.25000   0.19206   0.28000   0.00836
B   0.16580   0.25000   0.87560   1.00000   0.00811
O1   0.01900   0.25000   0.86770   1.00000   0.01317
O2   0.24670   0.25000   0.74950   1.00000   0.01241
O3   0.23570   0.25000   0.00750   1.00000   0.01089
O4   0.01170   0.25000   0.38320   1.00000   0.01013
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 0.00759 0.00633 0.00782 0.00000 -0.00087 0.00000
AlM1 0.00759 0.00633 0.00782 0.00000 -0.00087 0.00000
FeM1 0.00759 0.00633 0.00782 0.00000 -0.00087 0.00000
CrM1 0.00759 0.00633 0.00782 0.00000 -0.00087 0.00000
TiM1 0.00759 0.00633 0.00782 0.00000 -0.00087 0.00000
MgM2 0.00695 0.00785 0.01025 0.00000 0.00035 0.00000
FeM2 0.00695 0.00785 0.01025 0.00000 0.00035 0.00000
AlM2 0.00695 0.00785 0.01025 0.00000 0.00035 0.00000
B 0.00883 0.00772 0.00768 0.00000 -0.00087 0.00000
O1 0.00797 0.01899 0.01250 0.00000 -0.00113 0.00000
O2 0.01126 0.01786 0.00808 0.00000 0.00087 0.00000
O3 0.00947 0.01570 0.00746 0.00000 -0.00213 0.00000
O4 0.01151 0.01140 0.00733 0.00000 0.00161 0.00000