data_global
_amcsd_formula_title 'YbMnO3'
loop_
_publ_author_name
'Van Aken B B'
'Meetsma A'
'Palstra T T M'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 57 
_journal_year 2001
_journal_page_first i87
_journal_page_last i89
_publ_section_title
;
 Hexagonal YbMnO3 revisited
;
_database_code_amcsd 0010363
_chemical_formula_sum 'Yb Mn O3'
_cell_length_a 6.0584
_cell_length_b 6.0584
_cell_length_c 11.3561
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 360.974
_exptl_crystal_density_diffrn      7.617
_symmetry_space_group_name_H-M 'P 63 c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x+y,-x,z'
  'y,x,z'
  'y,-x+y,1/2+z'
  '-x+y,y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Yb1   0.00000   0.00000   0.27336   0.00427
Yb2   0.33333   0.66667   0.23061   0.00472
Mn   0.33330   0.00000  -0.00194   0.00540
O1   0.30300   0.00000   0.16170   0.00390
O2   0.36100   0.00000  -0.16580   0.00740
O3   0.00000   0.00000  -0.02680   0.00400
O4   0.33333   0.66667   0.01920   0.00590
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
Yb1 0.00470 0.00470 0.00350 0.00230 0.00000 0.00000
Yb2 0.00350 0.00360 0.00710 0.00180 0.00000 0.00000
Mn 0.00690 0.00480 0.00390 0.00240 0.00020 0.00000
O1 0.00500 0.00170 0.00410 0.00090 -0.00190 0.00000
O2 0.01400 0.00010 0.00330 0.00000 0.00020 0.00000
O3 0.00300 0.00300 0.00500 0.00160 0.00000 0.00000
O4 0.00900 0.00900 0.00000 0.00470 0.00000 0.00000