#------------------------------------------------------------------------------
#$Date: 2009-07-03 11:54:39 +0300 (Fri, 03 Jul 2009) $
#$Revision: 777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/4000211.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4000211
_journal_name_full 'Chemistry of Materials'
_journal_year    2002
_publ_section_title
;
GdB5O9
;
_chemical_formula_sum  'Gd B5 O9'
_refine_ls_shift/esd_max               5.68
_refine_ls_shift/esd_mean              0.33
_refine_ls_number_parameters           26
_refine_ls_goodness_of_fit_all         1.94
_pd_phase_name                         GdB5O9
_symmetry_cell_setting                 tetragonal
_symmetry_space_group_name_H-M         'I 41/a c d'
_cell_length_a                         8.23813(6)
_cell_length_b                         8.23813
_cell_length_c                         33.6377(4)
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.0
_cell_angle_gamma                      90.0
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z -y+1/4,+x+3/4,+z+1/4 -x+1/2,-y,+z+1/2 +y+1/4,-x+1/4,+z+3/4
-x,+y,+z+1/2 -y+1/4,-x+3/4,+z+3/4 +x+1/2,-y,+z +y+1/4,+x+1/4,+z+1/4 -x,-y,-z
+y+3/4,-x+1/4,-z+3/4 +x+1/2,+y,-z+1/2 -y+3/4,+x+3/4,-z+1/4 +x,-y,-z+1/2
+y+3/4,+x+1/4,-z+1/4 -x+1/2,+y,-z -y+3/4,-x+3/4,-z+3/4 +x+1/2,+y+1/2,+z+1/2
-y+3/4,+x+1/4,+z+3/4 -x,-y+1/2,+z +y+3/4,-x+3/4,+z+1/4 -x+1/2,+y+1/2,+z
-y+3/4,-x+1/4,+z+1/4 +x,-y+1/2,+z+1/2 +y+3/4,+x+3/4,+z+3/4
-x+1/2,-y+1/2,-z+1/2 +y+1/4,-x+3/4,-z+1/4 +x,+y+1/2,-z -y+1/4,+x+1/4,-z+3/4
+x+1/2,-y+1/2,-z +y+1/4,+x+3/4,-z+3/4 -x,+y+1/2,-z+1/2 -y+1/4,-x+1/4,-z+1/4
loop_
 _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
Gd1     0.0          0.0          0.193806(21  1.0        Uiso   0.00176(14)  16
O1     -0.5289(11)   0.2036(17)   0.17275(24)  1.0        Uiso   0.0030(8)    32
O2      0.5          0.0          0.12439(19)  1.0        Uiso   0.0030(8)    16
O3     -0.3001(17)   0.0298(12)   0.17786(24)  1.0        Uiso   0.0030(8)    32
O4     -0.1229(6)    0.1229(6)    0.25         1.0        Uiso   0.0030(8)    16
O5      0.25         0.1648(11)   0.125        1.0        Uiso   0.0030(8)    16
O6      0.1645(8)    0.2392(7)    0.21743(18)  1.0        Uiso   0.0030(8)    32
B1     -0.2328(16)   0.2328(16)   0.25         1.0        Uiso   0.0061(25)   16
B2     -0.6287(21)   0.0912(20)   0.1462(4)    1.0        Uiso   0.0061(25)   32
B3     -0.3916(18)   0.1557(15)   0.1897(5)    1.0        Uiso   0.0061(25)   32