#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/4/4000272.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_4000272
_journal_name_full 'Chemistry of Materials'
_journal_year    2003
_publ_section_title
;
LaB5O9
;
_chemical_formula_sum     'La B5 O9'
_pd_phase_name                         LaB5O9
_symmetry_cell_setting                 monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
   +x,+y,+z -x,+y+1/2,-z+1/2
   -x,-y,-z +x,-y+1/2,+z+1/2
_cell_length_a                         6.44180(14)
_cell_length_b                         11.68883(26)
_cell_length_c                         8.17062(18)
_cell_angle_alpha                      90.0
_cell_angle_beta                       105.1670(8)
_cell_angle_gamma                      90.0
_refine_ls_shift/esd_max               2.93
_refine_ls_shift/esd_mean              0.45
_refine_ls_number_parameters           46
_refine_ls_goodness_of_fit_all         2.31
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
La1     0.75130(18)  0.17429(9)   0.14304(14)  1.0        Uiso   0.01294       4
O1     -0.4162(16)  -0.1150(8)    0.0706(12)   1.0        Uiso   0.01292       4
O2      0.5972(16)   0.0091(8)    0.3053(11)   1.0        Uiso   0.01292       4
O3      0.2834(17)  -0.0979(8)    0.1756(11)   1.0        Uiso   0.01292       4
O4     -0.0697(15)  -0.0264(8)    0.1580(11)   1.0        Uiso   0.01292       4
O5      0.7624(14)   0.3398(8)   -0.0447(10)   1.0        Uiso   0.01292       4
O6      0.2224(16)   0.0185(8)    0.4033(11)   1.0        Uiso   0.01292       4
O7     -0.4095(16)  -0.2001(8)    0.3391(11)   1.0        Uiso   0.01292       4
O8     -0.1399(14)  -0.3429(9)    0.4349(11)   1.0        Uiso   0.01292       4
O9     -0.1144(16)  -0.2220(7)    0.2173(12)   1.0        Uiso   0.01292       4
B1      0.1498(33)  -0.0332(16)   0.2435(22)   1.0        Uiso   0.0174        4
B2      0.7090(33)   0.4459(15)  -0.0408(24)   1.0        Uiso   0.0174        4
B3      0.524(4)    -0.0995(16)   0.2303(25)   1.0        Uiso   0.0174        4
B4     -0.1908(32)  -0.1332(16)   0.0907(25)   1.0        Uiso   0.0174        4
B5     -0.222(4)    -0.2506(15)   0.3295(26)   1.0        Uiso   0.0174        4