#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/21/2012121.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_2012121
loop_
_publ_author_name
'Bern\`es, Sylvain'
'Trujillo Tovar, Sonia'
'Castellanos R., Mar\'ia A.'
_publ_section_title
;
Li~3~SbO~4~, a comparison of the X-ray single-crystal structure with the
Rietveld refinement
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              883
_journal_page_last               884
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'Li3 Sb O4'
_chemical_formula_moiety         'Li3 Sb O4'
_chemical_formula_sum            'Li3 O4 Sb'
_chemical_formula_weight         206.57
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.859(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.1456(5)
_cell_length_b                   6.0794(5)
_cell_length_c                   5.1291(6)
_cell_measurement_temperature    293(2)
_cell_volume                     151.84(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.518
_exptl_crystal_density_meas      4.354
_[local]_cod_cif_authors_sg_H-M  'P 2/c'
_[local]_cod_chemical_formula_sum_orig 'Li3 Sb O4'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2012121
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Sb1 .0000 .14338(5) .2500 .00466(15) Uani d S 1 . . Sb
O1 .2214(5) .1021(4) -.0036(5) .0077(5) Uani d . 1 . . O
O2 -.2455(5) .3591(4) .0231(5) .0083(5) Uani d . 1 . . O
Li1 .0000 .6161(15) .2500 .019(2) Uani d S 1 . . Li
Li2 -.5000 .1485(15) -.2500 .019(2) Uani d S 1 . . Li
Li3 -.5000 .4227(19) .2500 .0194(19) Uani d S 1 . . Li
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
Sb1 .00534(19) .00371(19) .00469(19) .000 .00130(11) .000
O1 .0077(11) .0072(12) .0088(11) -.0005(9) .0034(9) -.0024(8)
O2 .0086(11) .0062(11) .0074(11) .0012(9) -.0011(9) .0017(8)
Li1 .026(5) .009(5) .019(5) .000 .002(4) .000
Li2 .015(5) .011(4) .030(5) .000 .007(4) .000
Li3 .018(5) .025(5) .020(4) .000 .013(4) .000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sb1 O2 2 1.929(2) no
Sb1 O2 . 1.929(2) y
Sb1 O1 2 2.003(2) no
Sb1 O1 . 2.003(2) y
Sb1 O1 3 2.047(2) y
Sb1 O1 4_556 2.047(2) no
O1 Sb1 3 2.047(2) n
O1 Li2 3 2.205(6) n
O1 Li1 3_565 2.214(7) n
O1 Li2 1_655 2.214(3) n
O1 Li3 1_655 2.518(9) n
O2 Li2 . 2.032(6) n
O2 Li3 . 2.050(3) n
O2 Li3 3_465 2.062(8) n
O2 Li1 . 2.107(7) n
O2 Li1 3_565 2.174(3) n
Li1 O2 2 2.107(7) y
Li1 O2 4_566 2.174(3) y
Li1 O2 3_565 2.174(3) n
Li1 O1 4_566 2.214(7) y
Li1 O1 3_565 2.214(7) n
Li2 O2 2_454 2.032(6) y
Li2 O1 4_455 2.205(6) n
Li2 O1 3 2.205(6) y
Li2 O1 1_455 2.214(3) n
Li2 O1 2_554 2.214(3) y
Li3 O2 2_455 2.050(3) y
Li3 O2 4_566 2.062(8) y
Li3 O2 3_465 2.062(8) n
Li3 O1 1_455 2.518(9) n
Li3 O1 2 2.518(9) y