#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000737.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000737
loop_
_publ_author_name
'Morris, R.'
'Harrison, W. T. A.'
'Stucky, G. D.'
'Cheetham, A. K.'
_publ_section_title
;
 The synthesis and crystal structure of LaHSe~2~O~6~, a layered
 anhydrous selenite
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1182
_journal_page_last               1185
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'H La O6 Se2'
_[local]_cod_chemical_formula_sum_orig 'H1 La1 O6 Se2'
_chemical_formula_weight         393.83
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2bc -2c'
_symmetry_space_group_name_H-M   'P c 21 b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.139(6)
_cell_length_b                   19.008(9)
_cell_length_c                   8.469(9)
_cell_volume                     1149.2
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    19.901
_exptl_crystal_density_diffrn    4.552
_exptl_crystal_F_000             1392
_[local]_cod_data_source_file    cr0356.cif
_[local]_cod_data_source_block   cr0356a
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
La(1) .4190(2) .412(2) .8434(2) .0082
La(2) .9173(2) .501(2) .9474(2) .0082
Se(1) .9347(4) .360(2) .6925(4) .0083
Se(2) .4303(4) .553(2) 1.0945(4) .0088
Se(3) .4391(5) .262(2) .6264(4) .0139
Se(4) .9217(5) .652(2) 1.1708(4) .0144
O(1) .768(4) .392(3) .817(3) .0092
O(2) .137(4) .382(3) 1.009(3) .0154
O(3) .817(5) .637(3) .997(3) .0227
O(4) .639(4) .531(3) .777(3) .0156
O(5) .406(3) .487(3) .575(3) .0094
O(6) .265(4) .521(3) .971(3) .0182
O(7) .367(5) .275(3) .811(3) .0144
O(8) .672(4) .236(2) .666(3) .0151
O(9) .528(4) .347(2) 1.082(3) .0116
O(10) 1.129(6) .688(3) 1.089(4) .0305
O(11) .096(3) .429(2) .715(3) .0061
O(12) 1.016(4) .571(3) .711(3) .0087
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
La(1) O(1) 2.53(2)
La(1) O(2) 2.52(3)
La(1) O(4) 2.81(3)
La(1) O(5) 2.69(3)
La(1) O(5) 2.73(2)
La(1) O(6) 2.59(3)
La(1) O(7) 2.65(3)
La(1) O(9) 2.49(3)
La(1) O(9) 2.56(3)
La(1) O(11) 2.57(2)
La(2) O(1) 2.57(3)
La(2) O(2) 2.80(3)
La(2) O(3) 2.73(3)
La(2) O(4) 2.52(3)
La(2) O(5) 2.56(2)
La(2) O(6) 2.52(3)
La(2) O(11) 2.71(2)
La(2) O(11) 2.65(2)
La(2) O(12) 2.51(2)
La(2) O(12) 2.65(3)
Se(1) O(1) 1.70(2)
Se(1) O(2) 1.69(3)
Se(1) O(11) 1.75(2)
Se(2) O(4) 1.68(3)
Se(2) O(5) 1.73(2)
Se(2) O(6) 1.69(3)
Se(3) O(7) 1.67(3)
Se(3) O(8) 1.77(3)
Se(3) O(9) 1.68(3)
Se(4) O(3) 1.67(3)
Se(4) O(10) 1.77(3)
Se(4) O(12) 1.64(3)
_cod_database_code 2000737