#------------------------------------------------------------------------------
#$Date: 2016-09-18 19:34:50 +0200 (dom 18 de sep de 2016) $
#$Revision: 186638 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/78/1527870.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_1527870
loop_
_publ_author_name
'Nielsen, B.R.'
'Hazell, R.G.'
'Rasmussen, S.E.'
_publ_section_title
;
 The crystal structure of barium tellurite monohydrate, Ba Te O3 H2 O
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              3037
_journal_page_last               3042
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'Ba H2 O4 Te'
_chemical_name_systematic        'Ba Te O3 H2 O'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.03
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.58
_cell_length_b                   7.53
_cell_length_c                   7.7
_cell_volume                     478.134
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Nielsen_ACSAA4_1971_1179.cif
_cod_data_source_block           H2Ba1O4Te1
_cod_original_cell_volume        478.1337
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'H2 Ba1 O4 Te1'
_cod_database_code               1527870
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
O2 O-2 0.2029 0.0986 0.2808 1 0.0 0
O3 O-2 -0.1348 -0.0024 0.2026 1 0.0 0
O4 O-2 0.1381 0.6053 0.3582 1 0.0 2
Te1 Te+4 0.0042 0.1868 0.2888 1 0.0 0
O1 O-2 -0.047 0.3159 0.0749 1 0.0 0
Ba1 Ba+2 0.3323 0.8491 0.1175 1 0.0 0
