#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/42/1534268.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_1534268
loop_
_publ_author_name
'Binas, H.'
_publ_section_title
;
 Die Struktur des Sr-Haidingerits Sr H As O4 (H2 O)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              140
_journal_page_last               144
_journal_volume                  347
_journal_year                    1966
_chemical_formula_sum            'As H3 O5 Sr'
_chemical_name_systematic        'Sr (H As O4) (H2 O)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.398
_cell_length_b                   14.286
_cell_length_c                   8.437
_cell_volume                     891.688
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Binas_ZAACAB_1966_1884.cif
_cod_data_source_block           H3As1O5Sr1
_cod_original_cell_volume        891.6882
_cod_original_sg_symbol_Hall     '-P 2ac 2ab (z,y,-x)'
_cod_original_formula_sum        'H3 As1 O5 Sr1'
_cod_database_code               1534268
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z
-x,-y,-z
-x-1/2,y,z-1/2
x,y-1/2,-z-1/2
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
O4 O-2 0.215 0.213 0.162 1 0.0
Sr1 Sr+2 0.139 0.42 0.182 1 0.0
O3 O-2 0.068 0.16 0.888 1 0.0
O1 O-2 0.327 0.041 0.058 1 0.0
O5 O-2 0.134 0.343 0.893 1 0.0
O2 O-2 -0.017 0.057 0.158 1 0.0
As1 As+5 0.145 0.112 0.054 1 0.0
