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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106418.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_2106418
loop_
_publ_author_name
'Prelesnik, B.'
'Herak, R.'
'Curic, M.'
_publ_section_title
;
 The crystal structure of orthorhombic barium dihydrogenphosphate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              76
_journal_page_last               78
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ba H4 O8 P2'
_chemical_name_systematic        'Ba (H2 P O4)2'
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.242
_cell_length_b                   7.793
_cell_length_c                   8.56
_cell_volume                     683.224
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Prelesnik_ACBCAR_1978_821.cif
_cod_data_source_block           H4Ba1O8P2
_cod_original_cell_volume        683.2242
_cod_original_formula_sum        'H4 Ba1 O8 P2'
_cod_database_code               2106418
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z+1/2
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z-1/2
x,-y-1/2,z-1/2
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
H1 H+1 -0.128 0.161 0.419 1 0.0
H2 H+1 0.1 -0.06 0.28 1 0.0
O2 O-2 -0.0714 0.2357 0.1194 1 0.0
O3 O-2 -0.1456 0.0944 0.3728 1 0.0
Ba1 Ba+2 0.25 0.25 0.09482 1 0.0
O1 O-2 -0.1414 -0.0807 0.1408 1 0.0
O4 O-2 0.0718 0.0323 0.2485 1 0.0
P1 P+5 -0.0755 0.0717 0.2104 1 0.0
