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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/63/2106383.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_2106383
loop_
_publ_author_name
'Loub, J.'
'Podlahova, J.'
'Jecny, J.'
_publ_section_title
;
 The crystal structure of cadmium dihydrogenphosphite monohydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              32
_journal_page_last               34
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Cd H6 O7 P2'
_chemical_name_systematic        'Cd (H2 P O3)2 (H2 O)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.7
_cell_angle_beta                 110.69
_cell_angle_gamma                95.26
_cell_formula_units_Z            2
_cell_length_a                   6.772
_cell_length_b                   7.523
_cell_length_c                   7.982
_cell_volume                     335.126
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Loub_ACBCAR_1978_814.cif
_cod_data_source_block           H6Cd1O7P2
_cod_original_cell_volume        335.1257
_cod_original_formula_sum        'H6 Cd1 O7 P2'
_cod_database_code               2106383
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Cd1 Cd+2 0.42404 0.23195 0.12117 1 0.0
O3 O-2 0.2483 0.2318 0.8207 1 0.0
O5 O-2 0.1101 0.2454 0.1711 1 0.0
H1 H+1 0.8 0.3 0.46 1 0.0
H5 H+1 0.36 0.08 0.57 1 0.0
H6 H+1 0.88 0.44 0.1 1 0.0
H2 H+1 0.62 0.35 0.55 1 0.0
H3 H+1 0.02 0.15 0.82 1 0.0
P2 P+3 0.8888 0.2456 0.0337 1 0.0
P1 P+3 0.3105 0.2486 0.6625 1 0.0
O4 O-2 0.6934 0.1216 0.0259 1 0.0
O2 O-2 0.4913 0.427 0.7313 1 0.0
O1 O-2 0.0918 0.2379 0.4964 1 0.0
H4 H+1 0.1 0.23 0.36 1 0.0
O7 O-2 0.6464 0.2712 0.4317 1 0.0
O6 O-2 0.8679 0.1746 0.8144 1 0.0
