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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/1/53/84/1538455.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_1538455
loop_
_publ_author_name
'Palkina, K.K.'
'Kuz'mina, N.E.'
'Selevich, A.F.'
'Lesnikovich, A.I.'
_publ_section_title
;
 Synthesis and crystal structure of acid polyphosphates Ln H (P O3)4 (Ln=
 Sm, Eu)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              208
_journal_page_last               212
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'H O12 P4 Sm'
_chemical_name_systematic        'Sm H (P O3)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.83
_cell_angle_beta                 112.46
_cell_angle_gamma                107.36
_cell_formula_units_Z            2
_cell_length_a                   7.127
_cell_length_b                   8.596
_cell_length_c                   8.89
_cell_volume                     457.772
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Palkina_ZNOKAQ_2003_431.cif
_cod_data_source_block           H1O12P4Sm1
_cod_original_cell_volume        457.7715
_cod_original_formula_sum        'H1 O12 P4 Sm1'
_cod_database_code               1538455
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
O5 O-2 0.102 0.5652 0.6988 1 0.0
P2 P+5 0.0755 0.3828 0.6592 1 0.0
O11 O-2 -0.192 0.1939 0.9707 1 0.0
P3 P+5 0.2143 0.1919 0.8962 1 0.0
O10 O-2 0.453 0.2295 0.9024 1 0.0
O9 O-2 0.248 0.2164 0.0742 1 0.0
O12 O-2 -0.563 -0.064 0.8124 1 0.0
O2 O-2 -0.5607 0.2316 0.404 1 0.0
O7 O-2 0.171 0.3481 0.84 1 0.0
O3 O-2 -0.466 0.1397 0.6637 1 0.0
P4 P+5 -0.4265 0.127 0.8461 1 0.0
Sm1 Sm+3 0.0935 0.2647 0.2599 1 0.0
H1 H+1 -0.445 -0.0675 0.7683 1 0.0
O4 O-2 -0.1803 0.258 0.5731 1 0.0
P1 P+5 -0.3873 0.2848 0.5822 1 0.0
O8 O-2 0.053 0.0267 0.7649 1 0.0
O1 O-2 -0.319 0.4557 0.6994 1 0.0
O6 O-2 0.169 0.3186 0.5519 1 0.0
