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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/1/53/05/1530541.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_1530541
loop_
_publ_author_name
'Palkina, K.K.'
'Mironova, V.S.'
'Maksimova, S.I.'
'Chibiskova, N.T.'
_publ_section_title
;
 Crystal structure of acid ytterbium hypophosphate Yb H P2 O6 (H2 O)3
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1889
_journal_page_last               1892
_journal_volume                  20
_journal_year                    1984
_chemical_formula_sum            'H7 O9 P2 Yb'
_chemical_name_systematic        'Yb H P2 O6 (H2 O)3'
_space_group_IT_number           34
_symmetry_space_group_name_Hall  'P -2n 2'
_symmetry_space_group_name_H-M   'P 2 n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.325
_cell_length_b                   9.36
_cell_length_c                   11.575
_cell_volume                     793.605
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Palkina_IVNMAW_1984_1111.cif
_cod_data_source_block           H7O9P2Yb1
_cod_original_cell_volume        793.6051
_cod_original_sg_symbol_Hall     'P 2 -2n (z,x,y)'
_cod_original_formula_sum        'H7 O9 P2 Yb1'
_cod_database_code               1530541
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x+1/2,-y+1/2,z+1/2
x+1/2,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
O2 O-2 0.636 0.69 0.162 1 0.0
O7 O-2 0.232 0.485 0.147 1 0.0
P2 P+4 0.65 0.224 0.088 1 0.0
O4 O-2 0.519 0.101 0.069 1 0.0
H4 H+1 0.139 0.485 0.183 1 0.0
O9 O-2 0.913 0.605 0.056 1 0.0
O1 O-2 0.554 0.353 0.121 1 0.0
O5 O-2 0.154 0.865 0.111 1 0.0
P1 P+4 0.781 0.272 0.921 1 0.0
Yb1 Yb+3 0 0.0192 0.2348 1 0.0
O6 O-2 0.218 0.182 0.173 1 0.0
H2 H+1 0.6 0 0 1 0.0
O8 O-2 0.87 0.148 0.068 1 0.0
O3 O-2 0.719 0.911 0.187 1 0.0
H3 H+1 0.333 0.146 0.201 1 0.0
H1 H+1 0.875 0.5 0 1 0.0
