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#$Date: 2016-11-06 03:54:49 +0200 (Sun, 06 Nov 2016) $
#$Revision: 187938 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/45/1544509.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_1544509
loop_
_publ_author_name
'Kumada, N.'
'Kumon, J.'
'Miyagawa, K.'
'Yonesaki, Y.'
'Takei, T.'
'Kinomura, N.'
'Wang, D.'
'Yu, R.'
_publ_section_title
;
 Preparation and crystal structure of [enH2]0.5[Ho(HPO4)(SO4)(H2O)] (en;
 ethylenediamine)
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              236
_journal_page_last               240
_journal_volume                  118
_journal_year                    2010
_chemical_formula_sum            'C H8 Ho N O9 P S'
_chemical_name_common            HoPSO9H8NC
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 88.12(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.938(5)
_cell_length_b                   6.834(3)
_cell_length_c                   9.100(2)
_cell_volume                     804.2(5)
_cod_data_source_file            HoPSO9H8NC.cif
_cod_data_source_block           HoPSO9H8NC
_cod_original_formula_sum        'Ho P S O9 H8 N C'
_cod_database_code               1544509
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Ho 1.0 0.31458(4) 0.25050(10) 0.43920(6) Biso 0.578073 Ho
S 1.0 0.3028(4) 0.0910(5) 0.8101(4) Biso 0.995671 S
P 1.0 0.0817(2) 0.2448(8) 0.5272(4) Biso 0.635019 P
O1 1.0 0.3496(7) -0.0760(10) 0.4950(10) Biso 1.687304 O
O2 1.0 0.3443(7) 0.576(2) 0.5170(10) Biso 1.180159 O
O3 1.0 0.4902(7) 0.255(2) 0.4325(9) Biso 1.100947 O
O4 1.0 0.0473(7) 0.222(2) 0.6900(10) Biso 1.858245 O
O5 1.0 0.3089(7) 0.241(2) 0.6935(9) Biso 1.132452 O
O6 1.0 0.2580(9) 0.183(2) 0.9440(10) Biso 0.981481 O
O7 1.0 0.4076(8) 0.017(2) 0.8330(10) Biso 0.691916 O
O8 1.0 0.2648(7) 0.4260(10) 0.2390(10) Biso 2.162867 O
O9 1.0 0.3367(9) 0.072(2) 0.2130(10) Biso 2.033806 O
C 1.0 0.4950(10) 0.410(2) 0.051(2) Biso 1.492500 C
N 1.0 0.0900(10) 0.105(2) 0.139(2) Biso 2.730994 N
