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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/8/10/37/8103790.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_8103790
loop_
_publ_author_name
'Ivashkevich, L.S.'
'Petrusevich, Yu.I.'
'Lyakhov, A.S.'
'Selevich, A.F.'
_publ_section_title
;
 The crystal structure of Er (H P O4) (N O3) * 3(H2 O): ab initio
 determination from X-ray powder diffraction data
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              475
_journal_page_last               479
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'Er H7 N O10 P'
_chemical_name_systematic        'Er (H P O4) (N O3) (H2 O)3'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1653
_cell_length_b                   11.9178
_cell_length_c                   6.8533
_cell_volume                     830.264
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Ivashkevich_ZEKRDZ_2003_1135.cif
_cod_data_source_block           H7Er1N1O10P1
_cod_original_cell_volume        830.2637
_cod_original_formula_sum        'H7 Er1 N1 O10 P1'
_cod_database_code               8103790
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,z
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
O7 O-2 0.391 0.25 0.75 1 0.0
P1 P+5 0.366 0.3765 0.75 1 0.0
Er1 Er+3 0.453 0.0671 0.75 1 0.0
O4 O-2 0.32 0.897 0.75 1 0.0
O8 O-2 0.218 0.374 0.75 1 0.0
O3 O-2 0.66 0.168 0.75 1 0.0
N1 N+5 0.214 -0.062 0.75 1 0.0
O9 O-2 0.415 0.426 0.969 1 0.0
O5 O-2 0.212 0.04 0.75 1 0.0
O1 O-2 0.048 0.25 0 1 0.0
O6 O-2 0.095 -0.091 0.75 1 0.0
O2 O-2 -0.066 0.112 0.75 1 0.0
