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#$Date: 2015-10-10 08:08:03 +0300 (Sat, 10 Oct 2015) $
#$Revision: 165101 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/70/1537093.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_1537093
loop_
_publ_author_name
'Kruegermann, I.'
'Wickleder, M.S.'
_publ_section_title
;
 Synthesis and crystal structures of Er2 (Se O3)3 and Dy3 (Se O3)4 F
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              113
_journal_page_last               118
_journal_volume                  167
_journal_year                    2002
_chemical_formula_sum            'Er2 O9 Se3'
_chemical_name_systematic        'Er2 (Se O3)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.38
_cell_angle_beta                 70.13
_cell_angle_gamma                65.87
_cell_formula_units_Z            2
_cell_length_a                   6.982
_cell_length_b                   8.006
_cell_length_c                   8.95
_cell_volume                     419.804
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Kruegermann_JSSCBI_2002_135.cif
_cod_data_source_block           Er2O9Se3
_cod_original_cell_volume        419.8042
_cod_database_code               1537093
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
Se1 Se+4 0.1129 0.2429 0.5861 1 0.0
O6 O-2 0.833 0.4303 0.8822 1 0.0
O1 O-2 0.3409 0.254 0.4377 1 0.0
Se2 Se+4 0.8541 0.2474 0.0345 1 0.0
O4 O-2 0.9338 0.3048 0.1674 1 0.0
Er2 Er+3 0.66671 0.27064 0.41072 1 0.0
O5 O-2 0.5946 0.287 0.1481 1 0.0
O2 O-2 0.9654 0.2968 0.4462 1 0.0
O9 O-2 0.3482 0.2088 0.9463 1 0.0
O8 O-2 0.6407 0.0571 0.6942 1 0.0
Se3 Se+4 0.5718 0.2244 0.8015 1 0.0
O3 O-2 0.1574 0.0143 0.6554 1 0.0
Er1 Er+3 0.25922 0.26415 0.20101 1 0.0
O7 O-2 0.4838 0.4053 0.65 1 0.0
