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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/10/1511098.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_1511098
loop_
_publ_author_name
'von der Eltz, B.'
'Hoffmann, R.D.'
'Piotrowski, H.'
'Huppertz, H.'
_publ_section_title
;
 Multianvil high-pressure syntheses and crystal structures of the new
 rare-earth oxoborates chi-(Dy B O3) and chi-(Er B O3)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              203
_journal_page_last               212
_journal_paper_doi               10.1006/jssc.2002.9583
_journal_volume                  166
_journal_year                    2002
_chemical_formula_sum            'B Er O3'
_chemical_name_systematic        'Er (B O3)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.32
_cell_angle_beta                 85.54
_cell_angle_gamma                77.11
_cell_formula_units_Z            12
_cell_length_a                   7.181
_cell_length_b                   8.971
_cell_length_c                   9.802
_cell_volume                     607.852
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron0-1_196.cif
_cod_data_source_block           B1Er1O3
_cod_original_cell_volume        607.8522
_cod_original_formula_sum        'B1 Er1 O3'
_cod_database_code               1511098
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
O14 O-2 0.4349 0.5945 0.1485 1 0.0
Er6 Er+3 0.7383 0.4392 0.0291 1 0.0
O10 O-2 0.1664 0.3657 0.3035 1 0.0
O6 O-2 0.1537 0.0912 0.964 1 0.0
O16 O-2 0.4284 0.8732 0.0871 1 0.0
B2 B+3 0.1172 0.2571 0.9483 1 0.0
B4 B+3 0.1687 0.2715 0.2058 1 0.0
B5 B+3 0.5335 0.2206 0.6146 1 0.0
O12 O-2 0.2454 0.1159 0.2377 1 0.0
B3 B+3 0.7793 0.2186 0.3093 1 0.0
Er4 Er+3 0.0989 0.9316 0.1631 1 0.0
O4 O-2 0.0807 0.3362 0.0806 1 0.0
O5 O-2 0.8495 0.4127 0.535 1 0.0
O18 O-2 0.4716 0.3108 0.0724 1 0.0
O11 O-2 0.7529 0.3841 0.2651 1 0.0
Er2 Er+3 0.4333 0.4421 0.3426 1 0.0
Er3 Er+3 0.9008 0.5647 0.3293 1 0.0
O7 O-2 0.2694 0.8173 0.3636 1 0.0
O9 O-2 0.843 0.1291 0.1948 1 0.0
O17 O-2 0.5924 0.1836 0.3673 1 0.0
O3 O-2 0.9199 0.1611 0.4274 1 0.0
Er5 Er+3 0.25 0.0465 0.4779 1 0.0
B6 B+3 0.5226 0.7149 0.077 1 0.0
O2 O-2 0.9433 0.3193 0.8717 1 0.0
O8 O-2 0.2721 0.3233 0.8721 1 0.0
O15 O-2 0.5664 0.631 0.4169 1 0.0
O1 O-2 0.0633 0.1843 0.6302 1 0.0
B1 B+3 0.8916 0.2477 0.552 1 0.0
O13 O-2 0.4531 0.0952 0.6264 1 0.0
Er1 Er+3 0.574 0.0552 0.1557 1 0.0
