#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/00/2310096.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310096
loop_
_publ_author_name
'Graf, D.L.'
'Bradley, W.F.'
'Roth, R.S.'
_publ_section_title
;
 The vaterite-type A B O3 rare-earth borates
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              283
_journal_page_last               287
_journal_paper_doi               10.1107/S0365110X66000549
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'B O3 Yb'
_chemical_name_systematic        'Yb (B O3)'
_space_group_IT_number           188
_symmetry_space_group_name_Hall  'P -6c 2'
_symmetry_space_group_name_H-M   'P -6 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.46
_cell_length_b                   6.46
_cell_length_c                   8.74
_cell_volume                     315.869
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            boron0-1_413.cif
_cod_data_source_block           B1O3Yb1
_cod_original_cell_volume        315.8691
_cod_original_formula_sum        'B1 O3 Yb1'
_cod_database_code               2310096
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z+1/2
-y,x-y,z
x,y,-z+1/2
-x+y,-x,z
-y,x-y,-z+1/2
-y,-x,-z
-x+y,y,z+1/2
x,x-y,-z
-y,-x,z+1/2
-x+y,y,-z
x,x-y,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 0.3333 0.047 0.117 1 0.0
Yb3 Yb+3 0 0 0 1 0.0
Yb2 Yb+3 0.6667 0.3333 0 1 0.0
Yb1 Yb+3 0.3333 0.6667 0 1 0.0
O1 O-2 0.3333 0.44 0.25 1 0.0
B1 B+3 0.3333 0.1 0.25 1 0.0
