#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511472.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_1511472
loop_
_publ_author_name
'Thompson, P.D.'
'Keszler, D.A.'
_publ_section_title
;
 The pyroborate Sr2 Sc Li B4 O10, a new structural type
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              521
_journal_page_last               527
_journal_volume                  32
_journal_year                    1989
_chemical_formula_sum            'B4 Li O10 Sc Sr2'
_chemical_name_systematic        'Sr2 Sc Li (B4 O10)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.69
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.543
_cell_length_b                   5.2201
_cell_length_c                   13.635
_cell_volume                     797.637
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            boron4-x_101.cif
_cod_data_source_block           B4Li1O10Sc1Sr2
_cod_original_cell_volume        797.6375
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'B4 Li1 O10 Sc1 Sr2'
_cod_database_code               1511472
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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 0.5227 0.0741 0.3687 1 0.0
O8 O-2 0.5388 0.0727 0.1411 1 0.0
Sr2 Sr+2 0.6519 0.43554 0.62253 1 0.0
O10 O-2 0.7124 -0.0937 0.287 1 0.0
O2 O-2 0.885 0.1829 0.5064 1 0.0
Sc1 Sc+3 0.63442 0.4293 0.88182 1 0.0
B3 B+3 0.5922 -0.108 0.4498 1 0.0
B4 B+3 0.9237 0.419 0.5519 1 0.0
O1 O-2 0.644 0.1618 0.7697 1 0.0
O4 O-2 0.5487 0.6264 0.186 1 0.0
O5 O-2 0.5677 0.641 0.4381 1 0.0
B1 B+3 0.9147 0.44 0.7721 1 0.0
O6 O-2 0.8525 0.6285 0.5135 1 0.0
B2 B+3 0.602 0.859 0.2078 1 0.0
Sr1 Sr+2 0.68261 0.3808 0.35128 1 0.0
Li1 Li+1 0.1204 0.106 0.6002 1 0.0
O9 O-2 0.8667 0.212 0.7261 1 0.0
O3 O-2 0.6815 -0.0004 0.5397 1 0.0
