#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/12/1511201.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_1511201
loop_
_publ_author_name
'Kuchinke, J.'
'Krebs, B.'
'Jansen, C.'
'Lindemann, A.'
_publ_section_title
;
 Syntheses and crystal structures of the novel thioborates Na3 B S3, K3 B
 S3, and Rb3 B S3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              896
_journal_page_last               902
_journal_paper_doi
10.1002/1521-3749(200105)627:5<896::AID-ZAAC896>3.0.CO;2-W
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'B K3 S3'
_chemical_name_systematic        'K3 (B S3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.973
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.061
_cell_length_b                   6.2095
_cell_length_c                   12.538
_cell_volume                     721.172
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_309.cif
_cod_data_source_block           B1K3S3
_cod_original_cell_volume        721.1721
_cod_original_formula_sum        'B1 K3 S3'
_cod_database_code               1511201
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
S2 S-2 0.15709 0.32366 0.10716 1 0.0
K1 K+1 0.10324 0.05111 0.34974 1 0.0
K3 K+1 0.46437 0.22215 0.09001 1 0.0
K2 K+1 0.77321 0.33 0.39382 1 0.0
S1 S-2 0.21446 0.56926 0.34011 1 0.0
B1 B+3 0.2688 0.366 0.2593 1 0.0
S3 S-2 0.42504 0.1978 0.33173 1 0.0
