#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/97/1539748.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_1539748
loop_
_publ_author_name
'Deiseroth, H.J.'
'Binder, H.'
'Sommer, O.'
'Wolfer, K.'
'Frei, B.'
_publ_section_title
;
 Cs B3 H8: Kristallstruktur und Optimierung der Synthese
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              21
_journal_page_last               28
_journal_volume                  571
_journal_year                    1989
_chemical_formula_sum            'B3 Cs H8'
_chemical_name_systematic        'Cs (B3 H8)'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8723
_cell_length_b                   8.6692
_cell_length_c                   7.4299
_cell_volume                     571.476
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Deiseroth_ZAACAB_1989_1181.cif
_cod_data_source_block           H8B3Cs1
_cod_original_cell_volume        571.4763
_cod_original_formula_sum        'H8 B3 Cs1'
_cod_database_code               1539748
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y,z
x+1/2,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
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
H5 H-1 0.116 0.341 0.003 1 0.0
B1 B+2 0.3533 0.226 0.984 1 0.0
H2 H-1 0.112 0.171 0.862 1 0.0
H1 H-1 0.114 0.168 0.135 1 0.0
Cs1 Cs+1 0.25 0.82249 0 1 0.0
H3 H-1 0.25 0.475 0.868 1 0.0
H4 H-1 0.25 0.475 0.131 1 0.0
B2 B+2 0.25 0.401 0.008 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047468
