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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538561.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_1538561
loop_
_publ_author_name
'Jacobs, H.'
'Schardey, A.'
'Harbrecht, B.'
_publ_section_title
;
 Neue ternaere Alkalimetallhydroxide, M Li2 (O H)3 mit M = K, Rb, Cs sowie
 ein Caesiumdilithiumamid, Cs Li2 (N H2)3 - Strukturverwandtschaft zum Ba
 Ni O3 - Typ und zu Li O H
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              43
_journal_page_last               56
_journal_volume                  555
_journal_year                    1987
_chemical_formula_sum            'Cs H3 Li2 O3'
_chemical_name_systematic        'Cs Li2 (O H)3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.02
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.519
_cell_length_b                   5.271
_cell_length_c                   6.401
_cell_volume                     210.316
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jacobs_ZAACAB_1987_1834.cif
_cod_data_source_block           H3Cs1Li2O3
_cod_original_cell_volume        210.3157
_cod_original_formula_sum        'H3 Cs1 Li2 O3'
_cod_database_code               1538561
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
H1 H+1 0.71 0.25 0.87 1 0.0
Cs1 Cs+1 0.15071 0.25 0.26866 1 0.0
O1 O-2 0.5943 0.25 0.9308 1 0.0
O3 O-2 0.6782 0.25 0.4077 1 0.0
O2 O-2 0.1241 0.25 0.786 1 0.0
H2 H+1 0.04 0.25 0.68 1 0.0
H3 H+1 0.64 0.25 0.49 1 0.0
Li1 Li+1 0.653 -0.003 0.184 1 0.0
