#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/10/2101048.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_2101048
loop_
_publ_author_name
'Bieniok, A.'
'Baur, W. H.'
_publ_section_title
;
 Phase transition of zeolite NH₄-Rho to a high-temperature but
 low-volume form
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              817
_journal_page_last               822
_journal_paper_doi               10.1107/S0108768193003568
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Al12 Cs H44 N11 O96 Si36'
_chemical_formula_weight         3087.48
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   14.8168(2)
_cell_length_b                   14.8168(2)
_cell_length_c                   14.8168(2)
_cell_volume                     3252.84(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_density_diffrn    1.576
_cod_data_source_file            sh0025.cif
_cod_data_source_block           sh0025b
_cod_original_cell_volume        3253
_cod_original_formula_sum        'H44 Al12 Cs N11 O96 Si36'
_cod_database_code               2101048
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si .2632(2) .1136(2) .4134(2)
O(1) .2080(4) .0222(4) .3900(4)
O(2) .2020(4) .2020(4) .3827(8)
O(3) .1392(4) .1392(4) .6162(6)
Cs .0 .0 .520(4)
N .0 .0 .399(2)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O(1) Si O(3) 111.3(3)
O(1) Si O(2) 109.0(4)
O(1) Si O(1) 108.0(3)
O(3) Si O(2) 109.5(4)
O(3) Si O(1) 103.5(4)
O(2) Si O(1) 115.5(5)
So O(1) Si' 133.3(4)
Si O(2) Si' 142.2(7)
Si O(3) Si' 146.5(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Si O(1) 1.620(7)
Si O(3) 1.643(7)
Si O(2) 1.657(7)
Si O(1) 1.668(7)
O(1) O(3) 2.693(8)
O(1) O(2) 2.668(8)
O(1) O(1) 2.660(8)
O(3) O(2) 2.694(9)
O(3) O(1) 2.601(8)
O(2) O(1) 2.812(10)
Cs O(3) 3.25(3)
Cs O(1) 3.37(2)
Cs O(3) 3.55(3)
N(1) O(3) 2.925(6)
N(1) O(1) 3.102(6)
Si Si' 3.019(4)
Si Si" 3.135(4)
Si Si'" 3.147(4)
