#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/55/9015515.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9015515
loop_
_publ_author_name
'Yang, H.'
'Downs, R. T.'
'Evans, S. H.'
'Jenkins, R. A.'
'Bloch, E. M.'
_publ_section_title
;
 Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an
 interrupted framework from Maricopa County, Arizona, U.S.A.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              236
_journal_page_last               241
_journal_paper_doi               10.2138/am.2013.4252
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'Big Horn Mountains, Maricopa County, Arizona, USA'
_chemical_formula_sum            'Al H O12 Pb2 Si4'
_chemical_name_mineral           Rongibbsite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.925
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8356
_cell_length_b                   13.9132
_cell_length_c                   10.2775
_cell_volume                     1118.976
_database_code_amcsd             0019710
_exptl_crystal_density_diffrn    4.432
_cod_original_formula_sum        'Pb2 Si4 Al O12 H'
_cod_database_code               9015515
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb 0.09729 0.34602 0.34367 0.80200 0.01822
Pb* 0.10313 0.33075 0.34924 0.19800 0.02774
SiT1 0.32365 0.39185 0.66099 1.00000 0.01126
SiT2 0.19392 0.11266 0.53609 0.80000 0.01088
AlT2 0.19392 0.11266 0.53609 0.20000 0.01088
AlT3 0.50000 0.24649 0.50000 0.60000 0.00733
SiT3 0.50000 0.24649 0.50000 0.40000 0.00733
O1 0.23932 0.12479 0.69315 1.00000 0.01883
O2 0.00000 0.15506 0.50000 1.00000 0.02141
O3 0.20846 0.00000 0.48925 1.00000 0.01874
O4 0.15728 0.37490 0.56303 1.00000 0.01828
O5 0.39855 0.50000 0.64981 1.00000 0.01673
O6 0.32993 0.17896 0.45812 1.00000 0.01740
O7 0.47538 0.31765 0.63132 1.00000 0.01602
O8H 0.12819 0.50000 0.28393 1.00000 0.04113
H 0.24320 0.50000 0.30933 1.00000 0.03000
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_aniso_labels 10200 2024-08-01 14:09:44Z saulius
;
2024-08-02T12:21:55+03:00
;Changed the following '_atom_site_aniso_label' values:
'Pb'' -> 'Pb*'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019710
