#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/51/9015111.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_9015111
loop_
_publ_author_name
'Kampf, A. R.'
'Mills, S. J.'
_publ_section_title
;
 The role of hydrogen in tellurites: crystal structure refinements of juabite,
 poughite and rodalquilarite
;
_journal_name_full               'Journal of Geosciences'
_journal_page_first              235
_journal_page_last               247
_journal_volume                  56
_journal_year                    2011
_chemical_compound_source        'Tambo mine, Coquimbo Regioin, Chile'
_chemical_formula_sum            'Cl Fe2 H3 O12 Te4'
_chemical_name_mineral           Rodalquilarite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.347
_cell_angle_beta                 78.053
_cell_angle_gamma                76.709
_cell_length_a                   5.1129
_cell_length_b                   6.6481
_cell_length_c                   9.0079
_cell_formula_units_Z            1
_cell_volume                     282.200
_database_code_amcsd             0018501
_exptl_crystal_density_diffrn    5.017
_cod_original_formula_sum        'Fe2 Te4 O12 H3 Cl'
_cod_database_code               9015111
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-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
Fe 0.27611 0.85489 0.55577 1.00000 0.00733
Te1 0.12008 0.34030 0.68776 1.00000 0.00723
Te2 0.33841 0.16581 0.16967 1.00000 0.00894
O1 0.19340 0.59290 0.53820 1.00000 0.00960
O2 0.36280 0.13610 0.58390 1.00000 0.01030
O3 0.40480 0.31690 0.80530 1.00000 0.01270
H3 0.44900 0.44100 0.79200 1.00000 0.03100
O4 0.54370 0.28490 0.26230 1.00000 0.01300
O5 0.11280 0.03900 0.35490 1.00000 0.00880
O6 0.09840 0.42760 0.12550 1.00000 0.01470
H6 0.06000 0.47000 0.02800 0.50000 0.06000
Cl 0.00000 0.00000 0.00000 1.00000 0.01860
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018501
