#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/71/9017158.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_9017158
loop_
_publ_author_name
'Mitolo, D.'
'Demartin, F.'
'Garavelli, A.'
'Campostrini, I.'
'Pinto, D.'
'Gramaccioli, C. M.'
'Acquafredda, P.'
'Kolitsch, U.'
_publ_section_title
;
 Adranosite-(Fe), (NH4)4NaFe2(SO4)4Cl(OH)2, a new ammonium sulfate chloride
 from La Fossa Crater, Vulcano, Aeolian Islands, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              57
_journal_page_last               66
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source
'La Fossa Crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum
'Al0.18 Cl Fe1.82 H17.568 K0.108 N3.892 Na O18 S4'
_chemical_name_mineral           Adranosite-(Fe)
_space_group_IT_number           142
_space_group_name_Hall           '-I 4bd 2c'
_space_group_name_H-M_alt        'I 41/a c d :2'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.261
_cell_length_b                   18.261
_cell_length_c                   11.562
_cell_formula_units_Z            8
_cell_volume                     3855.512
_database_code_amcsd             0019805
_exptl_crystal_density_diffrn    2.266
_cod_data_source_file            inputs/fixed/downloads/07/07370.cif
_cod_data_source_block           07370
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum
'Na (Fe1.82 Al.18) S4 Cl (N3.892 K.108) O18 H17.568'
_cod_database_code               9017158
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4-y,3/4-x,3/4+z
3/4-y,1/4-x,1/4+z
1/4+y,3/4+x,3/4-z
3/4+y,1/4+x,1/4-z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/2+x,-y,z
+x,1/2-y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4+y,1/4+x,1/4+z
3/4+y,3/4+x,3/4+z
1/4-y,1/4-x,1/4-z
3/4-y,3/4-x,3/4-z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-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
Na 0.50000 0.25000 0.12500 1.00000 0.01920
Fe 0.30466 0.55466 0.12500 0.91000 0.01390
Al 0.30466 0.55466 0.12500 0.09000 0.01390
S 0.37858 0.39769 0.13582 1.00000 0.01630
Cl 0.50000 0.25000 0.37500 1.00000 0.02880
N 0.32456 0.23263 0.37804 0.97300 0.03750
K 0.32456 0.23263 0.37804 0.02700 0.03750
O1 0.38441 0.47904 0.11353 1.00000 0.01850
O2 0.31686 0.36867 0.07216 1.00000 0.03440
O3 0.36733 0.38742 0.26199 1.00000 0.02050
O4 0.44810 0.36554 0.10319 1.00000 0.03110
O5 0.26100 0.50000 0.25000 1.00000 0.01640
H1 0.30470 0.28330 0.39200 0.97300 0.11700
H2 0.36950 0.23550 0.32920 0.97300 0.16200
H3 0.33470 0.20770 0.45270 0.97300 0.06000
H4 0.28580 0.20400 0.33440 0.97300 0.17200
H5 0.21170 0.50000 0.25000 1.00000 0.09800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019805
