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#$Date: 2020-01-11 03:56:58 +0200 (Sat, 11 Jan 2020) $
#$Revision: 246718 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/69/1556991.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_1556991
loop_
_publ_author_name
'Garavelli, A.'
'Mitolo, D.'
'Pinto, D.'
'Vurro, F.'
_publ_section_title
;
 Lucabindiite, (K,NH4)As4O6(Cl,Br), a new fumarole mineral from the "La
 Fossa" crater at Vulcano, Aeolian Islands, Italy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              470
_journal_page_last               477
_journal_paper_doi               10.2138/am.2013.4194
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'As4 Br0.3 Cl0.5 F0.2 H1.92 K0.52 N0.48 O6'
_chemical_name_common            '[K0.52(NH4)0.48]As4O6(Cl0.5Br0.3F0.2)'
_chemical_name_mineral           lucabindiite
_space_group_IT_number           191
_space_group_name_Hall           '-P 6 2'
_space_group_name_H-M_alt        'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.2386(7)
_cell_length_b                   5.2386(7)
_cell_length_c                   9.014(2)
_cell_volume                     214.23(6)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            lucabindiite.cif
_cod_data_source_block           lucabindiite
_cod_original_formula_sum        'K0.52 N0.48 As4 O6 Cl0.5 Br0.3 F0.2 H1.92'
_cod_database_code               1556991
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -y,x-y,z
4 y,-x+y,-z
5 -x+y,-x,z
6 x-y,x,-z
7 -x,-y,z
8 x,y,-z
9 y,-x+y,z
10 -y,x-y,-z
11 x-y,x,z
12 -x+y,-x,-z
13 y,x,-z
14 -y,-x,z
15 x-y,-y,-z
16 -x+y,y,z
17 -x,-x+y,-z
18 x,x-y,z
19 -y,-x,-z
20 y,x,z
21 -x+y,y,-z
22 x-y,-y,z
23 x,x-y,-z
24 -x,-x+y,z
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
As1 1.0 0.333333 0.666667 0.20309(16) Uiso 0.0145(4) As
O 1.0 0.500000 0.000000 0.3106(10) Uiso 0.0192(16) O
K 0.52(5) 0.000000 0.000000 0.500000 Uiso 0.043(5) K
N 0.48(5) 0.000000 0.000000 0.500000 Uiso 0.043(5) N
Br1 0.3000 0.000000 0.000000 0.000000 Uiso 0.0366(16) Br
Cl1 0.5000 0.000000 0.000000 0.000000 Uiso 0.0366(16) Cl
F1 0.2000 0.000000 0.000000 0.000000 Uiso 0.0366(16) F
