#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014123.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_9014123
loop_
_publ_author_name
'Demartin, F.'
'Campostrini, I.'
'Castellano, C.'
'Gramaccioli, C. M.'
'Russo, M.'
_publ_section_title
;
 D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3,
 two new minerals from volcanic fumaroles
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2773
_journal_page_last               2783
_journal_paper_doi               10.1180/minmag.2012.076.7.10
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Vesuvius, Naples, Italy'
_chemical_formula_sum            'Cl3 Mn0.508 Na21.492 O40 S10'
_chemical_name_mineral           Dansite-(Mn)
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.9291
_cell_length_b                   15.9291
_cell_length_c                   15.9291
_cell_formula_units_Z            4
_cell_volume                     4041.790
_database_code_amcsd             0019747
_exptl_crystal_density_diffrn    2.611
_cod_original_formula_sum        'Na21.492 Mn.508 S10 O40 Cl3'
_cod_database_code               9014123
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-z,x,-y
-z,1/2+x,1/2-y
1/2-y,z,-x
-y,1/2+z,1/2-x
1/2-x,y,-z
-x,1/2+y,1/2-z
1/4+x,3/4-z,1/4-y
3/4+x,1/4-z,3/4-y
1/4+z,3/4-y,1/4-x
3/4+z,1/4-y,3/4-x
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4+x,1/4+z,1/4+y
3/4+x,3/4+z,3/4+y
1/4+z,1/4+y,1/4+x
3/4+z,3/4+y,3/4+x
1/4+y,1/4+x,1/4+z
3/4+y,3/4+x,3/4+z
-z,1/2-x,y
1/2-z,-x,1/2+y
-y,1/2-z,x
1/2-y,-z,1/2+x
-x,1/2-y,z
1/2-x,-y,1/2+z
1/2+z,1/2-x,-y
+z,-x,1/2-y
1/2+y,1/2-z,-x
+y,-z,1/2-x
1/2+x,1/2-y,-z
+x,-y,1/2-z
3/4-x,3/4+z,1/4-y
1/4-x,1/4+z,3/4-y
3/4-z,3/4+y,1/4-x
1/4-z,1/4+y,3/4-x
3/4-y,3/4+x,1/4-z
1/4-y,1/4+x,3/4-z
3/4-x,1/4-z,1/4+y
1/4-x,3/4-z,3/4+y
3/4-z,1/4-y,1/4+x
1/4-z,3/4-y,3/4+x
3/4-y,1/4-x,1/4+z
1/4-y,3/4-x,3/4+z
z,x,y
1/2+z,1/2+x,1/2+y
y,z,x
1/2+y,1/2+z,1/2+x
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
Na1 0.88363 0.37538 0.84843 1.00000 0.02350
Na2 0.00000 0.25000 0.04420 1.00000 0.08000
Na3 0.07623 0.57623 0.92377 0.87300 0.03560
Mn3 0.07623 0.57623 0.92377 0.12700 0.03560
S1 0.01843 0.50000 0.75000 1.00000 0.01370
S2 0.96021 0.46021 0.03979 1.00000 0.01500
O1 -0.03370 0.42690 0.72950 1.00000 0.02700
O2 0.07270 0.52110 0.67840 1.00000 0.03220
O3 0.91340 0.47670 -0.03720 1.00000 0.04790
O4 0.90780 0.40780 0.09230 1.00000 0.08500
Cl 0.00000 0.25000 0.87500 1.00000 0.01840
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019747
