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#$Date: 2023-11-12 12:37:04 +0200 (Sun, 12 Nov 2023) $
#$Revision: 287555 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001918.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_9001918
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
'Roberts A C'
'Grice J D'
'Stirling J A R'
'Moffatt E A'
_publ_section_title
;
 Georgeericksenite, Na6CaMg(IO3)6(CrO4)2(H2O)12, a new mineral from Oficina
 Chacabuco, Chile: Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              390
_journal_page_last               399
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Ca Cr2 H20 I6 Mg Na6 O40'
_chemical_name_mineral           Georgeericksenite
loop_
_[local]_alternative_name_id
_[local]_alternative_name_type
_[local]_alternative_name_source
_[local]_alternative_name_source_id
_[local]_alternative_name_value
1 mineral AMCSD 0001978 Georgeericksenite
2 mineral AMCSD 0001979 George-ericksenite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.42
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.645
_cell_length_b                   10.918
_cell_length_c                   15.768
_cell_volume                     3706.447
_cod_original_formula_sum        'Ca Mg Na6 I6 Cr2 O40 H20'
_cod_database_code               9001918
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Ca Ca 0.00000 0.12230 0.25000 0
Mg Mg 0.50000 0.10560 0.25000 0
Na Na1 0.13790 0.17830 0.17800 0
Na Na2 0.12280 0.39220 0.33040 0
Na Na3 0.37770 0.12910 0.01890 0
I I1 0.12628 0.11870 0.49298 0
I I2 0.00440 0.37451 0.08827 0
I I3 0.36796 0.15586 0.29555 0
Cr Cr 0.48430 0.34650 0.08520 0
O O1 0.32720 0.25890 0.43170 0
O O2 0.17890 0.06160 0.44560 0
O O3 0.07860 0.21430 0.39500 0
O O4 0.05110 0.28960 0.19280 0
O O5 0.03360 0.47990 0.36240 0
O O6 0.06300 0.47040 0.07670 0
O O7 0.32720 0.28460 0.22470 0
O O8 0.30810 0.04270 0.26010 0
O O9 0.40750 0.09910 0.22780 0
O O10 0.06140 0.18180 0.02060 0
O O11 0.47720 0.23440 0.14500 0
O O12 0.46680 0.47590 0.12040 0
O O13 0.44460 0.35030 0.40380 0
O Wat1 0.09750 0.02810 0.25220 2
O Wat2 0.19470 0.33700 0.14370 2
O Wat3 0.19820 0.24420 0.33590 2
O OW4A 0.18950 -0.00300 0.16700 2
O OW4B 0.19790 0.06300 0.11800 2
O Wat5 0.18650 0.45560 0.48510 2
O Wat6 0.31300 0.28090 0.04200 2
_database_code_amcsd 0001978
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001978
2 AMCSD 0001979
