#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009339.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_9009339
loop_
_publ_author_name
'Basso R'
'Palenzona A'
'Zefiro L'
_publ_section_title
;
 Gamagarite: new occurrence and crystal structure refinement
 Locality: a manganese ore deposit at Molinello mine, Val Graveglia, Eastern Liguria, Italy
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              295
_journal_page_last               304
_journal_volume                  1987
_journal_year                    1987
_chemical_formula_sum            'As0.18 Ba1.8 Fe0.56 H Mn0.44 O9 Sr0.2 V1.82'
_[local]_cod_chemical_formula_sum_orig
'(Ba1.8 Sr.2) (Fe.56 Mn.44) (V1.82 As.18) O9 H'
_chemical_name_mineral           Gamagarite
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.88
_cell_angle_gamma                90
_cell_length_a                   9.121
_cell_length_b                   6.142
_cell_length_c                   7.838
_cell_volume                     404.547
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+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
Ba1 0.40910 0.75000 0.31980 0.90000 0.00849
Sr1 0.40910 0.75000 0.31980 0.10000 0.00849
Ba2 0.24350 0.75000 0.73590 0.90000 0.01241
Sr2 0.24350 0.75000 0.73590 0.10000 0.01241
Fe 0.00000 0.00000 0.00000 0.56000 0.00659
Mn 0.00000 0.00000 0.00000 0.44000 0.00659
V1 0.82650 0.75000 0.55850 0.91000 0.00659
As1 0.82650 0.75000 0.55850 0.09000 0.00659
V2 0.66540 0.75000 0.95350 0.91000 0.00570
As2 0.66540 0.75000 0.95350 0.09000 0.00570
O1 0.70510 0.96940 0.49750 1.00000 0.01722
O2 0.94600 0.75000 0.44460 1.00000 0.03977
O3 0.95390 0.75000 0.80720 1.00000 0.01963
O4 0.53770 0.75000 0.72740 1.00000 0.03863
O5 0.21780 0.01620 0.00540 1.00000 0.01355
O6 0.55450 0.75000 0.07680 1.00000 0.02191
O7 0.06700 0.75000 0.17490 1.00000 0.01178
H 0.99500 0.75000 0.24500 1.00000 ?