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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001781.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_9001781
loop_
_publ_author_name
'Brugger J'
'Berlepsch P'
_publ_section_title
;
 Description and crystal structure of fianelite, Mn2V(V,As)O7.2H2O, a new mineral
 from Fianel, Val Ferrera, Graubunden, Switzerland
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1270
_journal_page_last               1276
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'As0.38 H2.18 Mn2 O9 V1.62'
_[local]_cod_chemical_formula_sum_orig 'Mn2 V1.62 As.38 O9 H2.18'
_chemical_name_mineral           Fianelite
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.27
_cell_angle_gamma                90
_cell_length_a                   7.809
_cell_length_b                   14.554
_cell_length_c                   6.705
_cell_volume                     760.797
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 0.39870 0.38460 0.23780 1.00000
Mn2 0.62000 0.24750 0.96150 1.00000
V1 0.32850 0.42110 0.74580 1.00000
V2 0.04030 0.31760 0.94970 0.62000
As2 0.04030 0.31760 0.94970 0.38000
O1 0.16500 0.29280 0.15800 1.00000
O2 0.05800 0.23600 0.77500 1.00000
O3 0.11500 0.42040 0.84800 1.00000
O4 0.38700 0.52860 0.70600 1.00000
O5 -0.16400 0.33940 0.00100 1.00000
O6 0.45800 0.36740 0.92400 1.00000
O7 0.31400 0.35970 0.52900 1.00000
Wat1 0.23100 0.50680 0.23600 1.00000
Wat2 0.40000 0.15070 0.94500 1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn1 0.01300 0.01090 0.01200 0.00130 0.00000 0.00050
Mn2 0.01000 0.01520 0.01600 0.00200 -0.00100 -0.00100
V1 0.01000 0.00990 0.00700 -0.00030 0.00070 0.00070
V2 0.01200 0.01350 0.01040 -0.00060 0.00010 -0.00080
As2 0.01200 0.01350 0.01040 -0.00060 0.00010 -0.00080
O1 0.02300 0.01900 0.01200 -0.00400 -0.01200 0.00200
O2 0.01900 0.01000 0.01200 0.00500 0.00300 -0.00200
O3 0.00300 0.02400 0.02500 -0.00700 0.00500 -0.00500
O4 0.02500 0.00700 0.02600 -0.00200 -0.00800 0.00000
O5 0.02500 0.01100 0.02400 0.00600 0.00000 0.00100
O6 0.02500 0.02100 0.01100 0.00200 0.01100 -0.00500
O7 0.02700 0.01900 0.04000 0.01400 -0.01400 -0.00800
Wat1 0.02700 0.01900 0.04000 0.01400 -0.01400 -0.00800
Wat2 0.01600 0.04900 0.04000 -0.01300 -0.01400 0.00600
_cod_database_code 9001781