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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/9/9004824.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_9004824
loop_
_publ_author_name
'Brugger J'
'Berlepsch P'
'Meisser N'
'Armbruster T'
_publ_section_title
;
 Ansermetite, MnV2O6.4H2O, a new mineral species with V5+ in five-fold coordination
 from Val Ferrera, Eastern Swiss Alps
 Locality: Val Ferrera, Eastern Swiss Alps
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1423
_journal_page_last               1431
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'H8 Mn O10 V1.95'
_[local]_cod_chemical_formula_sum_orig 'Mn V1.95 O10 H8'
_chemical_name_mineral           Ansermetite
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.572
_cell_angle_gamma                90
_cell_length_a                   13.171
_cell_length_b                   10.128
_cell_length_c                   6.983
_cell_volume                     866.258
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mn 0.25000 0.25000 0.00000 1.00000 0.01880
V 0.10541 0.47440 0.19330 0.97500 0.01420
O1 0.20470 0.57950 0.30040 1.00000 0.02540
O2 0.16010 0.33040 0.17820 1.00000 0.02410
O3 0.38850 0.35890 0.21650 1.00000 0.03480
O4 0.94010 0.46120 0.07880 1.00000 0.02400
O5 0.39340 0.62460 0.10730 1.00000 0.03930
H3A 0.39200 0.44500 0.22800 1.00000 0.05000
H3B 0.42600 0.29600 0.23400 1.00000 0.05000
H5A 0.45600 0.64400 0.12700 1.00000 0.05000
H5B 0.34800 0.64700 0.16700 1.00000 0.05000
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
Mn 0.01880 0.02000 0.01880 0.00210 0.00830 -0.00100
V 0.01470 0.01660 0.01250 0.00140 0.00670 -0.00120
O1 0.02800 0.02800 0.02200 -0.00900 0.01100 -0.00400
O2 0.02900 0.02400 0.02400 0.00500 0.01400 0.00200
O3 0.02500 0.03500 0.04200 -0.00400 0.01000 -0.00700
O4 0.01700 0.04000 0.02000 0.00200 0.01200 0.00300
O5 0.04500 0.03500 0.04200 -0.00400 0.02200 -0.00800
_cod_database_code 9004824