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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014180.cif $
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#
# 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_9014180
loop_
_publ_author_name
'Krause, W.'
'Belendorff, K.'
'Bernhardt, H. J.'
'McCammon, C. A.'
'Effenberger, H.'
'Mikenda, W.'
_publ_section_title
;
 Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite,
 tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              179
_journal_page_last               206
_journal_volume                  10
_journal_year                    1998
_chemical_compound_source        'Mounana, Gaboon'
_chemical_formula_sum            'Fe2 H2 O10 Pb V2'
_chemical_name_mineral           Mounanaite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.57
_cell_angle_gamma                90
_cell_length_a                   9.294
_cell_length_b                   6.166
_cell_length_c                   7.713
_cell_volume                     398.717
_database_code_amcsd             0006710
_exptl_crystal_density_diffrn    4.854
_cod_original_formula_sum        'Pb Fe2 V2 (O10 H2)'
_cod_database_code               9014180
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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_U_iso_or_equiv
PbMe1 0.00000 0.00000 0.00000 0.02280
FeMe2 0.25000 0.25000 0.50000 0.01900
VX 0.92280 0.50000 0.22560 0.01520
O-H1 0.33680 0.50000 0.41830 0.01773
O2 0.31850 0.00000 0.37220 0.02533
O3 0.04060 0.27290 0.26630 0.01773
O4 0.21250 0.50000 -0.00530 0.02153