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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/9/00/81/9008142.cif $
#------------------------------------------------------------------------------
#
# 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_9008142
loop_
_publ_author_name
'Fanfani, L.'
'Zanazzi, P. F.'
_publ_section_title
;
 The crystal structure of vauquelinite and the relationships to fornacite
 Locality: Beresov, Ural Mountains, Russia
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              433
_journal_page_last               443
_journal_volume                  126
_journal_year                    1968
_chemical_formula_sum            'Cr Cu H O9 P Pb2'
_chemical_name_mineral           Vauquelinite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.57
_cell_angle_gamma                90
_cell_length_a                   13.754
_cell_length_b                   5.806
_cell_length_c                   9.563
_cell_volume                     761.232
_exptl_crystal_density_diffrn    6.160
_cod_original_formula_sum        'Pb2 Cu Cr P O9 H'
_cod_database_code               9008142
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_U_iso_or_equiv
Pb1 0.73630 0.22560 0.49540 0.03787
Pb2 0.05350 0.76860 0.16660 0.02812
Cu1 0.00000 0.00000 0.50000 0.03749
Cu2 0.00000 0.50000 0.50000 0.01684
Cr 0.86200 0.26250 0.18110 0.02140
P 0.15840 0.27370 0.32070 0.02318
O1 0.12030 0.04780 0.38060 0.03964
O2 0.11040 0.47800 0.38680 0.04116
O3 0.11920 0.25890 0.16790 0.03204
O4 0.26830 0.29510 0.34700 0.03166
O5 0.89100 0.02810 0.10130 0.03204
O6 0.91030 0.48360 0.09640 0.02508
O7 0.91130 0.23600 0.33810 0.02419
O8 0.74700 0.27350 0.18380 0.02938
O-H 0.95290 0.78370 0.38410 0.02799