#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310728.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310728
loop_
_publ_author_name
'Bachmann, H.G.'
_publ_section_title
;
 Die Kristallstruktur des Descloizit
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              102
_journal_page_last               102
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'H O5 Pb V Zn'
_chemical_name_systematic        'Pb Zn (V O4) (O H)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.05
_cell_length_b                   9.39
_cell_length_c                   7.65
_cell_volume                     434.593
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bachmann_ACCRA9_1953_185.cif
_cod_data_source_block           H1O5Pb1V1Zn1
_cod_original_cell_volume        434.5927
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'H1 O5 Pb1 V1 Zn1'
_cod_database_code               2310728
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Zn1 Zn+2 0.25 0 0.125 1 0.0
O2 O-2 0.25 0.125 0.375 1 0.0
O4 O-2 0.45 0.25 0.125 1 0.0
O1 O-2 0 0 0 1 0.0
O3 O-2 0.25 0.375 0.375 1 0.0
Pb1 Pb+2 0.25 0.663 0.118 1 0.0
V1 V+5 0.25 0.25 0.25 1 0.0
