#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534031.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_1534031
loop_
_publ_author_name
'Krivovichev, S.V.'
'Depmeier, W.'
'Armbruster, T.'
_publ_section_title
;
 One-dimensional lone electron pair micelles in the crystal structure of
 Pb5 (Si O4) (V O4)2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1717
_journal_page_last               1722
_journal_volume                  39
_journal_year                    2004
_chemical_formula_sum            'O12 Pb5 Si V2'
_chemical_name_systematic        'Pb5 (Si O4) (V O4)2'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.9865
_cell_length_b                   9.9865
_cell_length_c                   7.3599
_cell_volume                     635.666
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Krivovichev_MRBUAC_2004_1928.cif
_cod_data_source_block           O12Pb5Si1V2
_cod_original_cell_volume        635.6662
_cod_original_formula_sum        'O12 Pb5 Si1 V2'
_cod_database_code               1534031
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
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
O2 O-2 0.2655 0.9166 0.0697 1 0.0
Si1 Si+4 0.3797 0.984 0.25 0.333 0.0
O1 O-2 0.5005 0.9072 0.25 1 0.0
Pb1 Pb+2 0.00092 0.7494 0.25 1 0.0
Pb2 Pb+2 0.3333 0.6667 -0.00731 1 0.0
V1 V+5 0.3797 0.984 0.25 0.667 0.0
O3 O-2 0.4862 0.181 0.25 1 0.0
