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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/59/1535914.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_1535914
loop_
_publ_author_name
'Ivanov, S.A.'
_publ_section_title
;
 Full profile refinement of Pb5(GeO4)(VO4)2 crystal structure
;
_journal_name_full
;
Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii)
;
_journal_page_first              80
_journal_page_last               84
_journal_volume                  31
_journal_year                    1990
_chemical_formula_sum            'Ge O12 Pb5 V2'
_chemical_name_systematic        'Pb5 (Ge 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                   10.099
_cell_length_b                   10.099
_cell_length_c                   7.4
_cell_volume                     653.611
_citation_journal_id_ASTM        JSTCAM
_cod_data_source_file            Ivanov_JSTCAM_1990_1081.cif
_cod_data_source_block           Ge1O12Pb5V2
_cod_original_cell_volume        653.6106
_cod_original_formula_sum        'Ge1 O12 Pb5 V2'
_cod_database_code               1535914
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
O3 O-2 0.345 0.272 0.067 1 0.0
Ge1 Ge+4 0.392 0.384 0.25 0.333 0.0
O2 O-2 0.608 0.48 0.25 1 0.0
V1 V+5 0.392 0.384 0.25 0.667 0.0
O1 O-2 0.299 0.478 0.25 1 0.0
Pb2 Pb+2 0.2545 0.0073 0.25 1 0.0
Pb1 Pb+2 0.3333 0.6667 0.0064 1 0.0
