data_4302503
loop_
_publ_author_name
'Changzheng Wu'
'Xiaodong Zhang'
'Bo Ning'
'Jinlong Yang'
'Yi Xie'
_publ_section_title
;
Shape Evolution of New-Phased Lepidocrocite VOOH from Single-Shelled to
Double-Shelled Hollow Nanospheres on the Basis of Programmed
Reaction-Temperature Strategy
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6044
_journal_page_last               6054
_journal_volume                  48
_journal_year                    2009
_cod_original_sg_number          1
_symmetry_cell_setting           triclinic
_cod_original_sg_symbol_Hall     'P 1'
_cod_original_sg_symbol_H-M      'P 1'
_audit_creation_date             2008-12-04
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.072
_cell_length_b                   12.516
_cell_length_c                   3.873
_cell_volume                     148.914
_[local]_cod_data_source_file    ic900416v_si_002.cif
_[local]_cod_data_source_block   VOOH
_cod_database_code               4302503
_journal_paper_doi               10.1021/ic900416v
_space_group_IT_number           63
_space_group_name_H-M_alt        'C m c m'
_space_group_name_Hall           '-C 2c 2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
V1 V 0.5 0.1778 0.25 0.00000 Uiso 1.00
H2 H 0.5 0.4851 0.25 0.00000 Uiso 0.50
O9 O 0 0.2889 0.25 0.00000 Uiso 1.00
O10 O 0 0.0738 0.25 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V1 O9 2.072 1_655
V1 O15 1.981 .
V1 O15 1.981 1_554
V1 O10 2.013 1_655
H2 O12 1.110 .
V3 O11 2.072 .
V3 O11 2.072 1_455
V3 O13 1.981 .
V3 O13 1.981 1_554
V3 O12 2.013 .
V3 O12 2.013 1_455
H4 O10 1.110 .
V5 O13 2.072 .
V5 O13 2.072 1_655
V5 O11 1.981 1_556
V5 O14 2.013 .
V5 O14 2.013 1_655
H6 O16 1.110 .
V7 O15 2.072 1_455
V7 O9 1.981 1_556
V7 O16 2.013 1_455
H8 O14 1.110 .
O9 V1 2.072 1_455
O9 V7 1.981 1_554
O10 V1 2.013 1_455
O11 V3 2.072 1_655
O11 V5 1.981 1_554
O12 V3 2.013 1_655
O13 V5 2.072 1_455
O13 V3 1.981 1_556
O14 V5 2.013 1_455
O15 V7 2.072 1_655
O15 V1 1.981 1_556
O16 V7 2.013 1_655
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x,-y,z+1/2
4 x,y,-z+1/2
5 x,-y,-z
6 -x,y,z
7 -x,y,-z+1/2
8 x,-y,z+1/2
9 x+1/2,y+1/2,z
10 -x+1/2,-y+1/2,-z
11 -x+1/2,-y+1/2,z+1/2
12 x+1/2,y+1/2,-z+1/2
13 x+1/2,-y+1/2,-z
14 -x+1/2,y+1/2,z
15 -x+1/2,y+1/2,-z+1/2
16 x+1/2,-y+1/2,z+1/2
