#------------------------------------------------------------------------------
#$Date: 2015-09-28 12:12:22 +0200 (lun 28 de sep de 2015) $
#$Revision: 158542 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103789.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_8103789
loop_
_publ_author_name
'Ivashkevich, L.S.'
'Lesnikovich, A.I.'
'Lyakhov, A.S.'
'Selevich, A.F.'
_publ_section_title
;
 Ab initio structure determination of In2 H2 (P2 O7) (P4 O12) from X-ray
 powder diffraction data
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              32
_journal_page_last               36
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'H2 In2 O19 P6'
_chemical_name_systematic        'In2 H2 (P2 O7) (P4 O12)'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.9398
_cell_length_b                   11.3725
_cell_length_c                   5.0385
_cell_volume                     741.455
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Ivashkevich_ZEKRDZ_2003_1119.cif
_cod_data_source_block           H2In2O19P6
_cod_database_code               8103789
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
x,-y-1/2,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
In1 In+3 0.5 0 0 1 0.0
O3 O-2 0.25 0.897 0.369 1 0.0
O2 O-2 0.4374 0.881 0.279 1 0.0
P2 P+5 0.3641 0.8788 0.506 1 0.0
O1 O-2 0.3684 0.75 0.644 1 0.0
O5 O-2 0.3613 0.25 0.72 1 0.0
O6 O-2 0.415 0.1444 0.182 1 0.0
O4 O-2 0.3809 -0.035 0.713 1 0.0
O7 O-2 0.25 0.25 0.168 1 0.0
P1 P+5 0.3672 0.25 0.056 1 0.0
