# Electronic Supplementary Material (ESI) for RSC Advances
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               'RSC Advances'
_journal_coden_cambridge         1500
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_section_title              'In1 O28 P7 Sr9'
_publ_contact_author_email       Chien-Hao@itri.org.tw
_publ_contact_author_name        'Huang, Chien-Hao'
loop_
_publ_author_name
'Huang, Chien-Hao'
'Wang, Deyin'
'Chiu, Yi-Chen'
'Yeh, Yao-Tsung'
'Chen, Teng-Ming'

data_59722-ICSD
_database_code_depnum_ccdc_archive 'CCDC 876058'
#TrackingRef '- Sr9In(PO4)7 CIF.cif'

_database_code_ICSD              59722
_audit_creation_date             2005-04-01
_chemical_name_systematic        'Nonastrontium indium heptakis(phosphate(V))'
_chemical_formula_structural     'Sr9 In (P O4)7'
_chemical_formula_sum            'In1 O28 P7 Sr9'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 2002 168 237 244 JSSCBI
_cell_length_a                   18.0425(2)
_cell_length_b                   10.66307(4)
_cell_length_c                   18.3714(2)
_cell_angle_alpha                90
_cell_angle_beta                 132.9263(5)
_cell_angle_gamma                90
_cell_volume                     2588.0403
_cell_formula_units_Z            4.000
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_symmetry_Int_Tables_number      15
_refine_ls_R_factor_all          0.0424
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x+1/2, -y, z'
2 '-x, -y, -z'
3 '-x+1/2, y, -z'
4 'x, y, z'
5 'x, -y+1/2, z+1/2'
6 '-x+1/2, -y+1/2, -z+1/2'
7 '-x, y+1/2, -z+1/2'
8 'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.
In3+ 3.
P5+ 5.
O2- -2.
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Sr1 Sr2+ 8 f .19632(7) .00224(14) .28165(6) .0065(3) 1.
Sr2 Sr2+ 8 f .30507(8) .72200(11) .44279(7) .0063(3) 1.
Sr3 Sr2+ 8 f .80288(8) .71643(11) .44268(7) .0063(3) 1.
Sr4 Sr2+ 8 f .0133(2) .5006(4) -.0067(2) .0067(5) .5
Sr5 Sr2+ 8 f -.01492(8) .73053(10) .23355(7) .0104(3) 1.
In1 In3+ 4 a 0 0 0 .0060(2) 1.
P1 P5+ 4 e .25 .4789(5) 0 .0241(12) 1.
P2 P5+ 8 f .4028(2) -.0039(4) .1088(2) .0062(6) 1.
P3 P5+ 8 f .0977(2) .2621(3) .1515(2) .0079(9) 1.
P4 P5+ 8 f .5960(2) .2585(3) .1529(2) .0053(8) 1.
O1 O2- 8 f .8229(4) .6111(5) .0902(4) .014(2) 1.
O2 O2- 8 f .2013(6) .9508(7) .5253(5) .096(4) 1.
O3 O2- 8 f .4854(4) .0018(7) .7931(3) .0009(13) 1.
O4 O2- 8 f .3536(5) .8704(6) .1018(4) .0012(10) 1.
O5 O2- 8 f .8514(5) .8889(6) .1017(5) .0012(10) 1.
O6 O2- 8 f .3938(4) -.0015(7) .0177(3) .0037(13) 1.
O7 O2- 8 f .3503(4) .2552(6) .2419(4) .0014(9) 1.
O8 O2- 8 f .8540(5) .8604(6) .3673(5) .006(2) 1.
O9 O2- 8 f .6076(5) .6353(6) .6177(5) .0022(9) 1.
O10 O2- 8 f .5157(5) .2021(6) .4139(4) .0063(9) 1.
O11 O2- 8 f .0137(5) .2044(6) .4107(4) .0063(9) 1.
O12 O2- 8 f .3466(5) .8612(6) .3542(5) .002(2) 1.
O13 O2- 8 f .8542(4) .2609(6) .2377(4) .0014(9) 1.
O14 O2- 8 f .1053(5) .6307(6) .6149(5) .0022(9) 1.
#End of data_59722-ICSD