# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_yellow-SEAO

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        yellow-SEAO
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Al2 O4 Sr'
_chemical_formula_weight         205.58

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0025 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0234 0.0191 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr 0.2103 1.4760 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           163
_space_group_name_H-M_alt        'P -3 1 c'
_space_group_name_Hall           '-P 3 2c'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   6.1456(6)
_cell_length_b                   6.1456(6)
_cell_length_c                   10.5585(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     345.35(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7628
_cell_measurement_theta_min      2.3835
_cell_measurement_theta_max      21.375

_exptl_crystal_description       neddle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.954
_exptl_crystal_F_000             384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.006
_exptl_absorpt_coefficient_mu    4.568
_shelx_estimated_absorpt_T_min   0.916
_shelx_estimated_absorpt_T_max   0.916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8732
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.4428
_diffrn_radiation_type           ?
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11432
_diffrn_reflns_av_unetI/netI     0.0389
_diffrn_reflns_av_R_equivalents  0.0919
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.670
_diffrn_reflns_theta_max         24.113
_diffrn_reflns_theta_full        15.407
_diffrn_measured_fraction_theta_max 0.839
_diffrn_measured_fraction_theta_full 0.894
_diffrn_reflns_Laue_measured_fraction_max 0.839
_diffrn_reflns_Laue_measured_fraction_full 0.894
_diffrn_reflns_point_group_measured_fraction_max 0.839
_diffrn_reflns_point_group_measured_fraction_full 0.894
_reflns_number_total             646
_reflns_number_gt                540
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1148P)²+2.4124P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         646
_refine_ls_number_parameters     23
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0590
_refine_ls_wR_factor_ref         0.1808
_refine_ls_wR_factor_gt          0.1724
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr -0.3333 0.3333 0.91937(7) 0.0118(2) Uani 1 3 d S T P . .
Al1 Al 0.0000 0.0000 1.0000 0.0149(7) Uani 1 6 d S TU P . .
Al2 Al 0.1635(2) 0.3271(4) 0.7500 0.0465(14) Uani 1 2 d S T P . .
O1 O 0.0198(13) 0.5099(7) 0.7500 0.0231(10) Uani 0.8 2 d S TU P . .
O2 O 0.0000 0.0000 0.804(3) 0.0231(10) Uani 0.4 3 d S T P . .
O3A O 0.2964(19) 0.2235(19) 1.0599(15) 0.0231(10) Uani 0.4 1 d . . P . .
O3B O -0.0733(19) 0.2232(19) 1.0609(15) 0.0231(10) Uani 0.4 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sr1 O3A 2.510(13) 2 ?
Sr1 O3A 2.510(13) 3_565 ?
Sr1 O3A 2.510(13) 1_455 ?
Sr1 O3B 2.516(13) . ?
Sr1 O3B 2.516(13) 3_455 ?
Sr1 O3B 2.516(13) 2_565 ?
Sr1 O1 2.594(5) 3_455 ?
Sr1 O1 2.594(5) . ?
Sr1 O1 2.594(5) 2_565 ?
Sr1 O3A 2.626(10) 9_557 ?
Sr1 O3A 2.626(10) 8_457 ?
Sr1 O3A 2.626(10) 7_567 ?
Al1 O3A 1.762(11) 9_557 ?
Al1 O3A 1.762(11) 3 ?
Al1 O3A 1.762(11) 7_557 ?
Al1 O3A 1.762(11) . ?
Al1 O3A 1.762(11) 8_557 ?
Al1 O3A 1.762(11) 2 ?
Al1 O3B 1.765(11) . ?
Al1 O3B 1.765(11) 9_557 ?
Al1 O3B 1.765(11) 3 ?
Al1 O3B 1.765(11) 8_557 ?
Al1 O3B 1.765(11) 2 ?
Al1 O3B 1.765(11) 7_557 ?
Al2 O1 1.742(3) 2_665 ?
Al2 O1 1.742(3) . ?
Al2 O2 1.832(9) 4_556 ?
Al2 O2 1.832(9) . ?
Al2 O3B 2.055(16) 12 ?
Al2 O3B 2.055(16) 8_557 ?
Al2 O3A 2.066(16) 9_557 ?
Al2 O3A 2.066(16) 10 ?
O1 Al2 1.742(3) 3_565 ?
O1 Sr1 2.595(5) 4_556 ?
O2 O2 1.14(5) 4_556 ?
O2 Al2 1.832(9) 2 ?
O2 Al2 1.832(9) 3 ?
O3A O3B 0.924(15) 3 ?
O3A O3B 1.49(2) 8_557 ?
O3A Al2 2.066(16) 8_557 ?
O3A Sr1 2.510(13) 1_655 ?
O3A Sr1 2.626(10) 7_567 ?
O3B O3A 0.924(15) 2 ?
O3B O3A 1.49(2) 9_557 ?
O3B Al2 2.055(16) 9_557 ?
O3B Sr1 2.628(10) 7_567 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3A Sr1 O3A 88.6(5) 2 3_565 ?
O3A Sr1 O3A 88.6(5) 2 1_455 ?
O3A Sr1 O3A 88.6(5) 3_565 1_455 ?
O3A Sr1 O3B 21.2(3) 2 . ?
O3A Sr1 O3B 71.9(4) 3_565 . ?
O3A Sr1 O3B 100.9(5) 1_455 . ?
O3A Sr1 O3B 71.9(4) 2 3_455 ?
O3A Sr1 O3B 100.9(5) 3_565 3_455 ?
O3A Sr1 O3B 21.2(3) 1_455 3_455 ?
O3B Sr1 O3B 88.3(5) . 3_455 ?
O3A Sr1 O3B 100.9(5) 2 2_565 ?
O3A Sr1 O3B 21.2(3) 3_565 2_565 ?
O3A Sr1 O3B 71.9(4) 1_455 2_565 ?
O3B Sr1 O3B 88.3(5) . 2_565 ?
O3B Sr1 O3B 88.3(5) 3_455 2_565 ?
O3A Sr1 O1 90.4(3) 2 3_455 ?
O3A Sr1 O1 167.5(3) 3_565 3_455 ?
O3A Sr1 O1 103.8(3) 1_455 3_455 ?
O3B Sr1 O1 103.9(3) . 3_455 ?
O3B Sr1 O1 90.6(3) 3_455 3_455 ?
O3B Sr1 O1 167.7(3) 2_565 3_455 ?
O3A Sr1 O1 103.8(3) 2 . ?
O3A Sr1 O1 90.4(3) 3_565 . ?
O3A Sr1 O1 167.5(3) 1_455 . ?
O3B Sr1 O1 90.6(3) . . ?
O3B Sr1 O1 167.7(3) 3_455 . ?
O3B Sr1 O1 103.9(3) 2_565 . ?
O1 Sr1 O1 77.72(17) 3_455 . ?
O3A Sr1 O1 167.5(3) 2 2_565 ?
O3A Sr1 O1 103.8(3) 3_565 2_565 ?
O3A Sr1 O1 90.4(3) 1_455 2_565 ?
O3B Sr1 O1 167.7(3) . 2_565 ?
O3B Sr1 O1 103.9(3) 3_455 2_565 ?
O3B Sr1 O1 90.6(3) 2_565 2_565 ?
O1 Sr1 O1 77.72(17) 3_455 2_565 ?
O1 Sr1 O1 77.72(17) . 2_565 ?
O3A Sr1 O3A 47.6(5) 2 9_557 ?
O3A Sr1 O3A 80.0(4) 3_565 9_557 ?
O3A Sr1 O3A 134.48(13) 1_455 9_557 ?
O3B Sr1 O3A 33.7(5) . 9_557 ?
O3B Sr1 O3A 119.5(4) 3_455 9_557 ?
O3B Sr1 O3A 101.0(4) 2_565 9_557 ?
O1 Sr1 O3A 90.2(3) 3_455 9_557 ?
O1 Sr1 O3A 57.4(3) . 9_557 ?
O1 Sr1 O3A 135.1(4) 2_565 9_557 ?
O3A Sr1 O3A 80.0(4) 2 8_457 ?
O3A Sr1 O3A 134.48(14) 3_565 8_457 ?
O3A Sr1 O3A 47.6(5) 1_455 8_457 ?
O3B Sr1 O3A 101.0(4) . 8_457 ?
O3B Sr1 O3A 33.7(5) 3_455 8_457 ?
O3B Sr1 O3A 119.5(4) 2_565 8_457 ?
O1 Sr1 O3A 57.4(3) 3_455 8_457 ?
O1 Sr1 O3A 135.1(3) . 8_457 ?
O1 Sr1 O3A 90.2(3) 2_565 8_457 ?
O3A Sr1 O3A 119.32(11) 9_557 8_457 ?
O3A Sr1 O3A 134.48(13) 2 7_567 ?
O3A Sr1 O3A 47.6(5) 3_565 7_567 ?
O3A Sr1 O3A 80.0(4) 1_455 7_567 ?
O3B Sr1 O3A 119.5(4) . 7_567 ?
O3B Sr1 O3A 101.0(4) 3_455 7_567 ?
O3B Sr1 O3A 33.7(5) 2_565 7_567 ?
O1 Sr1 O3A 135.1(3) 3_455 7_567 ?
O1 Sr1 O3A 90.2(3) . 7_567 ?
O1 Sr1 O3A 57.4(3) 2_565 7_567 ?
O3A Sr1 O3A 119.32(11) 9_557 7_567 ?
O3A Sr1 O3A 119.32(10) 8_457 7_567 ?
O3A Al1 O3A 180.0 9_557 3 ?
O3A Al1 O3A 107.8(5) 9_557 7_557 ?
O3A Al1 O3A 72.2(5) 3 7_557 ?
O3A Al1 O3A 72.2(5) 9_557 . ?
O3A Al1 O3A 107.8(5) 3 . ?
O3A Al1 O3A 180.0 7_557 . ?
O3A Al1 O3A 107.8(5) 9_557 8_557 ?
O3A Al1 O3A 72.2(5) 3 8_557 ?
O3A Al1 O3A 107.8(5) 7_557 8_557 ?
O3A Al1 O3A 72.2(5) . 8_557 ?
O3A Al1 O3A 72.2(5) 9_557 2 ?
O3A Al1 O3A 107.8(5) 3 2 ?
O3A Al1 O3A 72.2(5) 7_557 2 ?
O3A Al1 O3A 107.8(5) . 2 ?
O3A Al1 O3A 180.0 8_557 2 ?
O3A Al1 O3B 50.2(7) 9_557 . ?
O3A Al1 O3B 129.8(7) 3 . ?
O3A Al1 O3B 99.8(5) 7_557 . ?
O3A Al1 O3B 80.2(5) . . ?
O3A Al1 O3B 149.6(5) 8_557 . ?
O3A Al1 O3B 30.4(5) 2 . ?
O3A Al1 O3B 80.2(5) 9_557 9_557 ?
O3A Al1 O3B 99.8(5) 3 9_557 ?
O3A Al1 O3B 30.4(5) 7_557 9_557 ?
O3A Al1 O3B 149.6(5) . 9_557 ?
O3A Al1 O3B 129.8(7) 8_557 9_557 ?
O3A Al1 O3B 50.2(7) 2 9_557 ?
O3B Al1 O3B 72.5(5) . 9_557 ?
O3A Al1 O3B 99.8(5) 9_557 3 ?
O3A Al1 O3B 80.2(5) 3 3 ?
O3A Al1 O3B 149.6(5) 7_557 3 ?
O3A Al1 O3B 30.4(5) . 3 ?
O3A Al1 O3B 50.2(7) 8_557 3 ?
O3A Al1 O3B 129.8(7) 2 3 ?
O3B Al1 O3B 107.5(6) . 3 ?
O3B Al1 O3B 180.0 9_557 3 ?
O3A Al1 O3B 30.4(5) 9_557 8_557 ?
O3A Al1 O3B 149.6(5) 3 8_557 ?
O3A Al1 O3B 129.8(7) 7_557 8_557 ?
O3A Al1 O3B 50.2(7) . 8_557 ?
O3A Al1 O3B 80.2(5) 8_557 8_557 ?
O3A Al1 O3B 99.8(5) 2 8_557 ?
O3B Al1 O3B 72.5(6) . 8_557 ?
O3B Al1 O3B 107.5(5) 9_557 8_557 ?
O3B Al1 O3B 72.5(6) 3 8_557 ?
O3A Al1 O3B 149.6(5) 9_557 2 ?
O3A Al1 O3B 30.4(5) 3 2 ?
O3A Al1 O3B 50.2(7) 7_557 2 ?
O3A Al1 O3B 129.8(7) . 2 ?
O3A Al1 O3B 99.8(5) 8_557 2 ?
O3A Al1 O3B 80.2(5) 2 2 ?
O3B Al1 O3B 107.5(6) . 2 ?
O3B Al1 O3B 72.5(6) 9_557 2 ?
O3B Al1 O3B 107.5(5) 3 2 ?
O3B Al1 O3B 180.0 8_557 2 ?
O3A Al1 O3B 129.8(7) 9_557 7_557 ?
O3A Al1 O3B 50.2(7) 3 7_557 ?
O3A Al1 O3B 80.2(5) 7_557 7_557 ?
O3A Al1 O3B 99.8(5) . 7_557 ?
O3A Al1 O3B 30.4(5) 8_557 7_557 ?
O3A Al1 O3B 149.6(5) 2 7_557 ?
O3B Al1 O3B 180.0 . 7_557 ?
O3B Al1 O3B 107.5(6) 9_557 7_557 ?
O3B Al1 O3B 72.5(5) 3 7_557 ?
O3B Al1 O3B 107.5(6) 8_557 7_557 ?
O3B Al1 O3B 72.5(5) 2 7_557 ?
O1 Al2 O1 112.1(4) 2_665 . ?
O1 Al2 O2 122.1(3) 2_665 4_556 ?
O1 Al2 O2 122.1(3) . 4_556 ?
O1 Al2 O2 122.1(3) 2_665 . ?
O1 Al2 O2 122.1(3) . . ?
O2 Al2 O2 36.3(16) 4_556 . ?
O1 Al2 O3B 103.3(3) 2_665 12 ?
O1 Al2 O3B 81.9(3) . 12 ?
O2 Al2 O3B 67.8(8) 4_556 12 ?
O2 Al2 O3B 103.1(8) . 12 ?
O1 Al2 O3B 81.9(3) 2_665 8_557 ?
O1 Al2 O3B 103.3(3) . 8_557 ?
O2 Al2 O3B 103.1(8) 4_556 8_557 ?
O2 Al2 O3B 67.8(8) . 8_557 ?
O3B Al2 O3B 170.9(6) 12 8_557 ?
O1 Al2 O3A 103.3(3) 2_665 9_557 ?
O1 Al2 O3A 81.9(3) . 9_557 ?
O2 Al2 O3A 103.1(8) 4_556 9_557 ?
O2 Al2 O3A 67.8(8) . 9_557 ?
O3B Al2 O3A 152.5(4) 12 9_557 ?
O3B Al2 O3A 25.9(4) 8_557 9_557 ?
O1 Al2 O3A 81.9(3) 2_665 10 ?
O1 Al2 O3A 103.3(3) . 10 ?
O2 Al2 O3A 67.8(8) 4_556 10 ?
O2 Al2 O3A 103.1(8) . 10 ?
O3B Al2 O3A 25.9(4) 12 10 ?
O3B Al2 O3A 152.5(4) 8_557 10 ?
O3A Al2 O3A 170.9(6) 9_557 10 ?
O1 Al2 Sr1 135.37(16) 2_665 4_556 ?
O1 Al2 Sr1 43.78(14) . 4_556 ?
O2 Al2 Sr1 81.5(4) 4_556 4_556 ?
O2 Al2 Sr1 99.5(4) . 4_556 ?
O3B Al2 Sr1 47.0(3) 12 4_556 ?
O3B Al2 Sr1 133.1(3) 8_557 4_556 ?
O3A Al2 Sr1 107.2(3) 9_557 4_556 ?
O3A Al2 Sr1 72.9(3) 10 4_556 ?
O1 Al2 Sr1 135.37(16) 2_665 . ?
O1 Al2 Sr1 43.77(15) . . ?
O2 Al2 Sr1 99.5(4) 4_556 . ?
O2 Al2 Sr1 81.5(4) . . ?
O3B Al2 Sr1 107.2(3) 12 . ?
O3B Al2 Sr1 72.9(3) 8_557 . ?
O3A Al2 Sr1 47.0(3) 9_557 . ?
O3A Al2 Sr1 133.1(3) 10 . ?
Sr1 Al2 Sr1 60.39(2) 4_556 . ?
O1 Al2 Sr1 43.78(14) 2_665 1_655 ?
O1 Al2 Sr1 135.37(16) . 1_655 ?
O2 Al2 Sr1 99.5(4) 4_556 1_655 ?
O2 Al2 Sr1 81.5(4) . 1_655 ?
O3B Al2 Sr1 133.1(3) 12 1_655 ?
O3B Al2 Sr1 47.0(3) 8_557 1_655 ?
O3A Al2 Sr1 72.9(3) 9_557 1_655 ?
O3A Al2 Sr1 107.2(3) 10 1_655 ?
Sr1 Al2 Sr1 178.93(7) 4_556 1_655 ?
Sr1 Al2 Sr1 119.59(2) . 1_655 ?
O1 Al2 Sr1 43.78(14) 2_665 4_656 ?
O1 Al2 Sr1 135.37(16) . 4_656 ?
O2 Al2 Sr1 81.5(4) 4_556 4_656 ?
O2 Al2 Sr1 99.5(4) . 4_656 ?
O3B Al2 Sr1 72.9(3) 12 4_656 ?
O3B Al2 Sr1 107.2(3) 8_557 4_656 ?
O3A Al2 Sr1 133.1(3) 9_557 4_656 ?
O3A Al2 Sr1 47.0(3) 10 4_656 ?
Sr1 Al2 Sr1 119.59(2) 4_556 4_656 ?
Sr1 Al2 Sr1 178.93(7) . 4_656 ?
Sr1 Al2 Sr1 60.39(2) 1_655 4_656 ?
Al2 O1 Al2 127.9(4) 3_565 . ?
Al2 O1 Sr1 108.55(11) 3_565 . ?
Al2 O1 Sr1 108.55(11) . . ?
Al2 O1 Sr1 108.55(11) 3_565 4_556 ?
Al2 O1 Sr1 108.54(11) . 4_556 ?
Sr1 O1 Sr1 87.1(2) . 4_556 ?
O2 O2 Al2 71.9(8) 4_556 . ?
O2 O2 Al2 71.9(8) 4_556 2 ?
Al2 O2 Al2 110.8(8) . 2 ?
O2 O2 Al2 71.9(8) 4_556 3 ?
Al2 O2 Al2 110.8(8) . 3 ?
Al2 O2 Al2 110.8(8) 2 3 ?
O2 O2 Al1 180.0 4_556 . ?
Al2 O2 Al1 108.1(8) . . ?
Al2 O2 Al1 108.1(8) 2 . ?
Al2 O2 Al1 108.1(8) 3 . ?
O3B O3A O3B 117.4(15) 3 8_557 ?
O3B O3A Al1 75.0(9) 3 . ?
O3B O3A Al1 65.0(6) 8_557 . ?
O3B O3A Al2 76.4(13) 3 8_557 ?
O3B O3A Al2 162.0(9) 8_557 8_557 ?
Al1 O3A Al2 111.2(6) . 8_557 ?
O3B O3A Sr1 79.7(11) 3 1_655 ?
O3B O3A Sr1 77.5(7) 8_557 1_655 ?
Al1 O3A Sr1 116.2(7) . 1_655 ?
Al2 O3A Sr1 118.1(5) 8_557 1_655 ?
O3B O3A Sr1 173.1(14) 3 7_567 ?
O3B O3A Sr1 69.1(6) 8_557 7_567 ?
Al1 O3A Sr1 111.0(5) . 7_567 ?
Al2 O3A Sr1 97.8(5) 8_557 7_567 ?
Sr1 O3A Sr1 100.0(4) 1_655 7_567 ?
O3A O3B O3A 116.2(15) 2 9_557 ?
O3A O3B Al1 74.6(9) 2 . ?
O3A O3B Al1 64.8(6) 9_557 . ?
O3A O3B Al2 77.7(13) 2 9_557 ?
O3A O3B Al2 162.0(9) 9_557 9_557 ?
Al1 O3B Al2 111.5(6) . 9_557 ?
O3A O3B Sr1 79.1(11) 2 . ?
O3A O3B Sr1 77.2(7) 9_557 . ?
Al1 O3B Sr1 115.8(7) . . ?
Al2 O3B Sr1 118.3(5) 9_557 . ?
O3A O3B Sr1 174.2(13) 2 7_567 ?
O3A O3B Sr1 68.8(6) 9_557 7_567 ?
Al1 O3B Sr1 110.8(5) . 7_567 ?
Al2 O3B Sr1 98.0(5) 9_557 7_567 ?
Sr1 O3B Sr1 99.8(4) . 7_567 ?

_refine_diff_density_max         2.733
_refine_diff_density_min         -3.376
_refine_diff_density_rms         0.389

_shelxl_version_number           2014-3


# start Validation Reply Form

_vrf_PLAT029_yellow-SEAO         
;
PROBLEM: _diffrn_measured_fraction_theta_full Low .......      0.894 Note
RESPONSE: The data is collected using the APS, a third generation synchrotron, using a single phi scan.
;

# end Validation Reply Form
_database_code_depnum_ccdc_archive 'CCDC 1014490'
