# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_KTiPO4F
_database_code_depnum_ccdc_archive 'CCDC 2322550'
loop_
_audit_author_name
_audit_author_address
'Vahid Ramezankhani'
;Skolkovo Institute of Science and Technology
Russia
;
_audit_update_record             
;
2023-12-29 deposited with the CCDC.	2024-06-12 downloaded from the CCDC.
;
_pd_block_id                     
2022-05-07T19:17|KTiPO4F-|noname|KTPF.SYNCRTRON
_audit_creation_method           'created in GSAS-II'
_audit_creation_date             2023-12-07T19:17

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA


# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was  
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions

_pd_proc_info_datetime           2023-12-07T19:17
_pd_calc_method                  'Rietveld Refinement'
_computing_structure_refinement  
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_goodness_of_fit_all   2.012
_refine_ls_shift/su_max          0.0805

# OVERALL WEIGHTED R-FACTOR
_refine_ls_wR_factor_obs         0.02540

# Standard version of Phase_Template template follows
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and 
# natural products
_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS-II



# phase info for F K O4 P Ti follows
_pd_phase_name                   'F K O4 P Ti'
_cell_length_a                   13.003536
_cell_length_b                   6.430554
_cell_length_c                   10.764258
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     900.107
_exptl_crystal_density_diffrn    2.9721
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2+z
3 1/2+x,1/2-y,z
4 -x,-y,1/2+z

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
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_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
K1 K 0.37627 0.77861 0.30579 0.709(5) Uiso 0.0197 4
K1' K 0.41227 0.85248 0.44287 0.260(7) Uiso 0.0144 4
K2 K 0.11309 0.65821 0.02351 0.176(6) Uiso 0.0402 4
K2_ K 0.08923 0.68735 0.16595 0.300(7) Uiso 0.0454 4
K2'_ K 0.10932 0.72303 0.07335 0.576(7) Uiso 0.0173 4
Ti1 Ti 0.38670 0.49510 0.00220 1.0000 Uiso 0.0255 4
Ti2 Ti 0.24480 0.25740 0.25640 1.0000 Uiso 0.0255 4
P1 P 0.50020 0.32920 0.25730 1.0000 Uiso 0.0157 4
P2 P 0.17980 0.50390 0.50540 1.0000 Uiso 0.0157 4
O1 O 0.47580 0.49030 0.15450 1.0000 Uiso 0.0080 4
O2 O 0.49810 0.45670 0.38030 1.0000 Uiso 0.0080 4
O3 O 0.40450 0.20170 0.28040 1.0000 Uiso 0.0080 4
O4 O 0.59530 0.18930 0.23860 1.0000 Uiso 0.0080 4
O5 O 0.12200 0.30820 0.54540 1.0000 Uiso 0.0080 4
O6 O 0.10660 0.68620 0.48420 1.0000 Uiso 0.0080 4
O7 O 0.25740 0.54000 0.61120 1.0000 Uiso 0.0080 4
O8 O 0.24590 0.46300 0.38890 1.0000 Uiso 0.0080 4
F1 F 0.27060 0.53400 0.88450 1.0000 Uiso 0.0208 4
F2 F 0.27520 0.49400 0.13080 1.0000 Uiso 0.0208 4

loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_length_neutron
_atom_type_scat_source
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_dispersion_source
F 8 3.5392 2.6412 1.517 1.0243 10.2825 4.2944 0.2615 26.1476 0.2776 0.5654
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.017 0.010
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py
K 8.085 8.2186 7.4398 1.0519 0.8659 12.7949 0.7748 213.187 41.6841 1.4228 0.367
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.197 0.243
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py
O 32 3.0485 2.2868 1.5463 0.867 13.2771 5.7011 0.3239 32.9089 0.2508 0.5805
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.010 0.006
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py
P 8 6.4345 4.1791 1.78 1.4908 1.9067 27.157 0.526 68.1645 1.1149 0.513
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.100 0.092
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py
Ti 8 9.7595 7.3558 1.6991 1.9021 7.8508 0.5 35.6338 116.105 1.2807 -0.337
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.272 0.434
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py

# Note that Z affects _cell_formula_sum and _weight
_cell_formula_units_Z            4
_chemical_formula_sum            'F2 K2.021 O8 P2 Ti2'
_chemical_formula_weight         402.77

# MOLECULAR GEOMETRY
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K1 K1' 1.61931 1_555 1_555 yes
K1 K2 3.38682 1_555 2_555 yes
K1 K2 4.34519 1_555 3_565 yes
K1 K2_ 4.06713 1_555 1_555 yes
K1 K2_ 3.15948 1_555 3_565 yes
K1 K2'_ 4.29387 1_555 1_555 yes
K1 K2'_ 4.06172 1_555 2_555 yes
K1 K2'_ 3.92993 1_555 3_565 yes
K1 Ti2 3.56157 1_555 1_565 yes
K1 P1 3.34982 1_555 1_555 yes
K1 O1 2.78646 1_555 1_555 yes
K1 O2 2.72731 1_555 1_555 yes
K1 O3 2.75893 1_555 1_565 yes
K1 O5 2.80942 1_555 2_554 yes
K1 O8 2.79165 1_555 1_555 yes
K1 F1 2.65753 1_555 2_554 yes
K1 F2 2.93681 1_555 1_555 yes
K1' K1 1.61931 1_555 1_555 yes
K1' K2 2.17429 1_555 2_555 yes
K1' K2_ 3.22555 1_555 2_555 yes
K1' K2_ 3.77432 1_555 3_565 yes
K1' K2'_ 4.29367 1_555 2_545 yes
K1' K2'_ 2.7802 1_555 2_555 yes
K1' Ti1 3.49814 1_555 4_665 yes
K1' O2 2.85948 1_555 1_555 yes
K1' O3 2.84811 1_555 1_565 yes
K1' O6 2.57782 1_555 3_565 yes
K1' F1 2.72253 1_555 2_554 yes
K1' F2 3.29598 1_555 2_555 yes
K2 K1 3.38682 1_555 2_544 yes
K2 K1 4.34519 1_555 3_465 yes
K2 K1' 2.17429 1_555 2_544 yes
K2 K2_ 1.57555 1_555 1_555 yes
K2 K2'_ 0.68113 1_555 1_555 yes
K2 Ti2 3.47691 1_555 2_554 yes
K2 P1 3.40449 1_555 2_554 yes
K2 O2 2.85501 1_555 2_554 yes
K2 O3 2.64173 1_555 2_554 yes
K2 O5 3.07363 1_555 4_564 yes
K2 O8 3.05013 1_555 2_554 yes
K2 F1 2.65938 1_555 1_554 yes
K2 F2 2.62539 1_555 1_555 yes
K2_ K1 4.06713 1_555 1_555 yes
K2_ K1 3.15948 1_555 3_465 yes
K2_ K1' 3.22555 1_555 2_544 yes
K2_ K1' 3.77432 1_555 3_465 yes
K2_ K2 1.57555 1_555 1_555 yes
K2_ K2'_ 1.05573 1_555 1_555 yes
K2_ Ti2 3.56154 1_555 1_555 yes
K2_ O1 2.54707 1_555 3_465 yes
K2_ O4 2.54642 1_555 3_455 yes
K2_ O5 3.038 1_555 4_564 yes
K2_ O7 3.07689 1_555 2_554 yes
K2_ F2 2.74538 1_555 1_555 yes
K2'_ K1 4.29387 1_555 1_555 yes
K2'_ K1 4.06172 1_555 2_544 yes
K2'_ K1 3.92993 1_555 3_465 yes
K2'_ K1' 2.7802 1_555 2_544 yes
K2'_ K1' 4.29367 1_555 2_554 yes
K2'_ K2 0.68113 1_555 1_555 yes
K2'_ K2_ 1.05573 1_555 1_555 yes
K2'_ Ti1 3.50034 1_555 3_465 yes
K2'_ P2 3.364 1_555 2_554 yes
K2'_ O1 2.6788 1_555 3_465 yes
K2'_ O2 2.92017 1_555 2_554 yes
K2'_ O5 3.0297 1_555 4_564 yes
K2'_ O7 2.70631 1_555 2_554 yes
K2'_ F1 3.16356 1_555 1_554 yes
K2'_ F2 2.68405 1_555 1_555 yes
Ti1 K1' 3.49814 1_555 4_664 yes
Ti1 K2'_ 3.50034 1_555 3_565 yes
Ti1 O1 2.00773 1_555 1_555 yes
Ti1 O2 2.01541 1_555 4_664 yes
Ti1 O5 2.0695 1_555 2_554 yes
Ti1 O6 1.99773 1_555 2_544 yes
Ti1 F1 1.9867 1_555 1_554 yes
Ti1 F2 2.00462 1_555 1_555 yes
Ti2 K1 3.56157 1_555 1_545 yes
Ti2 K2 3.47691 1_555 2_545 yes
Ti2 K2_ 3.56154 1_555 1_555 yes
Ti2 O3 2.1231 1_555 1_555 yes
Ti2 O4 1.98329 1_555 3_455 yes
Ti2 O7 2.09717 1_555 2_544 yes
Ti2 O8 1.94485 1_555 1_555 yes
Ti2 F1 2.00131 1_555 2_544 yes
Ti2 F2 2.07341 1_555 1_555 yes
P1 K1 3.34982 1_555 1_555 yes
P1 K2 3.40449 1_555 2_545 yes
P1 O1 1.54867 1_555 1_555 yes
P1 O2 1.55755 1_555 1_555 yes
P1 O3 1.51086 1_555 1_555 yes
P1 O4 1.54244 1_555 1_555 yes
P2 K2'_ 3.364 1_555 2_545 yes
P2 O5 1.52775 1_555 1_555 yes
P2 O6 1.52721 1_555 1_555 yes
P2 O7 1.53919 1_555 1_555 yes
P2 O8 1.54291 1_555 1_555 yes
O1 K1 2.78646 1_555 1_555 yes
O1 K2_ 2.54707 1_555 3_565 yes
O1 K2'_ 2.6788 1_555 3_565 yes
O1 Ti1 2.00773 1_555 1_555 yes
O1 P1 1.54867 1_555 1_555 yes
O2 K1 2.72731 1_555 1_555 yes
O2 K1' 2.85948 1_555 1_555 yes
O2 K2 2.85501 1_555 2_545 yes
O2 K2'_ 2.92017 1_555 2_545 yes
O2 Ti1 2.01541 1_555 4_665 yes
O2 P1 1.55755 1_555 1_555 yes
O3 K1 2.75893 1_555 1_545 yes
O3 K1' 2.84811 1_555 1_545 yes
O3 K2 2.64173 1_555 2_545 yes
O3 Ti2 2.1231 1_555 1_555 yes
O3 P1 1.51086 1_555 1_555 yes
O4 K2_ 2.54642 1_555 3_555 yes
O4 Ti2 1.98329 1_555 3_555 yes
O4 P1 1.54244 1_555 1_555 yes
O5 K1 2.80942 1_555 2_545 yes
O5 K2 3.07363 1_555 4_565 yes
O5 K2_ 3.038 1_555 4_565 yes
O5 K2'_ 3.0297 1_555 4_565 yes
O5 Ti1 2.0695 1_555 2_545 yes
O5 P2 1.52775 1_555 1_555 yes
O6 K1' 2.57782 1_555 3_465 yes
O6 Ti1 1.99773 1_555 2_555 yes
O6 P2 1.52721 1_555 1_555 yes
O7 K2_ 3.07689 1_555 2_545 yes
O7 K2'_ 2.70631 1_555 2_545 yes
O7 Ti2 2.09717 1_555 2_555 yes
O7 P2 1.53919 1_555 1_555 yes
O8 K1 2.79165 1_555 1_555 yes
O8 K2 3.05013 1_555 2_545 yes
O8 Ti2 1.94485 1_555 1_555 yes
O8 P2 1.54291 1_555 1_555 yes
F1 K1 2.65753 1_555 2_545 yes
F1 K1' 2.72253 1_555 2_545 yes
F1 K2 2.65938 1_555 1_556 yes
F1 K2'_ 3.16356 1_555 1_556 yes
F1 Ti1 1.9867 1_555 1_556 yes
F1 Ti2 2.00131 1_555 2_555 yes
F2 K1 2.93681 1_555 1_555 yes
F2 K1' 3.29598 1_555 2_544 yes
F2 K2 2.62539 1_555 1_555 yes
F2 K2_ 2.74538 1_555 1_555 yes
F2 K2'_ 2.68405 1_555 1_555 yes
F2 Ti1 2.00462 1_555 1_555 yes
F2 Ti2 2.07341 1_555 1_555 yes

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
K1' K1 K2 31.371 1_555 1_555 2_555 yes
K1' K1 K2_ 99.228 1_555 1_555 3_565 yes
K2 K1 K2_ 104.118 2_555 1_555 3_565 yes
K1' K1 K2'_ 110.975 1_555 1_555 3_565 yes
K2 K1 K2'_ 114.266 2_555 1_555 3_565 yes
K2_ K1 K2'_ 11.757 3_565 1_555 3_565 yes
K1' K1 O2 77.686 1_555 1_555 1_555 yes
K2 K1 O2 108.652 2_555 1_555 1_555 yes
K2_ K1 O2 71.552 3_565 1_555 1_555 yes
K2'_ K1 O2 74.767 3_565 1_555 1_555 yes
K1' K1 O3 76.26 1_555 1_555 1_565 yes
K2 K1 O3 49.634 2_555 1_555 1_565 yes
K2_ K1 O3 76.577 3_565 1_555 1_565 yes
K2'_ K1 O3 80.617 3_565 1_555 1_565 yes
O2 K1 O3 134.454 1_555 1_555 1_565 yes
K1' K1 F1 74.691 1_555 1_555 2_554 yes
K2 K1 F1 50.456 2_555 1_555 2_554 yes
K2_ K1 F1 137.643 3_565 1_555 2_554 yes
K2'_ K1 F1 139.36 3_565 1_555 2_554 yes
O2 K1 F1 142.442 1_555 1_555 2_554 yes
O3 K1 F1 61.17 1_565 1_555 2_554 yes
K1' K1 F2 153.722 1_555 1_555 1_555 yes
K2 K1 F2 155.683 2_555 1_555 1_555 yes
K2_ K1 F2 97.461 3_565 1_555 1_555 yes
K2'_ K1 F2 86.278 3_565 1_555 1_555 yes
O2 K1 F2 88.6 1_555 1_555 1_555 yes
O3 K1 F2 127.631 1_565 1_555 1_555 yes
F1 K1 F2 105.546 2_554 1_555 1_555 yes
K1 K1' K2 125.817 1_555 1_555 2_555 yes
K1 K1' K2_ 150.75 1_555 1_555 2_555 yes
K2 K1' K2_ 25.603 2_555 1_555 2_555 yes
K1 K1' K2_ 55.717 1_555 1_555 3_565 yes
K2 K1' K2_ 117.978 2_555 1_555 3_565 yes
K2_ K1' K2_ 129.566 2_555 1_555 3_565 yes
K1 K1' K2'_ 133.045 1_555 1_555 2_555 yes
K2 K1' K2'_ 7.256 2_555 1_555 2_555 yes
K2_ K1' K2'_ 18.393 2_555 1_555 2_555 yes
K2_ K1' K2'_ 121.247 3_565 1_555 2_555 yes
K1 K1' O6 114.355 1_555 1_555 3_565 yes
K2 K1' O6 99.615 2_555 1_555 3_565 yes
K2_ K1' O6 86.668 2_555 1_555 3_565 yes
K2_ K1' O6 62.104 3_565 1_555 3_565 yes
K2'_ K1' O6 95.424 2_555 1_555 3_565 yes
K1 K1' F1 70.302 1_555 1_555 2_554 yes
K2 K1' F1 64.658 2_555 1_555 2_554 yes
K2_ K1' F1 83.124 2_555 1_555 2_554 yes
K2_ K1' F1 112.294 3_565 1_555 2_554 yes
K2'_ K1' F1 70.177 2_555 1_555 2_554 yes
O6 K1' F1 159.621 3_565 1_555 2_554 yes
K1 K2 K1' 22.812 2_544 1_555 2_544 yes
K1 K2 K2_ 140.103 2_544 1_555 1_555 yes
K1' K2 K2_ 117.789 2_544 1_555 1_555 yes
K1 K2 K2'_ 171.504 2_544 1_555 1_555 yes
K1' K2 K2'_ 148.969 2_544 1_555 1_555 yes
K2_ K2 K2'_ 31.412 1_555 1_555 1_555 yes
K1 K2 O3 52.724 2_544 1_555 2_554 yes
K1' K2 O3 71.766 2_544 1_555 2_554 yes
K2_ K2 O3 159.132 1_555 1_555 2_554 yes
K2'_ K2 O3 135.172 1_555 1_555 2_554 yes
K1 K2 F1 50.408 2_544 1_555 1_554 yes
K1' K2 F1 67.703 2_544 1_555 1_554 yes
K2_ K2 F1 137.303 1_555 1_555 1_554 yes
K2'_ K2 F1 133.025 1_555 1_555 1_554 yes
O3 K2 F1 62.683 2_554 1_555 1_554 yes
K1 K2 F2 88.951 2_544 1_555 1_555 yes
K1' K2 F2 86.2 2_544 1_555 1_555 yes
K2_ K2 F2 77.164 1_555 1_555 1_555 yes
K2'_ K2 F2 87.556 1_555 1_555 1_555 yes
O3 K2 F2 123.219 2_554 1_555 1_555 yes
F1 K2 F2 60.547 1_554 1_555 1_555 yes
K1 K2_ K1' 113.304 3_465 1_555 2_544 yes
K1 K2_ K1' 25.055 3_465 1_555 3_465 yes
K1' K2_ K1' 122.612 2_544 1_555 3_465 yes
K1 K2_ K2 130.124 3_465 1_555 1_555 yes
K1' K2_ K2 36.608 2_544 1_555 1_555 yes
K1' K2_ K2 151.707 3_465 1_555 1_555 yes
K1 K2_ K2'_ 130.669 3_465 1_555 1_555 yes
K1' K2_ K2'_ 56.195 2_544 1_555 1_555 yes
K1' K2_ K2'_ 155.688 3_465 1_555 1_555 yes
K2 K2_ K2'_ 19.649 1_555 1_555 1_555 yes
K1 K2_ O1 57.256 3_465 1_555 3_465 yes
K1' K2_ O1 120.249 2_544 1_555 3_465 yes
K1' K2_ O1 74.954 3_465 1_555 3_465 yes
K2 K2_ O1 99.422 1_555 1_555 3_465 yes
K2'_ K2_ O1 85.455 1_555 1_555 3_465 yes
K1 K2_ O4 86.948 3_465 1_555 3_455 yes
K1' K2_ O4 66.033 2_544 1_555 3_455 yes
K1' K2_ O4 73.251 3_465 1_555 3_455 yes
K2 K2_ O4 100.347 1_555 1_555 3_455 yes
K2'_ K2_ O4 119.274 1_555 1_555 3_455 yes
O1 K2_ O4 143.794 3_465 1_555 3_455 yes
K1 K2_ F2 150.353 3_465 1_555 1_555 yes
K1' K2_ F2 66.445 2_544 1_555 1_555 yes
K1' K2_ F2 127.962 3_465 1_555 1_555 yes
K2 K2_ F2 68.811 1_555 1_555 1_555 yes
K2'_ K2_ F2 75.539 1_555 1_555 1_555 yes
O1 K2_ F2 150.692 3_465 1_555 1_555 yes
O4 K2_ F2 65.433 3_455 1_555 1_555 yes
K1 K2'_ K1' 103.971 3_465 1_555 2_544 yes
K1 K2'_ K2 123.725 3_465 1_555 1_555 yes
K1' K2'_ K2 23.776 2_544 1_555 1_555 yes
K1 K2'_ K2_ 37.574 3_465 1_555 1_555 yes
K1' K2'_ K2_ 105.412 2_544 1_555 1_555 yes
K2 K2'_ K2_ 128.938 1_555 1_555 1_555 yes
K1 K2'_ O1 45.124 3_465 1_555 3_465 yes
K1' K2'_ O1 133.556 2_544 1_555 3_465 yes
K2 K2'_ O1 136.429 1_555 1_555 3_465 yes
K2_ K2'_ O1 71.412 1_555 1_555 3_465 yes
K1 K2'_ O7 113.578 3_465 1_555 2_554 yes
K1' K2'_ O7 141.837 2_544 1_555 2_554 yes
K2 K2'_ O7 122.24 1_555 1_555 2_554 yes
K2_ K2'_ O7 100.37 1_555 1_555 2_554 yes
O1 K2'_ O7 81.239 3_465 1_555 2_554 yes
K1 K2'_ F2 118.135 3_465 1_555 1_555 yes
K1' K2'_ F2 74.174 2_544 1_555 1_555 yes
K2 K2'_ F2 77.757 1_555 1_555 1_555 yes
K2_ K2'_ F2 82.073 1_555 1_555 1_555 yes
O1 K2'_ F2 145.422 3_465 1_555 1_555 yes
O7 K2'_ F2 82.181 2_554 1_555 1_555 yes
F1 Ti1 F2 83.753 1_554 1_555 1_555 yes
O4 Ti2 O8 87.741 3_455 1_555 1_555 yes
O4 Ti2 F1 95.309 3_455 1_555 2_544 yes
O8 Ti2 F1 89.051 1_555 1_555 2_544 yes
O4 Ti2 F2 89.832 3_455 1_555 1_555 yes
O8 Ti2 F2 88.736 1_555 1_555 1_555 yes
F1 Ti2 F2 174.318 2_544 1_555 1_555 yes
O1 P1 O2 104.576 1_555 1_555 1_555 yes
O1 P1 O3 108.171 1_555 1_555 1_555 yes
O2 P1 O3 97.546 1_555 1_555 1_555 yes
O1 P1 O4 117.463 1_555 1_555 1_555 yes
O2 P1 O4 115.596 1_555 1_555 1_555 yes
O3 P1 O4 111.428 1_555 1_555 1_555 yes
O5 P2 O6 111.579 1_555 1_555 1_555 yes
O5 P2 O7 103.782 1_555 1_555 1_555 yes
O6 P2 O7 113.791 1_555 1_555 1_555 yes
O5 P2 O8 111.267 1_555 1_555 1_555 yes
O6 P2 O8 110.892 1_555 1_555 1_555 yes
O7 P2 O8 105.181 1_555 1_555 1_555 yes
K2_ O1 K2'_ 23.133 3_565 1_555 3_565 yes
K2_ O1 P1 113.027 3_565 1_555 1_555 yes
K2'_ O1 P1 124.093 3_565 1_555 1_555 yes
K1 O2 P1 99.192 1_555 1_555 1_555 yes
K1 O3 K2 77.641 1_545 1_555 2_545 yes
K1 O3 P1 131.38 1_545 1_555 1_555 yes
K2 O3 P1 106.965 2_545 1_555 1_555 yes
K2_ O4 Ti2 102.969 3_555 1_555 3_555 yes
K2_ O4 P1 124.751 3_555 1_555 1_555 yes
Ti2 O4 P1 132.257 3_555 1_555 1_555 yes
K1' O6 P2 124.241 3_465 1_555 1_555 yes
K2'_ O7 P2 101.235 2_545 1_555 1_555 yes
Ti2 O8 P2 135.059 1_555 1_555 1_555 yes
K1 F1 K1' 35.007 2_545 1_555 2_545 yes
K1 F1 K2 79.136 2_545 1_555 1_556 yes
K1' F1 K2 47.639 2_545 1_555 1_556 yes
K1 F1 Ti1 132.192 2_545 1_555 1_556 yes
K1' F1 Ti1 117.555 2_545 1_555 1_556 yes
K2 F1 Ti1 105.323 1_556 1_555 1_556 yes
K1 F1 Ti2 98.744 2_545 1_555 2_555 yes
K1' F1 Ti2 112.294 2_545 1_555 2_555 yes
K2 F1 Ti2 95.452 1_556 1_555 2_555 yes
Ti1 F1 Ti2 127.287 1_556 1_555 2_555 yes
K1 F2 K2 113.005 1_555 1_555 1_555 yes
K1 F2 K2_ 91.349 1_555 1_555 1_555 yes
K2 F2 K2_ 34.025 1_555 1_555 1_555 yes
K1 F2 K2'_ 99.523 1_555 1_555 1_555 yes
K2 F2 K2'_ 14.687 1_555 1_555 1_555 yes
K2_ F2 K2'_ 22.388 1_555 1_555 1_555 yes
K1 F2 Ti1 96.721 1_555 1_555 1_555 yes
K2 F2 Ti1 105.996 1_555 1_555 1_555 yes
K2_ F2 Ti1 136.943 1_555 1_555 1_555 yes
K2'_ F2 Ti1 114.848 1_555 1_555 1_555 yes
K1 F2 Ti2 97.146 1_555 1_555 1_555 yes
K2 F2 Ti2 115.398 1_555 1_555 1_555 yes
K2_ F2 Ti2 94.274 1_555 1_555 1_555 yes
K2'_ F2 Ti2 113.558 1_555 1_555 1_555 yes
Ti1 F2 Ti2 126.211 1_555 1_555 1_555 yes
_pd_proc_ls_pref_orient_corr     
'March-Dollase correction coef. = 1.000 axis = [0, 0, 1]'
_pd_proc_ls_profile_function     
;
Finger-Cox-Jephcoat function parameters U, V, W, X, Y, SH/L:
  peak variance(Gauss) = Utan(Th)^2^+Vtan(Th)+W:
  peak HW(Lorentz) = X/cos(Th)+Ytan(Th); SH/L = S/L+H/L
  U, V, W in (centideg)^2^, X & Y in centideg
    38(22), 15.3(20), 0.21(5), 1.38(4), -5.6(10), -0.00015(4), 

;

# Standard version of Instrument_Template template follows
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record 
# the powder pattern when the diffractogram was measured at a laboratory 
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_source                   ?
_diffrn_source_target            ?
_diffrn_source_type              ?
_diffrn_measurement_device_type  ?
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial 
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to 
# equatorial plane

_pd_spec_size_equat              ? # parallel to 
# scattering vector 
# in transmission

_pd_spec_size_thick              ? # parallel to 
# scattering vector 
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the 
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection' 
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder' 
# 'flat_sheet' or 'irregular'


_diffrn_radiation_wavelength     0.20736
_refine_ls_R_F_factor            0.05722
_refine_ls_R_Fsqd_factor         0.05016
_pd_proc_ls_prof_R_factor        0.01873
_pd_proc_ls_prof_wR_factor       0.02540
_gsas_proc_ls_prof_R_B_factor    0.02496
_gsas_proc_ls_prof_wR_B_factor   0.03156
_pd_proc_ls_prof_wR_expected     0.01265
_diffrn_radiation_probe          x-ray
_diffrn_radiation_polarisn_ratio 0.9900
_pd_proc_ls_background_function  
;
Background function: "chebyschev-1" function with 7 terms:
    6025(4), -5531(6), 2929(6), -1122(5), 94(5), 266(4), -191(4), 
;
_diffrn_ambient_temperature      300
_diffrn_ambient_pressure         100

# STRUCTURE FACTOR TABLE
_reflns_number_total             811
_reflns_limit_h_min              0
_reflns_limit_h_max              15
_reflns_limit_k_min              0
_reflns_limit_k_max              7
_reflns_limit_l_min              0
_reflns_limit_l_max              12
_reflns_d_resolution_low         6.502
_reflns_d_resolution_high        0.851

# POWDER DATA TABLE
_pd_meas_number_of_points        6000

loop_
_pd_meas_2theta_scan
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
0.00148 0 0 0 0
0.00434 0 0 0 0
0.00720 0 0 0 0
0.01006 0 0 0 0
0.01291 0 0 0 0
0.01577 0 0 0 0
0.01863 0 0 0 0
0.02149 0 0 0 0
0.02435 0 0 0 0
0.02721 0 0 0 0
0.03006 0 0 0 0
0.03292 0 0 0 0
0.03578 0 0 0 0
0.03864 0 0 0 0
0.04150 0 0 0 0
0.04436 0 0 0 0
0.04721 0 0 0 0
0.05007 0 0 0 0
0.05293 0 0 0 0
0.05579 0 0 0 0
0.05865 0 0 0 0
0.06151 0 0 0 0
0.06436 0 0 0 0
0.06722 0 0 0 0
0.07008 0 0 0 0
0.07294 0 0 0 0
0.07580 0 0 0 0
0.07865 0 0 0 0
0.08151 0 0 0 0
0.08437 0 0 0 0
0.08723 0 0 0 0
0.09009 0 0 0 0
0.09295 0 0 0 0
0.09580 0 0 0 0
0.09866 0 0 0 0
0.10152 0 0 0 0
0.10438 0 0 0 0
0.10724 0 0 0 0
0.11010 0 0 0 0
0.11295 0 0 0 0
0.11581 0 0 0 0
0.11867 0 0 0 0
0.12153 0 0 0 0
0.12439 0 0 0 0
0.12724 0 0 0 0
0.13010 0 0 0 0
0.13296 0 0 0 0
0.13582 0 0 0 0
0.13868 0 0 0 0
0.14154 0 0 0 0
0.14439 0 0 0 0
0.14725 0 0 0 0
0.15011 0 0 0 0
0.15297 0 0 0 0
0.15583 0 0 0 0
0.15869 0 0 0 0
0.16154 0 0 0 0
0.16440 0 0 0 0
0.16726 0 0 0 0
0.17012 89524.72 0 0 0
0.17298 87718.98 0 0 0
0.17583 83097.51 0 0 0
0.17869 80076.9 0 0 0
0.18155 76489.87 0 0 0
0.18441 72954.86 0 0 0
0.18727 70333.84 0 0 0
0.19013 67632.43 0 0 0
0.19298 64688.42 0 0 0
0.19584 62272.16 0 0 0
0.19870 59952.83 0 0 0
0.20156 57650.37 0 0 0
0.20442 55577.78 0 0 0
0.20728 53502.82 0 0 0
0.21013 51736.8 0 0 0
0.21299 49801.08 0 0 0
0.21585 48146.86 0 0 0
0.21871 46536.43 0 0 0
0.22157 44906.03 0 0 0
0.22443 43627.3 0 0 0
0.22728 42315.8 0 0 0
0.23014 40734.65 0 0 0
0.23300 39775.2 0 0 0
0.23586 38573.98 0 0 0
0.23872 37493.82 0 0 0
0.24157 36172.8 0 0 0
0.24443 35247.72 0 0 0
0.24729 34358.41 0 0 0
0.25015 33368.26 0 0 0
0.25301 32535.38 0 0 0
0.25587 31784.8 0 0 0
0.25872 30956.47 0 0 0
0.26158 30233.9 0 0 0
0.26444 29478.57 0 0 0
0.26730 28751.6 0 0 0
0.27016 28232.47 0 0 0
0.27302 27661.18 0 0 0
0.27587 27164.92 0 0 0
0.27873 26333.61 0 0 0
0.28159 26040.56 0 0 0
0.28445 25563.58 0 0 0
0.28731 25212.99 0 0 0
0.29016 24604.08 0 0 0
0.29302 24318.98 0 0 0
0.29588 23920.92 0 0 0
0.29874 23536.53 0 0 0
0.30160 23121.97 0 0 0
0.30446 22763.32 0 0 0
0.30731 22326.92 0 0 0
0.31017 22114.82 0 0 0
0.31303 21751.39 0 0 0
0.31589 21547.96 0 0 0
0.31875 21195.79 0 0 0
0.32161 21110.81 0 0 0
0.32446 20699.95 0 0 0
0.32732 20481.62 0 0 0
0.33018 20341.18 0 0 0
0.33304 19926.63 0 0 0
0.33590 19793.21 0 0 0
0.33875 19637.23 0 0 0
0.34161 19328.36 0 0 0
0.34447 19161.61 0 0 0
0.34733 19143.37 0 0 0
0.35019 18948.74 0 0 0
0.35305 18700.18 0 0 0
0.35590 18607.54 0 0 0
0.35876 18450.86 0 0 0
0.36162 18389.46 0 0 0
0.36448 18173.1 0 0 0
0.36734 18023.54 0 0 0
0.37020 17772.5 0 0 0
0.37305 17899.17 0 0 0
0.37591 17754.4 0 0 0
0.37877 17564.63 0 0 0
0.38163 17479.08 0 0 0
0.38449 17416.65 0 0 0
0.38734 17315.64 0 0 0
0.39020 17301.57 0 0 0
0.39306 17207.83 0 0 0
0.39592 16965.09 0 0 0
0.39878 17069.41 0 0 0
0.40164 16884.81 0 0 0
0.40449 16846.77 0 0 0
0.40735 16828.07 0 0 0
0.41021 16584.06 0 0 0
0.41307 16658.98 0 0 0
0.41593 16537 0 0 0
0.41879 16511.45 0 0 0
0.42164 16534.33 0 0 0
0.42450 16458.69 0 0 0
0.42736 16367.48 0 0 0
0.43022 16405.62 0 0 0
0.43308 16255.78 0 0 0
0.43594 16131 0 0 0
0.43879 16315.02 0 0 0
0.44165 16105.45 0 0 0
0.44451 16268.41 0 0 0
0.44737 16068.83 0 0 0
0.45023 16054.11 0 0 0
0.45308 16081.58 0 0 0
0.45594 16076.3 0 0 0
0.45880 15914.19 0 0 0
0.46166 16001.53 0 0 0
0.46452 15872.21 0 0 0
0.46738 15870.61 0 0 0
0.47023 15822.43 0 0 0
0.47309 15790.36 0 0 0
0.47595 15842.83 0 0 0
0.47881 15735 0 0 0
0.48167 15770.21 0 0 0
0.48453 15716.03 0 0 0
0.48738 15722.15 0 0 0
0.49024 15707.04 0 0 0
0.49310 15633.67 0 0 0
0.49596 15762.08 0 0 0
0.49882 15696.13 0 0 0
0.50167 15712.59 0 0 0
0.50453 15670.59 0 0 0
0.50739 15777.81 0 0 0
0.51025 15841.14 0 0 0
0.51311 15768.78 0 0 0
0.51597 15705.91 0 0 0
0.51882 15848.46 0 0 0
0.52168 15681.67 0 0 0
0.52454 15808.81 0 0 0
0.52740 15794.84 0 0 0
0.53026 15828.04 0 0 0
0.53312 15711.52 0 0 0
0.53597 15685.34 0 0 0
0.53883 15788.3 0 0 0
0.54169 15676.28 0 0 0
0.54455 15666.11 0 0 0
0.54741 15707.71 0 0 0
0.55026 15702.02 0 0 0
0.55312 15713.47 0 0 0
0.55598 15730.88 0 0 0
0.55884 15721.36 0 0 0
0.56170 15687.28 0 0 0
0.56456 15690.87 0 0 0
0.56741 15739.19 0 0 0
0.57027 15754.14 0 0 0
0.57313 15689.29 0 0 0
0.57599 15721.7 0 0 0
0.57885 15736.65 0 0 0
0.58171 15745.92 0 0 0
0.58456 15815.82 0 0 0
0.58742 15767.14 0 0 0
0.59028 15778.61 0 0 0
0.59314 15676.71 0 0 0
0.59600 15686.13 0 0 0
0.59885 15679.89 0 0 0
0.60171 15724.63 0 0 0
0.60457 15811.2 0 0 0
0.60743 15797.46 0 0 0
0.61029 15654.24 0 0 0
0.61315 15685.91 0 0 0
0.61600 15640.73 0 0 0
0.61886 15762.33 0 0 0
0.62172 15784.91 0 0 0
0.62458 15609.93 0 0 0
0.62744 15625.95 0 0 0
0.63030 15738.44 0 0 0
0.63315 15644.43 0 0 0
0.63601 15570.1 0 0 0
0.63887 15676.18 0 0 0
0.64173 15663.91 0 0 0
0.64459 15615.45 0 0 0
0.64745 15682.68 0 0 0
0.65030 15737.02 0 0 0
0.65316 15681.7 0 0 0
0.65602 15623.03 0 0 0
0.65888 15754.7 0 0 0
0.66174 15754.29 0 0 0
0.66459 15679.88 0 0 0
0.66745 15664.12 0 0 0
0.67031 15733.04 0 0 0
0.67317 15732.64 0 0 0
0.67603 15580.14 0 0 0
0.67889 15590.08 0 0 0
0.68174 15748.49 0 0 0
0.68460 15535.82 0 0 0
0.68746 15596.43 0 0 0
0.69032 15675.63 0 0 0
0.69318 15676.73 0 0 0
0.69604 15583.05 0 0 0
0.69889 15729.43 0 0 0
0.70175 15692.82 0 0 0
0.70461 15641.36 0 0 0
0.70747 15570.63 0 0 0
0.71033 15582.05 0 0 0
0.71318 15641.66 0 0 0
0.71604 15675.94 0 0 0
0.71890 15685.8 0 0 0
0.72176 15658.94 0 0 0
0.72462 15586.69 0 0 0
0.72748 15597.99 0 0 0
0.73033 15511.71 0 0 0
0.73319 15617.2 0 0 0
0.73605 15562.99 0 0 0
0.73891 15640.93 0 0 0
0.74177 15652.75 0 0 0
0.74463 15587.81 0 0 0
0.74748 15609.4 0 0 0
0.75034 15609.58 0 0 0
0.75320 15457.81 0 0 0
0.75606 15557.83 0 0 0
0.75892 15579.83 0 0 0
0.76177 15546.7 0 0 0
0.76463 15589.39 0 0 0
0.76749 15531.01 0 0 0
0.77035 15562.05 0 0 0
0.77321 15537.65 0 0 0
0.77607 15586.88 0 0 0
0.77892 15616.13 0 0 0
0.78178 15606.88 0 0 0
0.78464 15549.86 0 0 0
0.78750 15537.92 0 0 0
0.79036 15595.83 0 0 0
0.79322 15557.33 0 0 0
0.79607 15599.14 0 0 0
0.79893 15506.17 0 0 0
0.80179 15523.64 0 0 0
0.80465 15434.26 0 0 0
0.80751 15641.52 0 0 0
0.81037 15542.92 0 0 0
0.81322 15512.8 0 0 0
0.81608 15430.76 0 0 0
0.81894 15556.28 0 0 0
0.82180 15508.52 0 0 0
0.82466 15453.48 0 0 0
0.82751 15520.82 0 0 0
0.83037 15472.52 0 0 0
0.83323 15535.59 0 0 0
0.83609 15337.16 0 0 0
0.83895 15426.5 0 0 0
0.84181 15464.53 0 0 0
0.84466 15387.48 0 0 0
0.84752 15418.34 0 0 0
0.85038 15475.73 0 0 0
0.85324 15411.42 0 0 0
0.85610 15475.52 0 0 0
0.85896 15400.83 0 0 0
0.86181 15476.98 0 0 0
0.86467 15434.34 0 0 0
0.86753 15458.52 0 0 0
0.87039 15366.58 0 0 0
0.87325 15437.51 0 0 0
0.87610 15382.98 0 0 0
0.87896 15435.3 0 0 0
0.88182 15391.09 0 0 0
0.88468 15488.69 0 0 0
0.88754 15398 0 0 0
0.89040 15404.15 0 0 0
0.89325 15335.19 0 0 0
0.89611 15425.93 0 0 0
0.89897 15442.69 0 0 0
0.90183 15367.83 0 0 0
0.90469 15343.44 0 0 0
0.90755 15340.69 0 0 0
0.91040 15368.97 0 0 0
0.91326 15317.3 0 0 0
0.91612 15393.86 0 0 0
0.91898 15415.53 0 0 0
0.92184 15315.93 0 0 0
0.92469 15373.48 0 0 0
0.92755 15353.03 0 0 0
0.93041 15363.96 0 0 0
0.93327 15386.11 0 0 0
0.93613 15308.31 0 0 0
0.93899 15358.49 0 0 0
0.94184 15397.23 0 0 0
0.94470 15296.91 0 0 0
0.94756 15443.28 0 0 0
0.95042 15359.24 0 0 0
0.95328 15302.65 0 0 0
0.95614 15336.92 0 0 0
0.95899 15216.75 0 0 0
0.96185 15322.6 0 0 0
0.96471 15402.47 0 0 0
0.96757 15319.77 0 0 0
0.97043 15254.67 0 0 0
0.97328 15321.41 0 0 0
0.97614 15270.03 0 0 0
0.97900 15240.15 0 0 0
0.98186 15342.72 0 0 0
0.98472 15259.09 0 0 0
0.98758 15262.96 0 0 0
0.99043 15211.79 0 0 0
0.99329 15203.03 0 0 0
0.99615 15247.45 0 0 0
0.99901 15209.02 0 0 0
1.00187 15240.04 15248.03398 15243.13512 0.0000656166
1.00473 15255.86 15241.31327 15236.38825 0.0000655486
1.00758 15225.03 15234.5783 15229.62692 0.0000656813
1.01044 15304.02 15227.82677 15222.84881 0.0000653423
1.01330 15246.8 15221.05876 15216.05399 0.0000655875
1.01616 15251.68 15214.27193 15209.24013 0.0000655665
1.01902 15189.49 15207.4711 15202.41206 0.000065835
1.02188 15058.54 15200.65396 15195.56746 0.0000664075
1.02473 15146.35 15193.82058 15188.70637 0.0000660225
1.02759 15207.89 15186.971 15181.82887 0.0000657553
1.03045 15180.27 15180.10289 15174.93259 0.000065875
1.03331 15226.34 15173.22112 15168.02242 0.0000656757
1.03617 15165.94 15166.32334 15161.09601 0.0000659372
1.03902 15263.41 15159.40961 15154.1534 0.0000655162
1.04188 15150.33 15152.47757 15147.19223 0.0000660052
1.04474 15071.05 15145.53212 15140.21742 0.0000663524
1.04760 15148.77 15138.57091 15133.2266 0.000066012
1.05046 15098.83 15131.594 15126.21982 0.0000662303
1.05332 15066.9 15124.59899 15119.19468 0.0000663707
1.05617 15079.93 15117.66052 15112.15615 0.0000663133
1.05903 15077.32 15110.63707 15105.10183 0.0000663248
1.06189 15038.89 15103.59816 15098.03179 0.0000664943
1.06475 15110.31 15096.54139 15090.9436 0.00006618
1.06761 15118.07 15089.47173 15083.84227 0.000066146
1.07046 15017.05 15082.38679 15076.72538 0.000066591
1.07332 15077.06 15075.28663 15069.59299 0.0000663259
1.07618 15126.76 15068.16882 15062.44266 0.000066108
1.07904 14991.94 15061.03839 15055.27943 0.0000667025
1.08190 15154.19 15053.89292 15048.10088 0.0000659884
1.08476 15069.69 15046.73246 15040.90705 0.0000663584
1.08761 15023.44 15039.55457 15033.69548 0.0000665627
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