# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_pi_TiP
_database_code_depnum_ccdc_archive 'CCDC 2052479'
loop_
_audit_author_name
_audit_author_address
'Artem Babaryk'
;University of Oviedo
Spain
;
_audit_update_record             
;
2020-12-25 deposited with the CCDC.	2021-04-21 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT974_pi_TiP              
;
PROBLEM: Check Calcd Negative Resid. Density on       Ti1      -2.86 eA-3  
RESPONSE: The structure suffers from stacking faults deficiency. Some portion 
of reflections has the diffuse scattering features, introducing a bias to 
|F~c~|^2 against |F~o~|^2.
;
_vrf_PLAT430_pi_TiP              
;
PROBLEM: Short Inter D...A Contact  O1       ..O4       .       2.83 Ang.  
RESPONSE: Some O...O separations within [TiO~6~] and [PO~4~] polyhedra
are comparable to donor-acceptor distances yielding false alerts.
;
_vrf_PLAT041_pi_TiP              
;
PROBLEM: Calc. and Reported SumFormula    Strings  Differ     Please Check 
RESPONSE: The formula has known from chemical analysis.
;
_vrf_PLAT043_pi_TiP              
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..       2.01 Check 
RESPONSE: Two missing H-atoms at O11 can not be located reasonably and
have been discarded from the refinements.
;
_vrf_PLAT972_pi_TiP              
;
PROBLEM: Check Calcd Resid. Dens.  0.07A   From P2             -2.03 eA-3  
RESPONSE: The structure suffers from stacking faults deficiency. Some portion 
of reflections has the diffuse scattering features, introducing a bias to 
|F~c~|^2 against |F~o~|^2.
;
# end Validation Reply Form
_chemical_name_systematic        'oxo-bis-titanium (iv) bis-phosphate dihydrate'
_chemical_formula_sum            'H4 O11 P2 Ti2'
_chemical_formula_iupac          'Ti2 P2 O11 H4'
_chemical_formula_weight         337.71
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   5.11214(16)
_cell_length_b                   14.49212(94)
_cell_length_c                   12.0453(11)
_cell_angle_alpha                90
_cell_angle_beta                 115.3080(95)
_cell_angle_gamma                90
_cell_volume                     806.74(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100
_exptl_crystal_density_diffrn    2.78424(45)
_exptl_crystal_F_000             664.0
_pd_char_colour                  white
_diffrn_ambient_temperature      100

_pd_spec_size_axial              0.5
_pd_spec_size_equat              0.4
_pd_spec_size_thick              0.4
_pd_spec_mounting                'mounted in 0.8 mm polyimide capillary'
_pd_spec_shape                   cylinder
#-----------------------------------------------------------------------------#

_pd_instr_location               
'Advanced Photon Source, Argonne National Laboratory'
_pd_calibration_special_details  
; 
Detector wavelengths, offsets and sensitivities calibrated by fitting a 12 detector scan 
of a mixture of NIST Standard Reference Materials (Si, SRM 640c and Al2O3, SRM 676a). 
Data are merged applying these calibration results to create a single pseudo-1D scan.
Calibration file: dec19/11bmb_1181.calib
;
_diffrn_radiation_probe          x-ray
_diffrn_source                   synchrotron
_diffrn_source_type              'Advanced Photon Source 11-BM (bending magnet)'
_diffrn_measurement_device_type  '11-BM High Resolution Diffractometer'
_diffrn_detector                 '12-analyzer scintillator'

_pd_meas_scan_method             cont
_pd_meas_special_details         
;
Collected using a slew-scan on the 11-BM diffractometer at the Advanced Photon Source 
;

# The following six items are used for angular dispersive measurements only.

_diffrn_radiation_wavelength     0.457904
_diffrn_radiation_monochromator  'double Si(111) with sagital focusing'

_pd_meas_2theta_range_min        2.000
_pd_meas_2theta_range_max        31.05
_pd_meas_2theta_range_inc        0.001
_refine_ls_matrix_type           full
_refine_ls_goodness_of_fit_all   1.347
_refine_ls_number_restraints     20
_refine_ls_R_I_factor            0.015
_refine_ls_shift/su_max          0.001
_reflns_number_gt                984

_computing_structure_refinement  'TOPAS v.4.2 (Bruker AXS, 2009)'

_pd_proc_ls_prof_R_factor        0.062
_pd_proc_ls_prof_wR_factor       0.083
_pd_proc_ls_prof_wR_expected     0.062

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_symmetry_multiplicity
_atom_site_adp_type
_atom_site_U_iso_or_equiv
Ti1 Ti 0.05426(52) 0.03773(15) 0.31135(15) 1 4 Biso 0.435(31)
Ti2 Ti 0.56383(49) 0.17118(14) 0.05662(17) 1 4 Biso 0.435(31)
P1 P 0.60989(70) 0.46509(21) 0.35040(20) 1 4 Biso 0.435(31)
P2 P 0.26874(66) 0.62376(20) 0.03590(21) 1 4 Biso 0.435(31)
O1 O 0.14333(98) 0.63367(24) 0.30150(35) 1 4 Biso 0.435(31)
O2 O 0.36323(74) 0.04809(19) 0.05866(27) 1 4 Biso 0.435(31)
O3 O 0.30737(63) 0.46924(29) 0.23972(39) 1 4 Biso 0.435(31)
O4 O 0.13381(59) 0.53175(34) 0.68314(24) 1 4 Biso 0.435(31)
O5 O 0.65725(96) 0.37255(21) 0.42538(27) 1 4 Biso 0.435(31)
O6 O 0.41350(61) 0.11804(33) 0.35943(31) 1 4 Biso 0.435(31)
O7 O 0.7953(11) 0.45520(20) 0.05245(26) 1 4 Biso 0.435(31)
O8 O 0.04861(61) 0.62757(31) 0.09060(23) 1 4 Biso 0.435(31)
O9 O 0.74706(95) 0.28098(20) 0.02414(30) 1 4 Biso 0.435(31)
O10 O 0.4947(15) 0.25831(43) 0.19623(39) 1 4 Biso 0.435(31)
O11 O 0.1422(12) 0.29822(53) 0.40982(49) 1 4 Biso 0.435(31)
H1 H 0.04365 0.23863 0.39655 1 4 Biso 0.522(37)
H2 H 0.02025 0.34765 0.35972 1 4 Biso 0.522(37)

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
#-------------------------------------------------------------------------------
#Ti1O~6~ coordination
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
#Ti2O~6~ coordination
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
#P1O~4~ coordination
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
#P2O~4~ coordination
#-------------------------------------------------------------------------------
#------------------------------------------------------------------------------
# O-H bonds
#------------------------------------------------------------------------------
Ti1 O1 1.9045(2) . 2_545 yes
Ti1 O3 1.9517(2) . 2_545 yes
Ti1 O6 2.0380(2) . . yes
Ti1 O7 1.9065(2) . 2_645 yes
Ti1 O8 1.9742(2) . 2_545 yes
Ti1 O4 2.0251(2) . 3_554 yes
Ti2 O1 1.8083(2) . 2_645 yes
Ti2 O2 2.0630(2) . . yes
Ti2 O10 2.2484(2) . . yes
Ti2 O11 2.1704(2) . 3_554 yes
Ti2 O5 1.9427(2) . 3_554 yes
Ti2 O9 1.9687(2) . . yes
P1 O2 1.5928(1) . 2_655 yes
P1 O3 1.5524(1) . . yes
P1 O4 1.5279(1) . 1_666 yes
P1 O5 1.5767(1) . . yes
P2 O6 1.5761(1) . 2_655 yes
P2 O9 1.5445(1) . 1_665 yes
P2 O8 1.5289(1) . . yes
P2 O7 1.5004(1) . 1_665 yes
O11 H1 0.9800 . . no
O11 H2 0.9700 . . no
#------------------------------------------------------------------------------
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
#------------------------------------------------------------------------------
# O--Ti1--O bond angles
#------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# O--Ti2--O bond angles
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# O--P1--O bond angles
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# O--P2--O bond angles
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# Ti--O--P bond angles
#-------------------------------------------------------------------------------
O1 Ti1 O3 90.25(1) 2_545 . 2_545 yes
O1 Ti1 O6 85.67(1) 2_545 . . yes
O1 Ti1 O7 165.45(1) 2_545 . 2_645 yes
O1 Ti1 O8 75.52(1) 2_545 . 2_545 yes
O1 Ti1 O4 92.11(1) 2_545 . 3_554 yes
O3 Ti1 O6 175.65(1) 2_545 . . yes
O3 Ti1 O7 86.07(1) 2_545 . 2_645 yes
O3 Ti1 O8 93.74(1) 2_545 . 2_545 yes
O3 Ti1 O4 88.78(1) 2_545 . 3_554 yes
O6 Ti1 O7 97.51(1) . . 2_645 yes
O6 Ti1 O8 83.77(1) . . 2_545 yes
O4 Ti1 O6 92.89(1) 3_554 . . yes
O7 Ti1 O8 90.66(1) 2_645 . 2_545 yes
O4 Ti1 O7 101.87(1) 3_554 . 2_645 yes
O4 Ti1 O8 167.37(1) 3_554 . 2_545 yes
O1 Ti2 O2 86.77(1) 2_645 . . yes
O1 Ti2 O10 78.07(1) 2_645 . . yes
O1 Ti2 O11 164.58(1) 2_645 . 3_554 yes
O1 Ti2 O5 106.19(1) 2_645 . 3_554 yes
O1 Ti2 O9 99.14(1) 2_645 . . yes
O2 Ti2 O10 103.82(1) . . . yes
O2 Ti2 O11 82.00(1) . . 3_554 yes
O2 Ti2 O5 91.37(1) . . 3_554 yes
O2 Ti2 O9 169.25(1) . . . yes
O10 Ti2 O11 94.34(1) . . 3_554 yes
O5 Ti2 O10 164.52(1) 3_554 . . yes
O9 Ti2 O10 86.27(1) . . . yes
O5 Ti2 O11 84.70(1) 3_554 . 3_554 yes
O9 Ti2 O11 93.68(1) . . 3_554 yes
O5 Ti2 O9 78.38(1) 3_554 . . yes
O2 P1 O3 108.83(1) 2_655 . . yes
O2 P1 O4 109.12(1) 2_655 . 1_666 yes
O2 P1 O5 107.54(1) 2_655 . . yes
O3 P1 O4 115.08(1) . . 1_666 yes
O3 P1 O5 112.18(1) . . . yes
O4 P1 O5 103.76(1) 1_666 . . yes
O6 P2 O9 104.55(1) 2_655 . 1_665 yes
O6 P2 O8 110.73(1) 2_655 . . yes
O6 P2 O7 111.41(1) 2_655 . 1_665 yes
O8 P2 O9 105.59(1) . . 1_665 yes
O7 P2 O9 113.43(1) 1_665 . 1_665 yes
O7 P2 O8 110.83(1) 1_665 . . yes
Ti1 O1 Ti2 150.02(1) 2_555 . 2_655 yes
Ti2 O2 P1 139.82(1) . . 2_645 yes
Ti1 O3 P1 138.77(1) 2_555 . . yes
Ti1 O4 P1 133.71(1) 3_555 . 1_666 yes
Ti2 O5 P1 135.45(1) 3_555 . . yes
Ti1 O6 P2 138.83(1) . . 2_645 yes
Ti1 O7 P2 166.97(1) 2_655 . 1_665 yes
Ti1 O8 P2 131.86(1) 2_555 . . yes
Ti2 O9 P2 151.82(1) . . 1_665 yes
#-------------------------------------------------------------------------------
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
#------------------------------------------------------------------------------
#D   H   A   D - H  H...A   D...A    D - H...A  symm(A)
#------------------------------------------------------------------------------
O11 H1 O8 0.9800 1.7000 2.6577(2) 164.00 2_545 yes
O11 H1 O9 0.9800 2.5900 3.1100(3) 113.00 3_455 yes
O11 H2 O4 0.9700 1.9000 2.8224(3) 158.00 1_566 yes
O11 H2 O5 0.9700 2.3400 2.7819(3) 107.00 4_455 yes
#eoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoi#
_exptl_crystal_colour            white
_exptl_crystal_description       powder
_chemical_formula_moiety         '(Ti2 O) (P O4)2 (H2 O)2'
_exptl_crystal_recrystallization_method 'hydrothermal synthesis'
####################################################################### 
# 
# 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_pi_TiP_500
_database_code_depnum_ccdc_archive 'CCDC 2052480'
loop_
_audit_author_name
_audit_author_address
'Artem Babaryk'
;University of Oviedo
Spain
;
_audit_update_record             
;
2020-12-25 deposited with the CCDC.	2021-04-21 downloaded from the CCDC.
;
_chemical_name_systematic        'oxo-bis-titanium (iv) bis-phosphate'
_chemical_formula_sum            'O9 P2 Ti2'
_chemical_formula_iupac          'Ti2 P2 O9'
_chemical_formula_weight         301.68
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x, -y, -z'
2 '-x, y+1/2, -z+1/2'
3 'x, -y+1/2, z+1/2'
4 'x, y, z'

_cell_length_a                   5.1187(13)
_cell_length_b                   11.0600(21)
_cell_length_c                   14.4556(26)
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.645(17)
_cell_angle_gamma                90.0000
_cell_volume                     779.87(29)
_cell_formula_units_Z            4
_cell_measurement_temperature    773
_exptl_crystal_density_diffrn    2.56961(96)
_exptl_crystal_F_000             584.0
_pd_char_colour                  white
_diffrn_ambient_temperature      773

loop_
_diffrn_radiation_type
'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_measurement_device       "Malvern PANalytical X'Pert Pro"
_diffrn_radiation_probe          x-ray
_pd_meas_2theta_range_min        8.000
_pd_meas_2theta_range_max        80.566
_pd_meas_2theta_range_inc        0.026
_refine_ls_matrix_type           full
_refine_ls_goodness_of_fit_all   1.377
_refine_ls_number_restraints     42
_refine_ls_R_I_factor            0.011
_refine_ls_shift/su_max          0.001
_reflns_number_gt                406

_computing_structure_refinement  'TOPAS v.4.2 (Bruker AXS, 2009)'

_pd_proc_ls_prof_R_factor        0.030
_pd_proc_ls_prof_wR_factor       0.040
_pd_proc_ls_prof_wR_expected     0.029

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_symmetry_multiplicity
_atom_site_adp_type
_atom_site_U_iso_or_equiv
Ti1 Ti 0.2858(23) 0.18853(87) 0.04740(54) 1 4 Biso 2.10(21)
Ti2 Ti 0.1350(24) 0.4451(11) 0.15256(60) 1 4 Biso 2.10(21)
P1 P 0.2947(21) 0.66182(78) 0.02418(65) 1 4 Biso 2.10(21)
P2 P 0.1579(28) 0.5382(13) 0.37079(85) 1 4 Biso 2.10(21)
O1 O 0.0416(44) 0.7313(18) 0.00924(94) 1 4 Biso 2.10(21)
O2 O 0.8010(35) 0.4251(15) 0.06837(87) 1 4 Biso 2.10(21)
O3 O 0.3185(33) 0.5722(11) 0.11204(70) 1 4 Biso 2.10(21)
O4 O 0.4219(35) 0.2179(13) 0.45441(77) 1 4 Biso 2.10(21)
O5 O 0.2507(42) 0.4332(12) 0.45055(90) 1 4 Biso 2.10(21)
O6 O 0.1435(32) 0.0786(16) 0.1278(11) 1 4 Biso 2.10(21)
O7 O 0.1310(42) 0.4677(15) 0.27865(77) 1 4 Biso 2.10(21)
O8 O 0.6389(30) 0.1302(12) 0.1091(15) 1 4 Biso 2.10(21)
O9 O 0.2961(61) 0.3096(16) 0.1433(12) 1 4 Biso 2.10(21)


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
#-------------------------------------------------------------------------------
#Ti1O~6~ coordination
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
#Ti2O~4~ coordination
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
#P1O~4~ coordination
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
#P1O~4~ coordination
#-------------------------------------------------------------------------------
Ti1 O1 1.8529(5) . 1_565 yes
Ti1 O5 1.9112(5) . 3_554 yes
Ti1 O6 1.9680(5) . . yes
Ti1 O8 1.8711(5) . . yes
Ti1 O9 1.9166(5) . . yes
Ti1 O4 1.9827(5) . 3_554 yes
Ti2 O2 1.7865(5) . 4_455 yes
Ti2 O9 1.7352(4) . . yes
Ti2 O3 1.8802(5) . . yes
Ti2 O7 1.8461(5) . . yes
P1 O1 1.4649(4) . . yes
P1 O2 1.5990(4) . 1_665 yes
P1 O3 1.5864(4) . . yes
P1 O4 1.5207(4) . 2_655 yes
P2 O5 1.6036(4) . . yes
P2 O7 1.5133(4) . . yes
P2 O6 1.6122(4) . 2_555 yes
P2 O8 1.4207(4) . 2_655 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
#------------------------------------------------------------------------------
# O--Ti1--O bond angles
#------------------------------------------------------------------------------
#------------------------------------------------------------------------------
#O--Ti2--O bond angles
#------------------------------------------------------------------------------
#-----------------------------------------------------------------------------
#------------------------------------------------------------------------------
# O--P1--O bond angles
#------------------------------------------------------------------------------

#------------------------------------------------------------------------------
# O--P2--O bond angles
#------------------------------------------------------------------------------
#------------------------------------------------------------------------------
# Ti--O--P bond angles
#------------------------------------------------------------------------------
O1 Ti1 O5 98.15(2) 1_565 . 3_554 yes
O1 Ti1 O6 96.29(2) 1_565 . . yes
O1 Ti1 O8 171.58(1) 1_565 . . yes
O1 Ti1 O9 78.94(2) 1_565 . . yes
O1 Ti1 O4 84.68(2) 1_565 . 3_554 yes
O5 Ti1 O6 91.60(1) 3_554 . . yes
O5 Ti1 O8 88.23(1) 3_554 . . yes
O5 Ti1 O9 176.30(1) 3_554 . . yes
O4 Ti1 O5 81.10(1) 3_554 . 3_554 yes
O6 Ti1 O8 88.99(2) . . . yes
O6 Ti1 O9 86.47(1) . . . yes
O4 Ti1 O6 172.71(1) 3_554 . . yes
O8 Ti1 O9 94.89(1) . . . yes
O4 Ti1 O8 90.92(2) 3_554 . . yes
O4 Ti1 O9 100.81(1) 3_554 . . yes
O2 Ti2 O9 102.68(1) 4_455 . . yes
O2 Ti2 O3 110.22(1) 4_455 . . yes
O2 Ti2 O7 113.25(2) 4_455 . . yes
O3 Ti2 O9 109.13(2) . . . yes
O7 Ti2 O9 109.93(1) . . . yes
O3 Ti2 O7 111.25(1) . . . yes
Ti1 O9 Ti2 138.56(1) . . . yes
O1 P1 O2 99.15(2) . . 1_665 yes
O1 P1 O3 107.20(1) . . . yes
O1 P1 O4 124.23(2) . . 2_655 yes
O2 P1 O3 102.94(2) 1_665 . . yes
O2 P1 O4 116.55(1) 1_665 . 2_655 yes
O3 P1 O4 104.77(2) . . 2_655 yes
O5 P2 O7 100.83(2) . . . yes
O5 P2 O6 105.52(1) . . 2_555 yes
O5 P2 O8 109.43(2) . . 2_655 yes
O6 P2 O7 108.77(2) 2_555 . . yes
O7 P2 O8 114.51(1) . . 2_655 yes
O6 P2 O8 116.29(1) 2_555 . 2_655 yes
Ti1 O1 P1 163.17(1) 1_565 . . yes
Ti2 O2 P1 129.17(1) 4_655 . 1_665 yes
Ti2 O3 P1 142.39(1) . . . yes
Ti1 O4 P1 125.76(1) 3_555 . 2_645 yes
Ti1 O5 P2 168.08(1) 3_555 . . yes
Ti1 O6 P2 134.88(1) . . 2_545 yes
Ti2 O7 P2 156.01(1) . . . yes
Ti1 O8 P2 152.37(1) . . 2_645 yes
#------------------------------------------------------------------------------
#eoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoieoi-eoi#
_exptl_crystal_colour            white
_exptl_crystal_description       powder
_chemical_formula_moiety         '(Ti2 O) (P O4)2'
_exptl_crystal_recrystallization_method 'in situ HT-PXRD'
_chemical_properties_physical    Moisture-sensitive,Hygroscopic
