RbTi~2~(PO~4~)~3~
Duhlev, R.; Acta Crystallographica Section C 50 (1994) 1525–1527; doi:10.1107/S0108270194000788

data_2010095
_publ_section_title
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 RbTi~2~(PO~4~)~3~
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_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1525
_journal_page_last               1527
_journal_paper_doi               10.1107/S0108270194000788
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'O12 P3 Rb Ti2'
_chemical_formula_weight         466.14
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_atom_type_scat_source           'IntTabIV (for neutral atoms)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.2896(8)
_cell_length_b                   8.2896(8)
_cell_length_c                   23.530(4)
_cell_measurement_reflns_used    72
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      19
_cell_measurement_theta_min      13
_cell_volume                     1400.3(3)
_diffrn_measurement_device       'Stoe Stadi-4'
_diffrn_measurement_method       2\q-\w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            1543
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        5
_diffrn_standards_interval_time  50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.78
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.32
_exptl_crystal_description       rhombohedron
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.02
_refine_diff_density_min         -0.80
_refine_ls_extinction_coef       0.00250(10)
_refine_ls_extinction_method     'Larson (1967)'
_refine_ls_number_parameters     30
_refine_ls_number_reflns         319
_refine_ls_R_factor_obs          0.0277
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.001114F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0276
_reflns_number_observed          319
_reflns_number_total             660
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1070.cif
_cod_data_source_block           du1070_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.001114F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.001114F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2010095