The langbeinite type Rb~2~TiY(PO~4~)~3~
Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Acta Crystallographica Section E 62 (2006) i160–i162; doi:10.1107/S1600536806021635

data_2209679
_publ_section_title
;
 The langbeinite type Rb~2~TiY(PO~4~)~3~
;
_journal_coeditor_code           WM2016
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i160
_journal_page_last               i162
_journal_paper_doi               10.1107/S1600536806021635
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'Rb2 Ti Y (P O4)3'
_chemical_formula_structural
;
Rb2 (Ti0.7 Yb0.3)(Ti0.3 Yb0.7) (P O4)3
;
_chemical_formula_sum            'O12 P3 Rb2 Ti Y'
_chemical_formula_weight         592.66
_chemical_name_systematic
;
Dirubidium titanium yttrium tris(phosphate)
;
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2674(4)
_cell_length_b                   10.2674(4)
_cell_length_c                   10.2674(4)
_cell_measurement_reflns_used    14
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      31.6
_cell_measurement_theta_min      25.0
_cell_volume                     1082.38(7)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997),
DIAMOND (Brandenburg, 2004) and
POV-RAY (Persistence of Vision Raytracer Pty. Ltd., 2004)
;
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       \k-geometry
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4075
_diffrn_reflns_theta_full        31.89
_diffrn_reflns_theta_max         31.89
_diffrn_reflns_theta_min         3.44
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    15.514
_exptl_absorpt_correction_T_max  0.8672
_exptl_absorpt_correction_T_min  0.8366
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(Alcock, 1970)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tetrahedron
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.606
_refine_diff_density_min         -0.832
_refine_ls_abs_structure_details 'Flack (1983), 539 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.012(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_matrix_type           full
_refine_ls_number_constraints    8
_refine_ls_number_parameters     60
_refine_ls_number_reflns         1254
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.04P)^2^+1.5P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0787
_reflns_number_gt                1091
_reflns_number_total             1254
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2016.cif
_cod_data_source_block           I
_cod_database_code               2209679
_cod_database_fobs_code          2209679