Rubidium zinc phosphate, RbZn~2~(PO~4~)(HPO~4~)
Yule, Lisa J.; Harrison, William T. A.; Acta Crystallographica Section E 57 (2001) i15–i16; doi:10.1107/S1600536801001386

data_2200087
_publ_section_title
;
 Rubidium zinc phosphate, RbZn~2~(PO~4~)(HPO~4~)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i15
_journal_page_last               i16
_journal_paper_doi               10.1107/S1600536801001386
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'Rb Zn2 (P O4) (H P O4)'
_chemical_formula_moiety         'Rb Zn2 (P O4) (H P O4)'
_chemical_formula_sum            'H O8 P2 Rb Zn2'
_chemical_formula_weight         407.17
_chemical_melting_point          'decomposes before melting'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.6850(10)
_cell_angle_beta                 77.487(2)
_cell_angle_gamma                73.4890(10)
_cell_formula_units_Z            2
_cell_length_a                   5.2605(4)
_cell_length_b                   8.9046(6)
_cell_length_c                   9.7244(7)
_cell_measurement_reflns_used    2016
_cell_measurement_temperature    298
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.18
_cell_volume                     417.89(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SMART
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997).
;
_computing_publication_material
;
CRYSTALS
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_computing_structure_refinement
;
CRYSTALS (Watkin et al., 1997)
;
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Bruker SMART1000 CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .033
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3620
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         .00
_diffrn_standards_decay_%        .00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.92
_exptl_absorpt_correction_T_max  .746
_exptl_absorpt_correction_T_min  .318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.236
_exptl_crystal_density_meas      ?
_exptl_crystal_description       rod
_exptl_crystal_F_000             383.37
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .05
_exptl_crystal_size_min          .04
_refine_diff_density_max         1.18
_refine_diff_density_min         -1.86
_refine_ls_extinction_coef       9(3)
_refine_ls_extinction_method     'Larson (1967) '
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     120
_refine_ls_number_reflns         2084
_refine_ls_R_factor_gt           .0537
_refine_ls_shift/su_max          .000430
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with   3 parameters (Carruthers & Watkin, 1979)
1.08 0.848 0.686
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0626
_reflns_number_gt                2084
_reflns_number_total             2385
_reflns_threshold_expression     I>\s(I)
_cod_data_source_file            br6003.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        417.89(6)
_cod_original_formula_sum        'H1 O8 P2 Rb1 Zn2'
_cod_database_code               2200087