Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F
Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B.; Acta Crystallographica Section C 51 (1995) 549–551; doi:10.1107/S0108270194006906

data_2003333
_publ_section_title
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 Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              549
_journal_page_last               551
_journal_paper_doi               10.1107/S0108270194006906
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'F O12 P3 Sr5'
_chemical_formula_weight         739.79
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.7156(4)
_cell_length_b                   9.7156(4)
_cell_length_c                   7.2810(3)
_cell_measurement_reflns_used    46
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      19
_cell_measurement_theta_min      17
_cell_volume                     595.20(4)
_diffrn_measurement_device       'Stoe Stadi-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.075
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3682
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    23.73
_exptl_absorpt_correction_T_max  0.2043
_exptl_absorpt_correction_T_min  0.0817
_exptl_absorpt_correction_type   '\y scans of five reflections'
_exptl_crystal_colour            blue/purple
_exptl_crystal_density_diffrn    4.13
_exptl_crystal_description       Irregular
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.881
_refine_diff_density_min         -0.741
_refine_ls_extinction_coef       67(3)
_refine_ls_extinction_method     'secondary (Larson, 1970)'
_refine_ls_goodness_of_fit_obs   0.84
_refine_ls_number_parameters     51
_refine_ls_number_reflns         460
_refine_ls_R_factor_obs          0.023
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
'Weighting scheme: Chebychev polynomial with parameters 7.0, 8.44, 3.09'
_refine_ls_wR_factor_obs         0.029
_reflns_number_observed          460
_reflns_number_total             942
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1084.cif
_cod_data_source_block           SFAP
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room temperature' 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 temperature' 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 
;
_cod_original_cell_volume        595.19
_cod_database_code               2003333