Local and long-range order in ferroelastic lead phosphate at high pressure
Angel, R. J.; Bismayer, U.; Marshall, W. G.; Acta Crystallographica Section B 60 (2004) 1–9; doi:10.1107/S0108768103026582

data_2102242
_publ_section_title
;
 Local and long-range order in ferroelastic lead phosphate at high
 pressure
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1107/S0108768103026582
_journal_volume                  60
_journal_year                    2004
_chemical_formula_analytical     'Pb3 P2 O8'
_chemical_formula_structural     'Pb3 (PO4)2'
_chemical_formula_sum            'O8 P2 Pb3'
_chemical_formula_weight         801.86
_chemical_name_common            'Lead phosphate'
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 102.356(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.7990(6)
_cell_length_b                   5.6915(2)
_cell_length_c                   9.4197(4)
_cell_measurement_pressure       100.
_cell_measurement_temperature    298
_cell_volume                     722.66(5)
_computing_data_collection       'Standard ISIS instrument control program.'
_computing_data_reduction        'GSAS and in-house data focussing routines.'
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  none
_exptl_absorpt_correction_T_max  0.92430
_exptl_absorpt_correction_T_min  0.61471
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 Debye-Scherrer absorption correction
Term (= MU.r/wave) =     0.59323E-01
Correction is refined.
;
_refine_ls_goodness_of_fit_all   0.97
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_refine_ls_number_parameters     43
_refine_ls_number_restraints     10
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_reflns_number_observed          1876
_cod_data_source_file            ws5002.cif
_cod_data_source_block           S2P0_PEARL
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (187
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (187
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        722.65601
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2102242