An unusual nitride network of aluminum-centered octahedra and phosphorus-centered tetrahedra and structure determination from microcrystalline samples.
Neudert, Lukas; Heinke, Frank; Bräuniger, Thomas; Pucher, Florian J.; Vaughan, Gavin B.; Oeckler, Oliver; Schnick, Wolfgang; Chemical communications (Cambridge, England) 53 (2017) 2709–2712; doi:10.1039/c7cc00233e

data_7119629
_publ_section_title
;
 An unusual nitride network of aluminum-centered octahedra and
 phosphorus-centered tetrahedra and structure determination from
 microcrystalline samples.
;
_journal_issue                   18
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2709
_journal_page_last               2712
_journal_paper_doi               10.1039/c7cc00233e
_journal_volume                  53
_journal_year                    2017
_chemical_formula_moiety         'Al H2 N11 O P6'
_chemical_formula_sum            'Al H2 N11 O P6'
_chemical_formula_weight         384.93
_chemical_name_common            'aluminium oxonitridoimidophosphate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
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_diffrn_measurement_device_type  'Huber goniometer'
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_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_point_group_measured_fraction_full 0.947
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        11.599
_diffrn_reflns_theta_max         13.846
_diffrn_reflns_theta_min         2.061
_diffrn_source                   'ESRF beamline ID11'
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.100
_exptl_crystal_description       platelet
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_exptl_crystal_size_min          0.0004
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_refine_ls_number_reflns         1285
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_refine_ls_R_factor_all          0.0351
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0205P)^2^+0.1217P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0735
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1103
_reflns_number_total             1285
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc00233e2.cif
_cod_data_source_block           AlPONH
_cod_depositor_comments          'Adding full bibliography for 7119629.cif.'
_cod_database_code               7119629
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              42084
_shelx_hkl_checksum              6662