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#$Date: 2016-04-18 01:34:18 +0300 (Mon, 18 Apr 2016) $
#$Revision: 182189 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/09/4030924.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4030924
loop_
_publ_author_name
'Weil, M.'
'Glaum, R.'
_publ_section_title
;
 Crystallization of ultraphosphates via the gas phase. The crystal
 structures of FeP₄O₁₁, ZnP₄O₁₁ and CdP₄O₁₁
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   6-7
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              495
_journal_page_last               508
_journal_paper_doi               10.1016/S0992-4361(98)80026-X
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'Cd O11 P4'
_chemical_formula_weight         412.3
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                89.96(2)
_cell_angle_beta                 117.12(2)
_cell_angle_gamma                90.14(2)
_cell_formula_units_Z            8
_cell_length_a                   13.311(3)
_cell_length_b                   13.334(2)
_cell_length_c                   10.865(2)
_cell_volume                     1716.4(6)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.346
_exptl_crystal_density_diffrn    3.191
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3540
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.100
_cod_data_source_file            EJSSIC-1998-35-495-508-3.cif
_cod_data_source_block           CdP4O11
_cod_depositor_comments
;
No atomic coordinates in the paper
Isostructural with FeP4O11
More info said to be available from FIZ; reference CSD-408827
at crysdata@FIZ-Karlsruhe.de
;
_cod_original_cell_volume        1716.1(6)
_cod_original_sg_symbol_Hall     '-C 1'
_cod_database_code               4030924
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cd Cd 0 0 0 0
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Fe Fe 0.3463 0.8444 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
