#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007897.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007897
loop_
_publ_author_name
'Bolte, M.'
_publ_section_title
;
 SrNi3(P2O7)2
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i30
_journal_page_last               i31
_journal_paper_doi               10.1107/S1600536801005700
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     SrNi3(P2O7)2
_chemical_formula_sum            'Ni3 O14 P4 Sr'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.194
_cell_angle_gamma                90
_cell_length_a                   7.4116
_cell_length_b                   7.6542
_cell_length_c                   9.4486
_cell_formula_units_Z            2
_cell_volume                     496.304
_database_code_amcsd             0010355
_exptl_crystal_density_diffrn    4.092
_cod_original_formula_sum        'Sr Ni3 P4 O14'
_cod_database_code               9007897
_amcsd_formula_title             SrNi3(P2O7)2
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sr 0.50000 0.00000 0.00000 0.01074
Ni1 0.18424 0.62596 0.02578 0.00958
Ni2 0.00000 0.00000 0.00000 0.00934
P1 0.60256 0.44098 0.20097 0.00920
P2 0.88811 0.70400 0.19372 0.00911
O1 0.39757 0.47873 0.19242 0.01130
O2 0.62427 0.31912 0.08281 0.01178
O3 0.73161 0.38239 0.36484 0.01116
O4 0.67992 0.62943 0.17742 0.01120
O5 0.97336 0.57480 0.11291 0.01094
O6 0.99820 0.71065 0.36620 0.01111
O7 0.84443 0.87709 0.11085 0.01120
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010355
