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#$Date: 2015-10-13 16:24:12 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167143 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538528.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_1538528
loop_
_publ_author_name
'Robertson, B.E.'
'Calvo, C.'
_publ_section_title
;
 Crystal structure of beta - Cu2 P2 O7
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              605
_journal_page_last               612
_journal_volume                  46
_journal_year                    1968
_chemical_formula_sum            'Cu2 O7 P2'
_chemical_name_systematic        'Cu2 (P2 O7)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.85
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.827
_cell_length_b                   8.118
_cell_length_c                   4.576
_cell_volume                     240.008
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Robertson_CJCHAG_1968_1876.cif
_cod_data_source_block           Cu2O7P2
_cod_original_cell_volume        240.0076
_cod_database_code               1538528
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
P1 P+5 0.1998 0 -0.0883 1 0.0
O1 O-2 0 0 0 1 0.0
O3 O-2 0.2035 0.1533 -0.2708 1 0.0
O2 O-2 0.3759 0 0.2161 1 0.0
Cu1 Cu+2 0 0.3122 0.5 1 0.0
