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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/48/1534855.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_1534855
loop_
_publ_author_name
'Maass, K.'
'Gruehn, R.'
'Glaum, R.'
_publ_section_title
;
 Beitraege zum thermischen Verhalten und zur Kristallchemie von
 wasserfreien Phosphaten. XXXI. (Mg1-x Crx)2 P2 O7, Ca Cr P2 O7, Sr Cr P2
 O7 und Ba Cr P2 O7 - neue Diphosphate des zweiwertigen Chroms
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2081
_journal_page_last               2090
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ba Cr O7 P2'
_chemical_name_systematic        'Ba Cr (P2 O7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.33
_cell_angle_beta                 89.91
_cell_angle_gamma                93.62
_cell_formula_units_Z            2
_cell_length_a                   5.382
_cell_length_b                   7.271
_cell_length_c                   7.589
_cell_volume                     288.373
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Maass_ZAACAB_2001_131.cif
_cod_data_source_block           Ba1Cr1O7P2
_cod_original_cell_volume        288.3733
_cod_original_formula_sum        'Ba1 Cr1 O7 P2'
_cod_database_code               1534855
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O6 O-2 -0.262 0.384 0.403 1 0.0
P2 P+5 -0.2738 0.3259 0.596 1 0.0
O1 O-2 -0.058 0.111 0.198 1 0.0
Ba1 Ba+2 0.2268 0.26966 0.92634 1 0.0
Cr1 Cr+2 0.2092 0.1492 0.4003 1 0.0
P1 P+5 -0.2818 0.2343 0.2088 1 0.0
O4 O-2 -0.24 0.504 0.74 1 0.0
O3 O-2 -0.065 0.191 0.596 1 0.0
O2 O-2 0.476 0.117 0.202 1 0.0
O7 O-2 0.474 0.221 0.601 1 0.0
O5 O-2 -0.275 0.343 0.068 1 0.0
